TY - THES A1 - Hennig, Theresa T1 - Uranium migration in the Opalinus Clay quantified on the host rock scale with reactive transport simulations T1 - Uranmigration im Opalinuston quantifiziert für die Wirtsgesteinsskala mit reaktiven Transportsimulationen N2 - Humankind and their environment need to be protected from the harmful effects of spent nuclear fuel, and therefore disposal in deep geological formations is favoured worldwide. Suitability of potential host rocks is evaluated, among others, by the retention capacity with respect to radionuclides. Safety assessments are based on the quantification of radionuclide migration lengths with numerical simulations as experiments cannot cover the required temporal (1 Ma) and spatial scales (>100 m). Aim of the present thesis is to assess the migration of uranium, a geochemically complex radionuclide, in the potential host rock Opalinus Clay. Radionuclide migration in clay formations is governed by diffusion due to their low permeability and retarded by sorption. Both processes highly depend on pore water geochemistry and mineralogy that vary between different facies. Diffusion is quantified with the single-component (SC) approach using one diffusion coefficient for all species and the process-based multi-component (MC) option. With this, each species is assigned its own diffusion coefficient and the interaction with the diffuse double layer is taken into account. Sorption is integrated via a bottom-up approach using mechanistic surface complexation models and cation exchange. Therefore, reactive transport simulations are conducted with the geochemical code PHREEQC to quantify uranium migration, i.e. diffusion and sorption, as a function of mineralogical and geochemical heterogeneities on the host rock scale. Sorption processes are facies dependent. Migration lengths vary between the Opalinus Clay facies by up to 10 m. Thereby, the geochemistry of the pore water, in particular the partial pressure of carbon dioxide (pCO2), is more decisive for the sorption capacity than the amount of clay minerals. Nevertheless, higher clay mineral quantities compensate geochemical variations. Consequently, sorption processes must be quantified as a function of pore water geochemistry in contact with the mineral assemblage. Uranium diffusion in the Opalinus Clay is facies independent. Speciation is dominated by aqueous ternary complexes of U(VI) with calcium and carbonate. Differences in the migration lengths between SC and MC diffusion are with +/-5 m negligible. Further, the application of the MC approach highly depends on the quality and availability of the underlying data. Therefore, diffusion processes can be adequately quantified with the SC approach using experimentally determined diffusion coefficients. The hydrogeological system governs pore water geochemistry within the formation rather than the mineralogy. Diffusive exchange with the adjacent aquifers established geochemical gradients over geological time scales that can enhance migration by up to 25 m. Consequently, uranium sorption processes must be quantified following the identified priority: pCO2 > hydrogeology > mineralogy. The presented research provides a workflow and orientation for other potential disposal sites with similar pore water geochemistry due to the identified mechanisms and dependencies. With a maximum migration length of 70 m, the retention capacity of the Opalinus Clay with respect to uranium is sufficient to fulfill the German legal minimum requirement of a thickness of at least 100 m. N2 - Zum Schutz von Mensch und Umwelt vor den schädlichen Auswirkungen abgebrannter Brennelemente, wird weltweit die Endlagerung in tiefen geologischen Formationen favorisiert. Daher ist das Rückhaltevermögen potenzieller Wirtsgesteine gegenüber Radionukliden ein wichtiges Kriterium. Sicherheitsbewertungen basieren auf der Quantifizierung der Migration mit numerischen Simulationen, da Experimente die erforderlichen zeitlichen (1 Ma) und räumlichen Skalen (>100 m) nicht abdecken können. Ziel der Dissertation ist es, die Migration des geochemisch komplexen Radionuklids Uran im potenziellen Wirtsgestein Opalinuston zu bewerten. In Tonformationen wird die Radionuklidmigration aufgrund der geringen Durchlässigkeit von Diffusion bestimmt und durch Sorption verzögert. Beide Prozesse hängen stark von der Porenwassergeochemie und Mineralogie ab, die zwischen verschiedenen Fazies variieren. Die Diffusion wird mit dem Einkomponenten- (SC) und Mehrkomponentenansatz (MC) quantifiziert. Nach dem SC-Ansatz wird ein Diffusionskoeffizient für alle Spezies verwendet, wohingegen mit der MC-Option individuelle Werte zugewiesen und die Interaktion mit der diffusen Doppelschicht berücksichtigt wird. Die Sorption ist mit Hilfe mechanistischer Oberflächenkomplexierungsmodelle und Kationenaustausch integriert. Die Durchführung reaktiver Transportsimulationen mit dem Code PHREEQC ermöglicht die Quantifizierung der Uranmigration, d. h. Diffusion und Sorption, in Abhängigkeit der Mineralogie und Porenwassergeochemie für die Wirtsgesteinsskala. Sorptionsprozesse sind faziesabhängig. Die Migrationslängen variieren um bis zu 10 m zwischen den Fazies aufgrund von Unterschieden in der Porenwassergeochemie. Dabei ist insbesondere der Partialdruck des Kohlendioxids (pCO2) entscheidender für die Sorptionskapazität als die Menge an Tonmineralen. Allerdings kompensieren höhere Tonmineralmengen geochemische Schwankungen. Folglich müssen Sorptionsprozesse in Abhängigkeit der Porenwassergeochemie quantifiziert werden. Urandiffusion ist faziesunabhängig. Die Speziation wird durch aquatische ternäre Komplexe von U(VI) mit Kalzium und Karbonat dominiert. Die Unterschiede in den Migrationslängen zwischen SC- und MC-Diffusion sind mit +/-5 m vernachlässigbar. Die Anwendung des MC-Ansatzes hängt stark von der Qualität und Verfügbarkeit der zugrunde liegenden Daten ab. Diffusionsprozesse können also mit dem SC-Ansatz unter Verwendung experimentell ermittelter Diffusionskoeffizienten quantifiziert werden. Haupteinflussfaktor auf die Porenwassergeochemie ist das hydrogeologische System und nicht die Mineralogie. Der diffusive Austausch mit den angrenzenden Aquiferen hat über geologische Zeiträume geochemische Gradienten geschaffen, die die Migration um bis zu 25 m verlängern können. Folglich müssen Sorptionsprozesse nach der identifizierten Priorität quantifiziert werden: pCO2 > Hydrogeologie > Mineralogie. Die ermittelten Abhängigkeiten dienen als Orientierung für andere potenzielle Endlagerstandorte mit ähnlicher Porenwassergeochemie. Mit einer maximalen Migration von 70 m reicht das Rückhaltevermögen des Opalinustons gegenüber Uran aus, um die deutsche gesetzliche Mindestanforderung von 100 m Mächtigkeit zu erfüllen. KW - uranium KW - Opalinus Clay KW - PHREEQC KW - diffusion KW - sorption KW - nuclear waste disposal KW - reactive transport simulation KW - host rock scale KW - Opalinuston KW - PHREEQC KW - Diffusion KW - Wirtsgesteinsskala KW - Endlagerung nuklearer Abfälle KW - reaktive Transportsimulation KW - Sorption KW - Uran Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-552700 ER - TY - JOUR A1 - Sposini, Vittoria A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb A1 - Seno, Flavio T1 - Universal spectral features of different classes of random-diffusivity processes JF - New Journal of Physics N2 - Stochastic models based on random diffusivities, such as the diffusing-diffusivity approach, are popular concepts for the description of non-Gaussian diffusion in heterogeneous media. Studies of these models typically focus on the moments and the displacement probability density function. Here we develop the complementary power spectral description for a broad class of random-diffusivity processes. In our approach we cater for typical single particle tracking data in which a small number of trajectories with finite duration are garnered. Apart from the diffusing-diffusivity model we study a range of previously unconsidered random-diffusivity processes, for which we obtain exact forms of the probability density function. These new processes are different versions of jump processes as well as functionals of Brownian motion. The resulting behaviour subtly depends on the specific model details. Thus, the central part of the probability density function may be Gaussian or non-Gaussian, and the tails may assume Gaussian, exponential, log-normal, or even power-law forms. For all these models we derive analytically the moment-generating function for the single-trajectory power spectral density. We establish the generic 1/f²-scaling of the power spectral density as function of frequency in all cases. Moreover, we establish the probability density for the amplitudes of the random power spectral density of individual trajectories. The latter functions reflect the very specific properties of the different random-diffusivity models considered here. Our exact results are in excellent agreement with extensive numerical simulations. KW - diffusion KW - power spectrum KW - random diffusivity KW - single trajectories Y1 - 2020 U6 - https://doi.org/10.1088/1367-2630/ab9200 SN - 1367-2630 VL - 22 IS - 6 PB - Dt. Physikalische Ges. CY - Bad Honnef ER - TY - GEN A1 - Sposini, Vittoria A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb A1 - Seno, Flavio T1 - Universal spectral features of different classes of random-diffusivity processes T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - Stochastic models based on random diffusivities, such as the diffusing-diffusivity approach, are popular concepts for the description of non-Gaussian diffusion in heterogeneous media. Studies of these models typically focus on the moments and the displacement probability density function. Here we develop the complementary power spectral description for a broad class of random-diffusivity processes. In our approach we cater for typical single particle tracking data in which a small number of trajectories with finite duration are garnered. Apart from the diffusing-diffusivity model we study a range of previously unconsidered random-diffusivity processes, for which we obtain exact forms of the probability density function. These new processes are different versions of jump processes as well as functionals of Brownian motion. The resulting behaviour subtly depends on the specific model details. Thus, the central part of the probability density function may be Gaussian or non-Gaussian, and the tails may assume Gaussian, exponential, log-normal, or even power-law forms. For all these models we derive analytically the moment-generating function for the single-trajectory power spectral density. We establish the generic 1/f²-scaling of the power spectral density as function of frequency in all cases. Moreover, we establish the probability density for the amplitudes of the random power spectral density of individual trajectories. The latter functions reflect the very specific properties of the different random-diffusivity models considered here. Our exact results are in excellent agreement with extensive numerical simulations. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 999 KW - diffusion KW - power spectrum KW - random diffusivity KW - single trajectories Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-476960 SN - 1866-8372 IS - 999 ER - TY - JOUR A1 - Wang, Wei A1 - Seno, Flavio A1 - Sokolov, Igor M. A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Unexpected crossovers in correlated random-diffusivity processes JF - New Journal of Physics N2 - The passive and active motion of micron-sized tracer particles in crowded liquids and inside living biological cells is ubiquitously characterised by 'viscoelastic' anomalous diffusion, in which the increments of the motion feature long-ranged negative and positive correlations. While viscoelastic anomalous diffusion is typically modelled by a Gaussian process with correlated increments, so-called fractional Gaussian noise, an increasing number of systems are reported, in which viscoelastic anomalous diffusion is paired with non-Gaussian displacement distributions. Following recent advances in Brownian yet non-Gaussian diffusion we here introduce and discuss several possible versions of random-diffusivity models with long-ranged correlations. While all these models show a crossover from non-Gaussian to Gaussian distributions beyond some correlation time, their mean squared displacements exhibit strikingly different behaviours: depending on the model crossovers from anomalous to normal diffusion are observed, as well as a priori unexpected dependencies of the effective diffusion coefficient on the correlation exponent. Our observations of the non-universality of random-diffusivity viscoelastic anomalous diffusion are important for the analysis of experiments and a better understanding of the physical origins of 'viscoelastic yet non-Gaussian' diffusion. KW - diffusion KW - anomalous diffusion KW - non-Gaussianity KW - fractional Brownian motion Y1 - 2020 U6 - https://doi.org/10.1088/1367-2630/aba390 SN - 1367-2630 VL - 22 PB - Dt. Physikalische Ges. CY - Bad Honnef ER - TY - GEN A1 - Wang, Wei A1 - Seno, Flavio A1 - Sokolov, Igor M. A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Unexpected crossovers in correlated random-diffusivity processes N2 - The passive and active motion of micron-sized tracer particles in crowded liquids and inside living biological cells is ubiquitously characterised by 'viscoelastic' anomalous diffusion, in which the increments of the motion feature long-ranged negative and positive correlations. While viscoelastic anomalous diffusion is typically modelled by a Gaussian process with correlated increments, so-called fractional Gaussian noise, an increasing number of systems are reported, in which viscoelastic anomalous diffusion is paired with non-Gaussian displacement distributions. Following recent advances in Brownian yet non-Gaussian diffusion we here introduce and discuss several possible versions of random-diffusivity models with long-ranged correlations. While all these models show a crossover from non-Gaussian to Gaussian distributions beyond some correlation time, their mean squared displacements exhibit strikingly different behaviours: depending on the model crossovers from anomalous to normal diffusion are observed, as well as a priori unexpected dependencies of the effective diffusion coefficient on the correlation exponent. Our observations of the non-universality of random-diffusivity viscoelastic anomalous diffusion are important for the analysis of experiments and a better understanding of the physical origins of 'viscoelastic yet non-Gaussian' diffusion. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1006 KW - diffusion KW - anomalous diffusion KW - non-Gaussianity KW - fractional Brownian motion Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-480049 SN - 1866-8372 IS - 1006 ER - TY - JOUR A1 - Beta, Carsten T1 - To turn or not to turn? JF - NEW JOURNAL OF PHYSICS N2 - Bacteria typically swim in straight runs, interruped by sudden turning events. In particular, some species are limited to a reversal in the swimming direction as the only turning maneuver at their disposal. In a recent article, Grossmann et al (2016 New J. Phys. 18 043009) introduce a theoretical framework to analyze the diffusive properties of active particles following this type of run-and-reverse pattern. Based on a stochastic clock model to mimic the regulatory pathway that triggers reversal events, they show that a run-and-reverse swimmer can optimize its diffusive spreading by tuning the reversal rate according to the level of rotational noise. With their approach, they open up promising new perspectives of how to incorporate the dynamics of intracellular signaling into coarse-grained active particle descriptions. KW - bacterial swimming KW - random walks KW - diffusion KW - stochastic models Y1 - 2016 U6 - https://doi.org/10.1088/1367-2630/18/5/051003 SN - 1367-2630 VL - 18 SP - 1 EP - 17 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Cherstvy, Andrey G. A1 - Vinod, Deepak A1 - Aghion, Erez A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Time averaging, ageing and delay analysis of financial time series JF - New journal of physics N2 - We introduce three strategies for the analysis of financial time series based on time averaged observables. These comprise the time averaged mean squared displacement (MSD) as well as the ageing and delay time methods for varying fractions of the financial time series. We explore these concepts via statistical analysis of historic time series for several Dow Jones Industrial indices for the period from the 1960s to 2015. Remarkably, we discover a simple universal law for the delay time averaged MSD. The observed features of the financial time series dynamics agree well with our analytical results for the time averaged measurables for geometric Brownian motion, underlying the famed Black–Scholes–Merton model. The concepts we promote here are shown to be useful for financial data analysis and enable one to unveil new universal features of stock market dynamics. KW - time averaging KW - diffusion KW - geometric Brownian motion KW - financial time series Y1 - 2017 U6 - https://doi.org/10.1088/1367-2630/aa7199 SN - 1367-2630 VL - 19 SP - 1 EP - 11 PB - IOP CY - London ER - TY - GEN A1 - Cherstvy, Andrey G. A1 - Vinod, Deepak A1 - Aghion, Erez A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Time averaging, ageing and delay analysis of financial time series N2 - We introduce three strategies for the analysis of financial time series based on time averaged observables. These comprise the time averaged mean squared displacement (MSD) as well as the ageing and delay time methods for varying fractions of the financial time series. We explore these concepts via statistical analysis of historic time series for several Dow Jones Industrial indices for the period from the 1960s to 2015. Remarkably, we discover a simple universal law for the delay time averaged MSD. The observed features of the financial time series dynamics agree well with our analytical results for the time averaged measurables for geometric Brownian motion, underlying the famed Black–Scholes–Merton model. The concepts we promote here are shown to be useful for financial data analysis and enable one to unveil new universal features of stock market dynamics. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 347 KW - diffusion KW - financial time series KW - geometric Brownian motion KW - time averaging Y1 - 2017 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-400541 ER - TY - JOUR A1 - Cherstvy, Andrey G. A1 - Vinod, Deepak A1 - Aghion, Erez A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Time averaging, ageing and delay analysis of financial time series JF - New journal of physics : the open-access journal for physics N2 - We introduce three strategies for the analysis of financial time series based on time averaged observables. These comprise the time averaged mean squared displacement (MSD) as well as the ageing and delay time methods for varying fractions of the financial time series. We explore these concepts via statistical analysis of historic time series for several Dow Jones Industrial indices for the period from the 1960s to 2015. Remarkably, we discover a simple universal law for the delay time averaged MSD. The observed features of the financial time series dynamics agree well with our analytical results for the time averaged measurables for geometric Brownian motion, underlying the famed Black-Scholes-Merton model. The concepts we promote here are shown to be useful for financial data analysis and enable one to unveil new universal features of stock market dynamics. KW - time averaging KW - diffusion KW - geometric Brownian motion KW - financial time series Y1 - 2017 U6 - https://doi.org/10.1088/1367-2630/aa7199 SN - 1367-2630 VL - 19 SP - 135 EP - 147 PB - IOP Publ. Ltd. CY - Bristol ER - TY - THES A1 - Sposini, Vittoria T1 - The random diffusivity approach for diffusion in heterogeneous systems N2 - The two hallmark features of Brownian motion are the linear growth < x2(t)> = 2Ddt of the mean squared displacement (MSD) with diffusion coefficient D in d spatial dimensions, and the Gaussian distribution of displacements. With the increasing complexity of the studied systems deviations from these two central properties have been unveiled over the years. Recently, a large variety of systems have been reported in which the MSD exhibits the linear growth in time of Brownian (Fickian) transport, however, the distribution of displacements is pronouncedly non-Gaussian (Brownian yet non-Gaussian, BNG). A similar behaviour is also observed for viscoelastic-type motion where an anomalous trend of the MSD, i.e., ~ ta, is combined with a priori unexpected non-Gaussian distributions (anomalous yet non-Gaussian, ANG). This kind of behaviour observed in BNG and ANG diffusions has been related to the presence of heterogeneities in the systems and a common approach has been established to address it, that is, the random diffusivity approach. This dissertation explores extensively the field of random diffusivity models. Starting from a chronological description of all the main approaches used as an attempt of describing BNG and ANG diffusion, different mathematical methodologies are defined for the resolution and study of these models. The processes that are reported in this work can be classified in three subcategories, i) randomly-scaled Gaussian processes, ii) superstatistical models and iii) diffusing diffusivity models, all belonging to the more general class of random diffusivity models. Eventually, the study focuses more on BNG diffusion, which is by now well-established and relatively well-understood. Nevertheless, many examples are discussed for the description of ANG diffusion, in order to highlight the possible scenarios which are known so far for the study of this class of processes. The second part of the dissertation deals with the statistical analysis of random diffusivity processes. A general description based on the concept of moment-generating function is initially provided to obtain standard statistical properties of the models. Then, the discussion moves to the study of the power spectral analysis and the first passage statistics for some particular random diffusivity models. A comparison between the results coming from the random diffusivity approach and the ones for standard Brownian motion is discussed. In this way, a deeper physical understanding of the systems described by random diffusivity models is also outlined. To conclude, a discussion based on the possible origins of the heterogeneity is sketched, with the main goal of inferring which kind of systems can actually be described by the random diffusivity approach. N2 - Die zwei grundlegenden Eigenschaften der Brownschen Molekularbewegung sind das lineare Wachstum < x2(t)> = 2Ddt der mittleren quadratischen Verschiebung (mean squared displacement, MSD) mit dem Diffusionskoeffizienten D in Dimension d und die Gauß Verteilung der räumlichen Verschiebung. Durch die zunehmende Komplexität der untersuchten Systeme wurden in den letzten Jahren Abweichungen von diesen zwei grundlegenden Eigenschaften gefunden. Hierbei, wurde über eine große Anzahl von Systemen berichtet, in welchen die MSD das lineare Wachstum der Brownschen Bewegung (Ficksches Gesetzt) zeigt, jedoch die Verteilung der Verschiebung nicht einer Gaußverteilung folgt (Brownian yet non-Gaussian, BNG). Auch in viskoelastischen Systemen Bewegung wurde ein analoges Verhalten beobachtet. Hier ist ein anomales Verhalten des MSD, ~ ta, in Verbindung mit einer a priori unerwarteten nicht gaußchen Verteilung (anomalous yet non-Gaussian, ANG). Dieses Verhalten, welches sowohl in BNG- als auch in ANG-Diffusion beobachtet wird, ist auf eine Heterogenität in den Systemen zurückzuführen. Um diese Systeme zu beschreiben, wurde ein einheitlicher Ansatz, basierend auf den Konzept der zufälligen Diffusivität, entwickelt. Die vorliegende Dissertation widmet sich ausführlich Modellen mit zufälligen Diffusivität. Ausgehend von einem chronologischen Überblick der grundlegenden Ansätze der Beschreibung der BNG- und ANG-Diffusion werden mathematische Methoden entwickelt, um die verschiedenen Modelle zu untersuchen. Die in dieser Arbeit diskutierten Prozesse können in drei Kategorien unterteil werden: i) randomly-scaled Gaussian processes, ii) superstatistical models und iii) diffusing diffusivity models, welche alle zu den allgemeinen Modellen mit zufälligen Diffusivität gehören. Der Hauptteil dieser Arbeit ist die Untersuchung auf die BNG Diffusion, welche inzwischen relativ gut verstanden ist. Dennoch werden auch viele Beispiele für die Beschreibung von ANG-Diffusion diskutiert, um die Möglichkeiten der Analyse solcher Prozesse aufzuzeigen. Der zweite Teil der Dissertation widmet sich der statistischen Analyse von Modellen mit zufälligen Diffusivität. Eine allgemeine Beschreibung basierend auf dem Konzept der momenterzeugenden Funktion wurde zuerst herangezogen, um grundsätzliche statistische Eigenschaften der Modelle zu erhalten. Anschließend konzentriert sich die Diskussion auf die Analyse der spektralen Leistungsdichte und der first passage Statistik für einige spezielle Modelle mit zufälligen Diffusivität. Diese Ergebnisse werden mit jenen der normalen Brownschen Molekularbewegung verglichen. Dadurch wird ein tiefergehendes physikalisches Verständnis über die Systeme erlangt, welche durch ein Modell mit zufälligen Diffusivität beschrieben werden. Abschließend, zeigt eine Diskussion mögliche Ursachen für die Heterogenität auf, mit dem Ziel darzustellen, welche Arten von Systemen durch den Zufalls-Diffusivitäts-Ansatz beschrieben werden können. N2 - Las dos características distintivas del movimiento Browniano son el crecimiento lineal < x2(t)> = 2Ddt del desplazamiento cuadrático medio (mean squared displacement}, MSD) con el coeficiente de difusión D en dimensiones espaciales d, y la distribución Gaussiana de los desplazamientos. Con los continuos avances en tecnologías experimentales y potencia de cálculo, se logra estudiar con mayor detalle sistemas cada vez más complejos y algunos sistemas revelan desviaciones de estas dos propiedades centrales. En los últimos años se ha observado una gran variedad de sistemas en los que el MSD presenta un crecimiento lineal en el tiempo (típico del transporte Browniano), no obstante, la distribución de los desplazamientos es pronunciadamente no Gaussiana (Brownian yet non-Gaussian diffusion}, BNG). Un comportamiento similar se observa asimismo en el caso del movimiento de tipo viscoelástico, en el que se combina una tendencia anómala del MSD, es decir, ~ ta, con a, con distribuciones inesperadamente no Gaussianas (Anomalous yet non-Gaussian diffusion, ANG). Este tipo de comportamiento observado en las difusiones BNG y ANG se ha relacionado con la presencia de heterogeneidades en los sistemas y se ha establecido un enfoque común para abordarlo: el enfoque de difusividad aleatoria. En la primera parte de esta disertación se explora extensamente el área de los modelos de difusividad aleatoria. A través de una descripción cronológica de los principales enfoques utilizados para caracterizar las difusiones BNG y ANG, se definen diferentes metodologías matemáticas para la resolución y el estudio de estos modelos. Los procesos expuestos en este trabajo, pertenecientes a la clase más general de modelos de difusividad aleatoria, pueden clasificarse en tres subcategorías: i) randomly-scaled Gaussian processes, ii) superstatistical models y iii) diffusing diffusivity models. Fundamentalmente el enfoque de este trabajo se centra en la difusión BNG, bien establecida y ampliamente estudiada en los últimos años. No obstante, múltiples ejemplos son examinados para la descripción de la difusión ANG, a fin de remarcar los diferentes modelos de estudio disponibles hasta el momento. En la segunda parte de la disertación se desarolla el análisis estadístico de los procesos de difusividad aleatoria. Inicialmente se expone una descripción general basada en el concepto de la función generadora de momentos para obtener las propiedades estadísticas estándar de los modelos. A continuación, la discusión aborda el estudio de la densidad espectral de potencia y la estadística del tiempo de primer paso para algunos modelos de difusividad aleatoria. Adicionalmente, los resultados del método de difusividad aleatoria se comparan junto a los de movimiento browniano estándar. Como resultado, se obtiene una mayor comprensión física de los sistemas descritos por los modelos de difusividad aleatoria. Para concluir, se presenta una discusión acerca de los posibles orígenes de la heterogeneidad, con el objetivo principal de inferir qué tipo de sistemas pueden describirse apropiadamente según el enfoque de la difusividad aleatoria. KW - diffusion KW - non-gaussianity KW - random diffusivity KW - power spectral analysis KW - first passage KW - Diffusion KW - zufälligen Diffusivität KW - spektrale Leistungsdichte KW - first passage KW - Heterogenität Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-487808 ER - TY - GEN A1 - Gallego-Llorente, Marcos A1 - Sarah, Connell A1 - Jones, Eppie R. A1 - Merrett, Deborah C. A1 - Jeon, Y. A1 - Eriksson, Anders A1 - Siska, Veronika A1 - Gamba, Cristina A1 - Meiklejohn, Christopher A1 - Beyer, Robert A1 - Jeon, Sungwon A1 - Cho, Yun Sung A1 - Hofreiter, Michael A1 - Bhak, Jong A1 - Manica, Andrea A1 - Pinhasi, Ron T1 - The genetics of an early Neolithic pastoralist from the Zagros, Iran T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - The agricultural transition profoundly changed human societies. We sequenced and analysed the first genome (1.39x) of an early Neolithic woman from Ganj Dareh, in the Zagros Mountains of Iran, a site with early evidence for an economy based on goat herding, ca. 10,000 BP. We show that Western Iran was inhabited by a population genetically most similar to hunter-gatherers from the Caucasus, but distinct from the Neolithic Anatolian people who later brought food production into Europe. The inhabitants of Ganj Dareh made little direct genetic contribution to modern European populations, suggesting those of the Central Zagros were somewhat isolated from other populations of the Fertile Crescent. Runs of homozygosity are of a similar length to those from Neolithic farmers, and shorter than those of Caucasus and Western Hunter-Gatherers, suggesting that the inhabitants of Ganj Dareh did not undergo the large population bottleneck suffered by their northern neighbours. While some degree of cultural diffusion between Anatolia, Western Iran and other neighbouring regions is possible, the genetic dissimilarity between early Anatolian farmers and the inhabitants of Ganj Dareh supports a model in which Neolithic societies in these areas were distinct. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 952 KW - whole-genome association KW - ancient KW - domestication KW - agriculture KW - mountains KW - diffusion KW - migration KW - admixture KW - patterns KW - sequence KW - archaeology KW - biological anthropology Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-439355 SN - 1866-8372 IS - 952 ER - TY - JOUR A1 - Pohlenz, Philipp A1 - Niedermeier, Frank T1 - The Bologna Process and the harmonisation of higher education systems in other world regions BT - a case from Southeast Asia JF - Innovation : the European journal of social sciences N2 - The Bologna Process has inspired harmonisation strategies for higher education systems in other parts of the world. However, developments in other contexts are not much under review in the European debate. The present article describes the case of Southeast Asia and the attempt to promote harmonisation of its higher education systems. It further compares the processes in ASEAN and the European Higher Education Area to then discuss open questions for future comparative research. To do so the authors re-contextualise data from a study in ASEAN against the background of future research needs in the field of higher education harmonisation. KW - ASEAN KW - Bologna Process KW - European Higher Education Area KW - higher education KW - quality assurance KW - harmonisation KW - regionalisation KW - diffusion KW - mobility Y1 - 2019 U6 - https://doi.org/10.1080/13511610.2019.1637248 SN - 1351-1610 SN - 1469-8412 VL - 32 IS - 4 SP - 481 EP - 494 PB - Routledge, Taylor & Francis Group CY - Abingdon ER - TY - GEN A1 - Shprits, Yuri Y. A1 - Menietti, J. D. A1 - Drozdov, Alexander A1 - Horne, Richard B. A1 - Woodfield, Emma E. A1 - Groene, J. B. A1 - de Soria-Santacruz, M. A1 - Averkamp, T. F. A1 - Garrett, H. A1 - Paranicas, C. A1 - Gurnett, Don A. T1 - Strong whistler mode waves observed in the vicinity of Jupiter's moons T2 - Postprints der Universität Potsdam Mathematisch-Naturwissenschaftliche Reihe N2 - Understanding of wave environments is critical for the understanding of how particles are accelerated and lost in space. This study shows that in the vicinity of Europa and Ganymede, that respectively have induced and internal magnetic fields, chorus wave power is significantly increased. The observed enhancements are persistent and exceed median values of wave activity by up to 6 orders of magnitude for Ganymede. Produced waves may have a pronounced effect on the acceleration and loss of particles in the Jovian magnetosphere and other astrophysical objects. The generated waves are capable of significantly modifying the energetic particle environment, accelerating particles to very high energies, or producing depletions in phase space density. Observations of Jupiter's magnetosphere provide a unique opportunity to observe how objects with an internal magnetic field can interact with particles trapped in magnetic fields of larger scale objects. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 695 KW - electron acceleration KW - magnetic-field KW - diffusion KW - magnetosphere KW - Ganymede Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-426278 SN - 1866-8372 IS - 695 ER - TY - GEN A1 - Xu, Pengbo A1 - Zhou, Tian A1 - Metzler, Ralf A1 - Deng, Weihua T1 - Stochastic harmonic trapping of a Lévy walk: transport and first-passage dynamics under soft resetting strategies T2 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - We introduce and study a Lévy walk (LW) model of particle spreading with a finite propagation speed combined with soft resets, stochastically occurring periods in which an harmonic external potential is switched on and forces the particle towards a specific position. Soft resets avoid instantaneous relocation of particles that in certain physical settings may be considered unphysical. Moreover, soft resets do not have a specific resetting point but lead the particle towards a resetting point by a restoring Hookean force. Depending on the exact choice for the LW waiting time density and the probability density of the periods when the harmonic potential is switched on, we demonstrate a rich emerging response behaviour including ballistic motion and superdiffusion. When the confinement periods of the soft-reset events are dominant, we observe a particle localisation with an associated non-equilibrium steady state. In this case the stationary particle probability density function turns out to acquire multimodal states. Our derivations are based on Markov chain ideas and LWs with multiple internal states, an approach that may be useful and flexible for the investigation of other generalised random walks with soft and hard resets. The spreading efficiency of soft-rest LWs is characterised by the first-passage time statistic. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1262 KW - diffusion KW - anomalous diffusion KW - stochastic resetting KW - Levy walks Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-560402 SN - 1866-8372 SP - 1 EP - 28 PB - Universitätsverlag Potsdam CY - Potsdam ER - TY - JOUR A1 - Xu, Pengbo A1 - Zhou, Tian A1 - Metzler, Ralf A1 - Deng, Weihua T1 - Stochastic harmonic trapping of a Lévy walk BT - transport and first-passage dynamics under soft resetting strategies JF - New journal of physics : the open-access journal for physics / Deutsche Physikalische Gesellschaft ; IOP, Institute of Physics N2 - We introduce and study a Lévy walk (LW) model of particle spreading with a finite propagation speed combined with soft resets, stochastically occurring periods in which an harmonic external potential is switched on and forces the particle towards a specific position. Soft resets avoid instantaneous relocation of particles that in certain physical settings may be considered unphysical. Moreover, soft resets do not have a specific resetting point but lead the particle towards a resetting point by a restoring Hookean force. Depending on the exact choice for the LW waiting time density and the probability density of the periods when the harmonic potential is switched on, we demonstrate a rich emerging response behaviour including ballistic motion and superdiffusion. When the confinement periods of the soft-reset events are dominant, we observe a particle localisation with an associated non-equilibrium steady state. In this case the stationary particle probability density function turns out to acquire multimodal states. Our derivations are based on Markov chain ideas and LWs with multiple internal states, an approach that may be useful and flexible for the investigation of other generalised random walks with soft and hard resets. The spreading efficiency of soft-rest LWs is characterised by the first-passage time statistic. KW - diffusion KW - anomalous diffusion KW - stochastic resetting KW - Levy walks Y1 - 2022 U6 - https://doi.org/10.1088/1367-2630/ac5282 SN - 1367-2630 VL - 24 IS - 3 SP - 1 EP - 28 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - JOUR A1 - Palyulin, Vladimir V. A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Space-fractional Fokker-Planck equation and optimization of random search processes in the presence of an external bias JF - Journal of statistical mechanics: theory and experiment N2 - Based on the space-fractional Fokker-Planck equation with a delta-sink term, we study the efficiency of random search processes based on Levy flights with power-law distributed jump lengths in the presence of an external drift, for instance, an underwater current, an airflow, or simply the preference of the searcher based on prior experience. While Levy flights turn out to be efficient search processes when the target is upstream relative to the starting point, in the downstream scenario, regular Brownian motion turns out to be advantageous. This is caused by the occurrence of leapovers of Levy flights, due to which Levy flights typically overshoot a point or small interval. Studying the solution of the fractional Fokker-Planck equation, we establish criteria when the combination of the external stream and the initial distance between the starting point and the target favours Levy flights over the regular Brownian search. Contrary to the common belief that Levy flights with a Levy index alpha = 1 (i.e. Cauchy flights) are optimal for sparse targets, we find that the optimal value for alpha may range in the entire interval (1, 2) and explicitly include Brownian motion as the most efficient search strategy overall. KW - driven diffusive systems (theory) KW - fluctuations (theory) KW - stochastic processes (theory) KW - diffusion Y1 - 2014 U6 - https://doi.org/10.1088/1742-5468/2014/11/P11031 SN - 1742-5468 PB - IOP Publ. Ltd. CY - Bristol ER - TY - GEN A1 - Sposini, Vittoria A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - Single-trajectory spectral analysis of scaled Brownian motion T2 - Postprints der Universität Potsdam Mathematisch-Naturwissenschaftliche Reihe N2 - Astandard approach to study time-dependent stochastic processes is the power spectral density (PSD), an ensemble-averaged property defined as the Fourier transform of the autocorrelation function of the process in the asymptotic limit of long observation times, T → ∞. In many experimental situations one is able to garner only relatively few stochastic time series of finite T, such that practically neither an ensemble average nor the asymptotic limit T → ∞ can be achieved. To accommodate for a meaningful analysis of such finite-length data we here develop the framework of single-trajectory spectral analysis for one of the standard models of anomalous diffusion, scaled Brownian motion.Wedemonstrate that the frequency dependence of the single-trajectory PSD is exactly the same as for standard Brownian motion, which may lead one to the erroneous conclusion that the observed motion is normal-diffusive. However, a distinctive feature is shown to be provided by the explicit dependence on the measurement time T, and this ageing phenomenon can be used to deduce the anomalous diffusion exponent.Wealso compare our results to the single-trajectory PSD behaviour of another standard anomalous diffusion process, fractional Brownian motion, and work out the commonalities and differences. Our results represent an important step in establishing singletrajectory PSDs as an alternative (or complement) to analyses based on the time-averaged mean squared displacement. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 753 KW - diffusion KW - anomalous diffusion KW - power spectral analysis KW - single trajectory analysis Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-436522 SN - 1866-8372 IS - 753 ER - TY - JOUR A1 - Sposini, Vittoria A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - Single-trajectory spectral analysis of scaled Brownian motion JF - New Journal of Physics N2 - Astandard approach to study time-dependent stochastic processes is the power spectral density (PSD), an ensemble-averaged property defined as the Fourier transform of the autocorrelation function of the process in the asymptotic limit of long observation times, T → ∞. In many experimental situations one is able to garner only relatively few stochastic time series of finite T, such that practically neither an ensemble average nor the asymptotic limit T → ∞ can be achieved. To accommodate for a meaningful analysis of such finite-length data we here develop the framework of single-trajectory spectral analysis for one of the standard models of anomalous diffusion, scaled Brownian motion.Wedemonstrate that the frequency dependence of the single-trajectory PSD is exactly the same as for standard Brownian motion, which may lead one to the erroneous conclusion that the observed motion is normal-diffusive. However, a distinctive feature is shown to be provided by the explicit dependence on the measurement time T, and this ageing phenomenon can be used to deduce the anomalous diffusion exponent.Wealso compare our results to the single-trajectory PSD behaviour of another standard anomalous diffusion process, fractional Brownian motion, and work out the commonalities and differences. Our results represent an important step in establishing singletrajectory PSDs as an alternative (or complement) to analyses based on the time-averaged mean squared displacement. KW - diffusion KW - anomalous diffusion KW - power spectral analysis KW - single trajectory analysis Y1 - 2019 U6 - https://doi.org/10.1088/1367-2630/ab2f52 SN - 1367-2630 VL - 21 PB - Deutsche Physikalische Gesellschaft ; IOP, Institute of Physics CY - Bad Honnef und London ER - TY - JOUR A1 - Grätz, Fabio M. A1 - Seiß, Martin A1 - Schmidt, Jürgen A1 - Colwell, Joshua A1 - Spahn, Frank T1 - Sharp Gap Edges in Dense Planetary Rings BT - an Axisymmetric Diffusion Model JF - The astrophysical journal : an international review of spectroscopy and astronomical physics N2 - One of the most intriguing facets of Saturn's rings are the sharp edges of gaps in the rings where the surface density abruptly drops to zero. This is despite of the fact that the range over which a moon transfers angular momentum onto the ring material is much larger. Recent UVIS-scans of the edges of the Encke and Keeler gap show that this drop occurs over a range approximately equal to the rings' thickness. Borderies et al. show that this striking feature is likely related to the local reversal of the usually outward directed viscous transport of angular momentum in strongly perturbed regions. In this article we revise the Borderies et al. model using a granular flow model to define the shear and bulk viscosities, ν and ζ, and incorporate the angular momentum flux reversal effect into the axisymmetric diffusion model we developed for gaps in dense planetary rings. Finally, we apply our model to the Encke and Keeler division in order to estimate the shear and bulk viscosities in the vicinity of both gaps KW - celestial mechanics KW - diffusion KW - hydrodynamics KW - planets and satellites: rings KW - scattering Y1 - 2019 U6 - https://doi.org/10.3847/1538-4357/ab007e SN - 0004-637X SN - 1538-4357 VL - 872 IS - 2 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Singh, Rishu Kumar A1 - Metzler, Ralf A1 - Sandev, Trifce T1 - Resetting dynamics in a confining potential JF - Journal of physics : A, Mathematical and theoretical N2 - We study Brownian motion in a confining potential under a constant-rate resetting to a reset position x(0). The relaxation of this system to the steady-state exhibits a dynamic phase transition, and is achieved in a light cone region which grows linearly with time. When an absorbing boundary is introduced, effecting a symmetry breaking of the system, we find that resetting aids the barrier escape only when the particle starts on the same side as the barrier with respect to the origin. We find that the optimal resetting rate exhibits a continuous phase transition with critical exponent of unity. Exact expressions are derived for the mean escape time, the second moment, and the coefficient of variation (CV). KW - diffusion KW - resetting KW - barrier escape KW - first-passage Y1 - 2020 U6 - https://doi.org/10.1088/1751-8121/abc83a SN - 1751-8113 SN - 1751-8121 VL - 53 IS - 50 PB - IOP Publ. Ltd. CY - Bristol ER - TY - GEN A1 - Münch, Thomas A1 - Kipfstuhl, Sepp A1 - Freitag, Johannes A1 - Meyer, Hanno A1 - Laepple, Thomas T1 - Regional climate signal vs. local noise BT - a two-dimensional view of water isotopes in Antarctic firn at Kohnen Station, Dronning Maud Land T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - In low-accumulation regions, the reliability of delta O-18-derived temperature signals from ice cores within the Holocene is unclear, primarily due to the small climate changes relative to the intrinsic noise of the isotopic signal. In order to learn about the representativity of single ice cores and to optimise future ice-core-based climate reconstructions, we studied the stable-water isotope composition of firn at Kohnen Station, Dronning Maud Land, Antarctica. Analysing delta O-18 in two 50m long snow trenches allowed us to create an unprecedented, two-dimensional image characterising the isotopic variations from the centimetre to the 100-metre scale. Our results show seasonal layering of the isotopic composition but also high horizontal isotopic variability caused by local stratigraphic noise. Based on the horizontal and vertical structure of the isotopic variations, we derive a statistical noise model which successfully explains the trench data. The model further allows one to determine an upper bound for the reliability of climate reconstructions conducted in our study region at seasonal to annual resolution, depending on the number and the spacing of the cores taken. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 500 KW - ice-core records KW - past 2 kyr KW - temperature variability KW - accumulation rates KW - East Antarctica KW - stable-isotopes KW - surface snow KW - time-series KW - diffusion KW - Greenland Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-408385 SN - 1866-8372 IS - 500 ER - TY - GEN A1 - Weber, Ariane A1 - Bahrs, Marco A1 - Alirezaeizanjani, Zahra A1 - Zhang, Xingyu A1 - Beta, Carsten A1 - Zaburdaev, Vasily T1 - Rectification of Bacterial Diffusion in Microfluidic Labyrinths T2 - Postprints der Universität Potsdam Mathematisch-Naturwissenschaftliche Reihe N2 - In nature as well as in the context of infection and medical applications, bacteria often have to move in highly complex environments such as soil or tissues. Previous studies have shown that bacteria strongly interact with their surroundings and are often guided by confinements. Here, we investigate theoretically how the dispersal of swimming bacteria can be augmented by microfluidic environments and validate our theoretical predictions experimentally. We consider a system of bacteria performing the prototypical run-and-tumble motion inside a labyrinth with square lattice geometry. Narrow channels between the square obstacles limit the possibility of bacteria to reorient during tumbling events to an area where channels cross. Thus, by varying the geometry of the lattice it might be possible to control the dispersal of cells. We present a theoretical model quantifying diffusive spreading of a run-and-tumble random walker in a square lattice. Numerical simulations validate our theoretical predictions for the dependence of the diffusion coefficient on the lattice geometry. We show that bacteria moving in square labyrinths exhibit enhanced dispersal as compared to unconfined cells. Importantly, confinement significantly extends the duration of the phase with strongly non-Gaussian diffusion, when the geometry of channels is imprinted in the density profiles of spreading cells. Finally, in good agreement with our theoretical findings, we observe the predicted behaviors in experiments with E. coli bacteria swimming in a square lattice labyrinth created in amicrofluidic device. Altogether, our comprehensive understanding of bacterial dispersal in a simple two-dimensional labyrinth makes the first step toward the analysis of more complex geometries relevant for real world applications. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 801 KW - diffusion KW - rectification KW - random walk KW - bacteria KW - confinement Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-441222 SN - 1866-8372 IS - 801 ER - TY - JOUR A1 - Weber, Ariane A1 - Bahrs, Marco A1 - Alirezaeizanjani, Zahra A1 - Zhang, Xingyu A1 - Beta, Carsten A1 - Zaburdaev, Vasily T1 - Rectification of Bacterial Diffusion in Microfluidic Labyrinths JF - Frontiers in Physics N2 - In nature as well as in the context of infection and medical applications, bacteria often have to move in highly complex environments such as soil or tissues. Previous studies have shown that bacteria strongly interact with their surroundings and are often guided by confinements. Here, we investigate theoretically how the dispersal of swimming bacteria can be augmented by microfluidic environments and validate our theoretical predictions experimentally. We consider a system of bacteria performing the prototypical run-and-tumble motion inside a labyrinth with square lattice geometry. Narrow channels between the square obstacles limit the possibility of bacteria to reorient during tumbling events to an area where channels cross. Thus, by varying the geometry of the lattice it might be possible to control the dispersal of cells. We present a theoretical model quantifying diffusive spreading of a run-and-tumble random walker in a square lattice. Numerical simulations validate our theoretical predictions for the dependence of the diffusion coefficient on the lattice geometry. We show that bacteria moving in square labyrinths exhibit enhanced dispersal as compared to unconfined cells. Importantly, confinement significantly extends the duration of the phase with strongly non-Gaussian diffusion, when the geometry of channels is imprinted in the density profiles of spreading cells. Finally, in good agreement with our theoretical findings, we observe the predicted behaviors in experiments with E. coli bacteria swimming in a square lattice labyrinth created in amicrofluidic device. Altogether, our comprehensive understanding of bacterial dispersal in a simple two-dimensional labyrinth makes the first step toward the analysis of more complex geometries relevant for real world applications. KW - diffusion KW - rectification KW - random walk KW - bacteria KW - confinement Y1 - 2019 U6 - https://doi.org/10.3389/fphy.2019.00148 SN - 2296-424X SN - 0429-7725 VL - 7 PB - Frontiers Media CY - Lausanne ER - TY - GEN A1 - Ślęzak, Jakub A1 - Burnecki, Krzysztof A1 - Metzler, Ralf T1 - Random coefficient autoregressive processes describe Brownian yet non-Gaussian diffusion in heterogeneous systems T2 - Postprints der Universität Potsdam Mathematisch-Naturwissenschaftliche Reihe N2 - Many studies on biological and soft matter systems report the joint presence of a linear mean-squared displacement and a non-Gaussian probability density exhibiting, for instance, exponential or stretched-Gaussian tails. This phenomenon is ascribed to the heterogeneity of the medium and is captured by random parameter models such as ‘superstatistics’ or ‘diffusing diffusivity’. Independently, scientists working in the area of time series analysis and statistics have studied a class of discrete-time processes with similar properties, namely, random coefficient autoregressive models. In this work we try to reconcile these two approaches and thus provide a bridge between physical stochastic processes and autoregressive models.Westart from the basic Langevin equation of motion with time-varying damping or diffusion coefficients and establish the link to random coefficient autoregressive processes. By exploring that link we gain access to efficient statistical methods which can help to identify data exhibiting Brownian yet non-Gaussian diffusion. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 765 KW - diffusion KW - Langevin equation KW - Brownian yet non-Gaussian diffusion KW - diffusing diffusivity KW - superstatistics KW - autoregressive models KW - time series analysis KW - codifference Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-437923 SN - 1866-8372 IS - 765 ER - TY - JOUR A1 - Ślęzak, Jakub A1 - Burnecki, Krzysztof A1 - Metzler, Ralf T1 - Random coefficient autoregressive processes describe Brownian yet non-Gaussian diffusion in heterogeneous systems JF - New Journal of Physics N2 - Many studies on biological and soft matter systems report the joint presence of a linear mean-squared displacement and a non-Gaussian probability density exhibiting, for instance, exponential or stretched-Gaussian tails. This phenomenon is ascribed to the heterogeneity of the medium and is captured by random parameter models such as ‘superstatistics’ or ‘diffusing diffusivity’. Independently, scientists working in the area of time series analysis and statistics have studied a class of discrete-time processes with similar properties, namely, random coefficient autoregressive models. In this work we try to reconcile these two approaches and thus provide a bridge between physical stochastic processes and autoregressive models.Westart from the basic Langevin equation of motion with time-varying damping or diffusion coefficients and establish the link to random coefficient autoregressive processes. By exploring that link we gain access to efficient statistical methods which can help to identify data exhibiting Brownian yet non-Gaussian diffusion. KW - diffusion KW - Langevin equation KW - Brownian yet non-Gaussian diffusion KW - diffusing diffusivity KW - superstatistics KW - autoregressive models KW - time series analysis KW - codifference Y1 - 2019 U6 - https://doi.org/10.1088/1367-2630/ab3366 SN - 1367-2630 VL - 21 PB - Deutsche Physikalische Gesellschaft ; IOP, Institute of Physics CY - Bad Honnef und London ER - TY - GEN A1 - Makwana, Kirit D. A1 - Yan, Huirong T1 - Properties of magnetohydrodynamic modes in compressively driven plasma turbulence T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - We study properties of magnetohydrodynamic (MHD) eigenmodes by decomposing the data of MHD simulations into linear MHD modes-namely, the Alfven, slow magnetosonic, and fast magnetosonic modes. We drive turbulence with a mixture of solenoidal and compressive driving while varying the Alfven Mach number (M-A), plasma beta, and the sonic Mach number from subsonic to transsonic. We find that the proportion of fast and slow modes in the mode mixture increases with increasing compressive forcing. This proportion of the magnetosonic modes can also become the dominant fraction in the mode mixture. The anisotropy of the modes is analyzed by means of their structure functions. The Alfven-mode anisotropy is consistent with the Goldreich-Sridhar theory. We find a transition from weak to strong Alfvenic turbulence as we go from low to high M-A. The slow-mode properties are similar to the Alfven mode. On the other hand, the isotropic nature of fast modes is verified in the cases where the fast mode is a significant fraction of the mode mixture. The fast-mode behavior does not show any transition in going from low to high M-A. We find indications that there is some interaction between the different modes, and the properties of the dominant mode can affect the properties of the weaker modes. This work identifies the conditions under which magnetosonic modes can be a major fraction of turbulent astrophysical plasmas, including the regime of weak turbulence. Important astrophysical implications for cosmic-ray transport and magnetic reconnection are discussed. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1225 KW - mhd turbulence KW - star formation KW - simulations KW - Anisotropy KW - diffusion Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-531607 SN - 1866-8372 VL - 10 IS - 3 PB - American Physical Society (APS) CY - College Park ER - TY - JOUR A1 - Hennig, Theresa A1 - Kühn, Michael T1 - Potential uranium migration within the geochemical gradient of the opalinus clay system at the Mont Terri JF - Minerals N2 - Transport properties of potential host rocks for nuclear waste disposal are typically determined in laboratory or in-situ experiments under geochemically controlled and constant conditions. Such a homogeneous assumption is no longer applicable on the host rock scale as can be seen from the pore water profiles of the potential host rock Opalinus Clay at Mont Terri (Switzerland). The embedding aquifers are the hydro-geological boundaries, that established gradients in the 210 m thick low permeable section through diffusive exchange over millions of years. Present-day pore water profiles were confirmed by a data-driven as well as by a conceptual scenario. Based on the modelled profiles, the influence of the geochemical gradient on uranium migration was quantified by comparing the distances after one million years with results of common homogeneous models. Considering the heterogeneous system, uranium migrated up to 24 m farther through the formation depending on the source term position within the gradient and on the partial pressure of carbon dioxide pCO2 of the system. Migration lengths were almost equal for single- and multicomponent diffusion. Differences can predominantly be attributed to changes in the sorption capacity, whereby pCO2 governs how strong uranium migration is affected by the geochemical gradient. Thus, the governing parameters for uranium migration in the Opalinus Clay can be ordered in descending priority: pCO2, geochemical gradients, mineralogical heterogeneity.

KW - PHREEQC KW - reactive transport KW - sorption KW - diffusion KW - repository far-field KW - hydro-geological system Y1 - 2021 U6 - https://doi.org/10.3390/min11101087 SN - 2075-163X VL - 11 IS - 10 PB - MDPI CY - Basel ER - TY - BOOK A1 - Schmiedgen, Jan A1 - Rhinow, Holger A1 - Köppen, Eva A1 - Meinel, Christoph T1 - Parts without a whole? BT - The current state of Design Thinking practice in organizations N2 - This explorative study gives a descriptive overview of what organizations do and experience when they say they practice design thinking. It looks at how the concept has been appropriated in organizations and also describes patterns of design thinking adoption. The authors use a mixed-method research design fed by two sources: questionnaire data and semi-structured personal expert interviews. The study proceeds in six parts: (1) design thinking¹s entry points into organizations; (2) understandings of the descriptor; (3) its fields of application and organizational localization; (4) its perceived impact; (5) reasons for its discontinuation or failure; and (6) attempts to measure its success. In conclusion the report challenges managers to be more conscious of their current design thinking practice. The authors suggest a co-evolution of the concept¹s introduction with innovation capability building and the respective changes in leadership approaches. It is argued that this might help in unfolding design thinking¹s hidden potentials as well as preventing unintended side-effects such as discontented teams or the dwindling authority of managers. N2 - Diese explorative Studie gibt einen deskriptiven Überblick, was Organisationen tun und zu erleben, wenn sie sagen, sie üben Design Thinking. Es untersucht, wie das Konzept in Organisationen angeeignet und beschreibt auch Muster der Design Thinking Annahme. Die Autoren verwenden eine von zwei Quellen gespeist Mixed-Verfahren Forschungsdesign: Fragebogendaten und semi-strukturierten persönlichen Experteninterviews. Die Studie läuft in sechs Teile: Einstiegspunkte (1) Design-Denken in Organisationen; (2) Verständnis des Deskriptors; (3) ihre Anwendungsgebiete und organisatorische Lokalisierung;(4) dessen empfundenen Auswirkungen; (5) Gründe für ihre Einstellung oder Misserfolg; und (6) versucht, den Erfolg zu messen. Abschließend fordert der Bericht-Manager mehr bewusst ihre aktuellen Design Thinking der Praxis zu sein. Die Autoren schlagen eine Ko-Evolution von Einführung des Konzepts mit Innovationsfähigkeit Gebäude und den jeweiligen Führungswechsel Ansätze. Es wird argumentiert, dass dies in der Entfaltung versteckte Potentiale Design Denken wie auch zur Verhinderung unbeabsichtigten Nebenwirkungen, wie unzufrieden Teams oder die schwindende Autorität von Managern zu helfen. T3 - Technische Berichte des Hasso-Plattner-Instituts für Digital Engineering an der Universität Potsdam - 97 KW - design thinking KW - innovation KW - innovation management KW - innovation capabilities KW - organizational change KW - change management KW - management KW - adoption KW - diffusion KW - study KW - leadership KW - Design Thinking KW - Innovation KW - Innovationsmanagement KW - Organisationsveränderung KW - Change Management KW - Management KW - Innovationsmethode KW - Studie KW - Leadership Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-79969 SN - 978-3-86956-334-3 SN - 1613-5652 SN - 2191-1665 IS - 97 PB - Universitätsverlag Potsdam CY - Potsdam ER - TY - JOUR A1 - Abdalla, Hassan E. A1 - Aharonian, Felix A. A1 - Benkhali, F. Ait A1 - Angüner, Ekrem Oǧuzhan A1 - Arakawa, M. A1 - Arcaro, C. A1 - Armand, C. A1 - Arrieta, M. A1 - Backes, M. A1 - Barnard, M. A1 - Becherini, Y. A1 - Tjus, J. Becker A1 - Berge, D. A1 - Bernloehr, K. A1 - Blackwell, R. A1 - Bottcher, M. A1 - Boisson, C. A1 - Bolmont, J. A1 - Bonnefoy, S. A1 - Bordas, Pol A1 - Bregeon, J. A1 - Brun, F. A1 - Brun, P. A1 - Bryan, M. A1 - Buechele, M. A1 - Bulik, T. A1 - Bylund, T. A1 - Capasso, M. A1 - Caroff, S. A1 - Carosi, A. A1 - Casanova, Sabrina A1 - Cerruti, M. A1 - Chakraborty, N. A1 - Chand, T. A1 - Chandra, S. A1 - Chaves, R. C. G. A1 - Chen, A. A1 - Colafrancesco, S. A1 - Condon, B. A1 - Davids, I. D. A1 - Deil, C. A1 - Devin, J. A1 - deWilt, P. A1 - Dirson, L. A1 - Djannati-Atai, A. A1 - Dmytriiev, A. A1 - Donath, A. A1 - Doroshenko, V A1 - Dyks, J. A1 - Egberts, Kathrin A1 - Emery, G. A1 - Ernenwein, J-P A1 - Eschbach, S. A1 - Fegan, S. A1 - Fiasson, A. A1 - Fontaine, G. A1 - Funk, S. A1 - Fuessling, M. A1 - Gabici, S. A1 - Gallant, Y. A. A1 - Gate, F. A1 - Giavitto, G. A1 - Glawion, D. A1 - Glicenstein, J. F. A1 - Gottschall, D. A1 - Grondin, M-H A1 - Hahn, J. A1 - Haupt, M. A1 - Heinzelmann, G. A1 - Henri, G. A1 - Hermann, G. A1 - Hinton, James Anthony A1 - Hofmann, W. A1 - Hoischen, Clemens A1 - Holch, Tim Lukas A1 - Holler, M. A1 - Horns, D. A1 - Huber, D. A1 - Iwasaki, H. A1 - Jacholkowska, A. A1 - Jamrozy, M. A1 - Jankowsky, D. A1 - Jankowsky, F. A1 - Jouvin, L. A1 - Jung-Richardt, I A1 - Kastendieck, M. A. A1 - Katarzynski, K. A1 - Katsuragawa, M. A1 - Katz, U. A1 - Kerszberg, D. A1 - Khangulyan, D. A1 - Khelifi, B. A1 - King, J. A1 - Klepser, S. A1 - Kluzniak, W. A1 - Komin, Nu A1 - Kosack, K. A1 - Kraus, M. A1 - Lamanna, G. A1 - Lau, J. A1 - Lefaucheur, J. A1 - Lemiere, A. A1 - Lemoine-Goumard, M. A1 - Lenain, J-P A1 - Leser, Eva A1 - Lohse, T. A1 - Lopez-Coto, R. A1 - Lypova, I A1 - Malyshev, D. A1 - Marandon, V A1 - Marcowith, Alexandre A1 - Mariaud, C. A1 - Marti-Devesa, G. A1 - Marx, R. A1 - Maurin, G. A1 - Meintjes, P. J. A1 - Mitchell, A. M. W. A1 - Moderski, R. A1 - Mohamed, M. A1 - Mohrmann, L. A1 - Moore, C. A1 - Moulin, Emmanuel A1 - Murach, T. A1 - Nakashima, S. A1 - de Naurois, M. A1 - Ndiyavala, H. A1 - Niederwanger, F. A1 - Niemiec, J. A1 - Oakes, L. A1 - Odaka, H. A1 - Ohm, S. A1 - Ostrowski, M. A1 - Oya, I A1 - Panter, M. A1 - Parsons, R. D. A1 - Perennes, C. A1 - Petrucci, P-O A1 - Peyaud, B. A1 - Piel, Q. A1 - Pita, S. A1 - Poireau, V A1 - Noel, A. Priyana A1 - Prokhorov, D. A. A1 - Prokoph, H. A1 - Puehlhofer, G. A1 - Punch, M. A1 - Quirrenbach, A. A1 - Raab, S. A1 - Rauth, R. A1 - Reimer, A. A1 - Reimer, O. A1 - Renaud, M. A1 - Rieger, F. A1 - Rinchiuso, L. A1 - Romoli, C. A1 - Rowell, G. A1 - Rudak, B. A1 - Ruiz-Velasco, E. A1 - Sahakian, V A1 - Saito, S. A1 - Sanchez, David M. A1 - Santangelo, A. A1 - Sasaki, M. A1 - Schlickeiser, R. A1 - Schussler, F. A1 - Schulz, A. A1 - Schutte, H. A1 - Schwanke, U. A1 - Schwemmer, S. A1 - Seglar-Arroyo, M. A1 - Senniappan, M. A1 - Seyffert, A. S. A1 - Shafi, N. A1 - Shilon, I A1 - Shiningayamwe, K. A1 - Simoni, R. A1 - Sinha, A. A1 - Sol, H. A1 - Specovius, A. A1 - Spir-Jacob, M. A1 - Stawarz, L. A1 - Steenkamp, R. A1 - Stegmann, Christian A1 - Steppa, Constantin Beverly A1 - Takahashi, T. A1 - Tavernet, J-P A1 - Tavernier, T. A1 - Taylor, A. M. A1 - Terrier, R. A1 - Tibaldo, L. A1 - Tiziani, D. A1 - Tluczykont, M. A1 - Trichard, C. A1 - Tsirou, M. A1 - Tsuji, N. A1 - Tuffs, R. A1 - Uchiyama, Y. A1 - van der Walt, D. J. A1 - van Eldik, C. A1 - van Rensburg, C. A1 - van Soelen, B. A1 - Vasileiadis, G. A1 - Veh, J. A1 - Venter, C. A1 - Vincent, P. A1 - Vink, J. A1 - Voisin, F. A1 - Voelk, H. J. A1 - Vuillaume, T. A1 - Wadiasingh, Z. A1 - Wagner, S. J. A1 - Wagner, R. M. A1 - White, R. A1 - Wierzcholska, A. A1 - Yang, R. A1 - Yoneda, H. A1 - Zaborov, D. A1 - Zacharias, M. A1 - Zanin, R. A1 - Zdziarski, A. A. A1 - Zech, Alraune A1 - Zefi, F. A1 - Ziegler, A. A1 - Zorn, J. A1 - Zywucka, N. T1 - Particle transport within the pulsar wind nebula HESS J1825-137 JF - Astronomy and astrophysics : an international weekly journal N2 - Context. We present a detailed view of the pulsar wind nebula (PWN) HESS J1825-137. We aim to constrain the mechanisms dominating the particle transport within the nebula, accounting for its anomalously large size and spectral characteristics. Aims. The nebula was studied using a deep exposure from over 12 years of H.E.S.S. I operation, together with data from H.E.S.S. II that improve the low-energy sensitivity. Enhanced energy-dependent morphological and spatially resolved spectral analyses probe the very high energy (VHE, E > 0.1 TeV) gamma-ray properties of the nebula. Methods. The nebula emission is revealed to extend out to 1.5 degrees from the pulsar, similar to 1.5 times farther than previously seen, making HESS J1825-137, with an intrinsic diameter of similar to 100 pc, potentially the largest gamma-ray PWN currently known. Characterising the strongly energy-dependent morphology of the nebula enables us to constrain the particle transport mechanisms. A dependence of the nebula extent with energy of R proportional to E alpha with alpha = -0.29 +/- 0.04(stat) +/- 0.05(sys) disfavours a pure diffusion scenario for particle transport within the nebula. The total gamma-ray flux of the nebula above 1 TeV is found to be (1.12 +/- 0.03(stat) +/- 0.25(sys)) +/- 10(-11) cm(-2) s(-1), corresponding to similar to 64% of the flux of the Crab nebula. Results. HESS J1825-137 is a PWN with clearly energy-dependent morphology at VHE gamma-ray energies. This source is used as a laboratory to investigate particle transport within intermediate-age PWNe. Based on deep observations of this highly spatially extended PWN, we produce a spectral map of the region that provides insights into the spectral variation within the nebula. KW - gamma rays: general KW - acceleration of particles KW - convection KW - diffusion KW - pulsars: general Y1 - 2019 U6 - https://doi.org/10.1051/0004-6361/201834335 SN - 1432-0746 VL - 621 PB - EDP Sciences CY - Les Ulis ER - TY - GEN A1 - Li, Yongge A1 - Mei, Ruoxing A1 - Xu, Yong A1 - Kurths, Jürgen A1 - Duan, Jinqiao A1 - Metzler, Ralf T1 - Particle dynamics and transport enhancement in a confined channel with position-dependent diffusivity T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - This work focuses on the dynamics of particles in a confined geometry with position-dependent diffusivity, where the confinement is modelled by a periodic channel consisting of unit cells connected by narrow passage ways. We consider three functional forms for the diffusivity, corresponding to the scenarios of a constant (D ₀), as well as a low (D ₘ) and a high (D d) mobility diffusion in cell centre of the longitudinally symmetric cells. Due to the interaction among the diffusivity, channel shape and external force, the system exhibits complex and interesting phenomena. By calculating the probability density function, mean velocity and mean first exit time with the Itô calculus form, we find that in the absence of external forces the diffusivity D d will redistribute particles near the channel wall, while the diffusivity D ₘ will trap them near the cell centre. The superposition of external forces will break their static distributions. Besides, our results demonstrate that for the diffusivity D d, a high dependence on the x coordinate (parallel with the central channel line) will improve the mean velocity of the particles. In contrast, for the diffusivity D ₘ, a weak dependence on the x coordinate will dramatically accelerate the moving speed. In addition, it shows that a large external force can weaken the influences of different diffusivities; inversely, for a small external force, the types of diffusivity affect significantly the particle dynamics. In practice, one can apply these results to achieve a prominent enhancement of the particle transport in two- or three-dimensional channels by modulating the local tracer diffusivity via an engineered gel of varying porosity or by adding a cold tube to cool down the diffusivity along the central line, which may be a relevant effect in engineering applications. Effects of different stochastic calculi in the evaluation of the underlying multiplicative stochastic equation for different physical scenarios are discussed. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 974 KW - diffusion KW - channel KW - space-dependent diffusivity Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-474542 SN - 1866-8372 IS - 974 ER - TY - JOUR A1 - Li, Yongge A1 - Mei, Ruoxing A1 - Xu, Yong A1 - Kurths, Jürgen A1 - Duan, Jinqiao A1 - Metzler, Ralf T1 - Particle dynamics and transport enhancement in a confined channel with position-dependent diffusivity JF - New Journal of Physics N2 - This work focuses on the dynamics of particles in a confined geometry with position-dependent diffusivity, where the confinement is modelled by a periodic channel consisting of unit cells connected by narrow passage ways. We consider three functional forms for the diffusivity, corresponding to the scenarios of a constant (D ₀), as well as a low (D ₘ) and a high (D d) mobility diffusion in cell centre of the longitudinally symmetric cells. Due to the interaction among the diffusivity, channel shape and external force, the system exhibits complex and interesting phenomena. By calculating the probability density function, mean velocity and mean first exit time with the Itô calculus form, we find that in the absence of external forces the diffusivity D d will redistribute particles near the channel wall, while the diffusivity D ₘ will trap them near the cell centre. The superposition of external forces will break their static distributions. Besides, our results demonstrate that for the diffusivity D d, a high dependence on the x coordinate (parallel with the central channel line) will improve the mean velocity of the particles. In contrast, for the diffusivity D ₘ, a weak dependence on the x coordinate will dramatically accelerate the moving speed. In addition, it shows that a large external force can weaken the influences of different diffusivities; inversely, for a small external force, the types of diffusivity affect significantly the particle dynamics. In practice, one can apply these results to achieve a prominent enhancement of the particle transport in two- or three-dimensional channels by modulating the local tracer diffusivity via an engineered gel of varying porosity or by adding a cold tube to cool down the diffusivity along the central line, which may be a relevant effect in engineering applications. Effects of different stochastic calculi in the evaluation of the underlying multiplicative stochastic equation for different physical scenarios are discussed. KW - diffusion KW - channel KW - space-dependent diffusivity Y1 - 2020 U6 - https://doi.org/10.1088/1367-2630/ab81b9 SN - 1367-2630 VL - 22 PB - Dt. Physikalische Ges. CY - Bad Honnef ER - TY - JOUR A1 - Chen, Xuhui A1 - Pohl, Martin A1 - Bottcher, Markus A1 - Gao, Shan T1 - Particle diffusion and localized acceleration in inhomogeneous AGN jets - II. Stochastic variation JF - Monthly notices of the Royal Astronomical Society N2 - We study the stochastic variation of blazar emission under a 2D spatially resolved leptonic jet model we previously developed. Random events of particle acceleration and injection in small zones within the emission region are assumed to be responsible for flux variations. In addition to producing spectral energy distributions that describe the observed flux of Mrk 421, we further analyse the timing properties of the simulated light curves, such as the power spectral density (PSD) at different bands, flux-flux correlations, aswell as the cross-correlation function between X-rays and TeV gamma-rays. We find spectral breaks in the PSD at a time-scale comparable to the dominant characteristic time-scale in the system, which is usually the predefined decay time-scale of an acceleration event. Cooling imposes a delay, and so PSDs taken at lower energy bands in each emission component (synchrotron or inverse Compton) generally break at longer time-scales. The flux-flux correlation between X-rays and TeV gamma-rays can be either quadratic or linear, depending on whether or not there are large variation of the injection into the particle acceleration process. When the relationship is quadratic, the TeV flares lag the X-ray flares, and the optical and GeV flares are large enough to be comparable to the ones in X-ray. When the relationship is linear, the lags are insignificant, and the optical and GeV flares are small. KW - acceleration of particles KW - diffusion KW - radiation mechanisms: non-thermal KW - galaxies: active KW - BL Lacertae objects: individual: Mrk 421 KW - galaxies: jets Y1 - 2016 U6 - https://doi.org/10.1093/mnras/stw528 SN - 0035-8711 SN - 1365-2966 VL - 458 SP - 3260 EP - 3271 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Chen, Xuhui A1 - Pohl, Martin A1 - Böttcher, Markus T1 - Particle diffusion and localized acceleration in inhomogeneous AGN jets - I. Steady-state spectra JF - Monthly notices of the Royal Astronomical Society N2 - We study the acceleration, transport, and emission of particles in relativistic jets. Localized stochastic particle acceleration, spatial diffusion, and synchrotron as well as synchrotron self-Compton (SSC) emission are considered in a leptonic model. To account for inhomogeneity, we use a 2D axisymmetric cylindrical geometry for both relativistic electrons and magnetic field. In this first phase of our work, we focus on steady-state spectra that develop from a time-dependent model. We demonstrate that small isolated acceleration region in a much larger emission volume are sufficient to accelerate particles to high energy. Diffusive escape from these small regions provides a natural explanation for the spectral form of the jet emission. The location of the acceleration regions within the jet is found to affect the cooling break of the spectrum in this diffusive model. Diffusion-caused energy-dependent inhomogeneity in the jets predicts that the SSC spectrum is harder than the synchrotron spectrum. There can also be a spectral hardening towards the high-energy section of the synchrotron spectrum, if particle escape is relatively slow. These two spectral hardening effects indicate that the jet inhomogeneity might be a natural explanation for the unexpected hard. gamma-ray spectra observed in some blazars. KW - acceleration of particles KW - diffusion KW - radiation mechanisms: non-thermal KW - galaxies:active KW - galaxies: jets Y1 - 2015 U6 - https://doi.org/10.1093/mnras/stu2438 SN - 0035-8711 SN - 1365-2966 VL - 447 IS - 1 SP - 530 EP - 544 PB - Oxford Univ. Press CY - Oxford ER - TY - JOUR A1 - Chechkin, Aleksei V. A1 - Lenz, F. A1 - Klages, Rainer T1 - Normal and anomalous fluctuation relations for gaussian stochastic dynamics JF - Journal of statistical mechanics: theory and experiment N2 - We study transient work fluctuation relations (FRs) for Gaussian stochastic systems generating anomalous diffusion. For this purpose we use a Langevin approach by employing two different types of additive noise: (i) internal noise where the fluctuation dissipation relation of the second kind (FDR II) holds, and (ii) external noise without FDR II. For internal noise we demonstrate that the existence of FDR II implies the existence of the fluctuation dissipation relation of the first kind (FDR I), which in turn leads to conventional (normal) forms of transient work FRs. For systems driven by external noise we obtain violations of normal FRs, which we call anomalous FRs. We derive them in the long-time limit and demonstrate the existence of logarithmic factors in FRs for intermediate times. We also outline possible experimental verifications. KW - stochastic particle dynamics (theory) KW - fluctuations (theory) KW - stochastic processes (theory) KW - diffusion Y1 - 2012 U6 - https://doi.org/10.1088/1742-5468/2012/11/L11001 SN - 1742-5468 IS - 4 PB - IOP Publ. Ltd. CY - Bristol ER - TY - THES A1 - Grätz, Fabio M. T1 - Nonlinear diffusion in granular gases and dense planetary rings N2 - Small moonlets or moons embedded in dense planetary rings create S-shaped density modulations called propellers if their masses are smaller than a certain threshold, alternatively they create a circumferential gap in the disk if the embedded body’s mass exceeds this threshold (Spahn and Sremčević, 2000). The gravitational perturber scatters the ring particles, depletes the disk’s density, and, thus, clears a gap, whereas counteracting viscous diffusion of the ring material has the tendency to close the created gap, thereby forming a propeller. Propeller objects were predicted by Spahn and Sremčević (2000) and Sremčević et al. (2002) and were later discovered by the Cassini space probe (Tiscareno et al., 2006, Sremčević et al., 2007, Tiscareno et al., 2008, and Tiscareno et al., 2010). The ring moons Pan and Daphnis are massive enough to maintain the circumferential Encke and Keeler gaps in Saturn’s A ring and were detected by Showalter (1991) and Porco (2005) in Voyager and Cassini images, respectively. In this thesis, a nonlinear axisymmetric diffusion model is developed to describe radial density profiles of circumferential gaps in planetary rings created by embedded moons (Grätz et al., 2018). The model accounts for the gravitational scattering of the ring particles by the embedded moon and for the counteracting viscous diffusion of the ring matter back into the gap. With test particle simulations it is shown that the scattering of the ring particles passing the moon is larger for small impact parameters than estimated by Goldreich and Tremaine (1980). This is especially significant for the modeling of the Keeler gap. The model is applied to the Encke and Keeler gaps with the aim to estimate the shear viscosity of the ring in their vicinities. In addition, the model is used to analyze whether tiny icy moons whose dimensions lie below Cassini’s resolution capabilities would be able to cause the poorly understood gap structure of the C ring and the Cassini Division. One of the most intriguing facets of Saturn’s rings are the extremely sharp edges of the Encke and Keeler gaps: UVIS-scans of their gap edges show that the optical depth drops from order unity to zero over a range of far less than 100 m, a spatial scale comparable to the ring’s vertical extent. This occurs despite the fact that the range over which a moon transfers angular momentum onto the ring material is much larger. Borderies et al. (1982, 1989) have shown that this striking feature is likely related to the local reversal of the usually outward-directed viscous transport of angular momentum in strongly perturbed regions. We have revised the Borderies et al. (1989) model using a granular flow model to define the shear and bulk viscosities, ν and ζ, in order to incorporate the angular momentum flux reversal effect into the axisymmetric diffusion model for circumferential gaps presented in this thesis (Grätz et al., 2019). The sharp Encke and Keeler gap edges are modeled and conclusions regarding the shear and bulk viscosities of the ring are discussed. Finally, we explore the question of whether the radial density profile of the central and outer A ring, recently measured by Tiscareno and Harris (2018) in the highest resolution to date, and in particular, the sharp outer A ring edge can be modeled consistently from the balance of gravitational scattering by several outer moons and the mass and momentum transport. To this aim, the developed model is extended to account for the inward drifts caused by multiple discrete and overlapping resonances with multiple outer satellites and is then used to hydrodynamically simulate the normalized surface mass density profile of the A ring. This section of the thesis is based on studies by Tajeddine et al. (2017a) who recently discussed the common misconception that the 7:6 resonance with Janus alone maintains the outer A ring edge, showing that the combined effort of several resonances with several outer moons is required to confine the A ring as observed by the Cassini spacecraft. KW - celestial mechanics KW - diffusion KW - hydrodynamics KW - planets and satellites: rings KW - scattering Y1 - 2020 ER - TY - JOUR A1 - Dunsing, Valentin A1 - Petrich, Annett A1 - Chiantia, Salvatore T1 - Multicolor fluorescence fluctuation spectroscopy in living cells via spectral detection JF - eLife N2 - Signaling pathways in biological systems rely on specific interactions between multiple biomolecules. Fluorescence fluctuation spectroscopy provides a powerful toolbox to quantify such interactions directly in living cells. Cross-correlation analysis of spectrally separated fluctuations provides information about intermolecular interactions but is usually limited to two fluorophore species. Here, we present scanning fluorescence spectral correlation spectroscopy (SFSCS), a versatile approach that can be implemented on commercial confocal microscopes, allowing the investigation of interactions between multiple protein species at the plasma membrane. We demonstrate that SFSCS enables cross-talk-free cross-correlation, diffusion, and oligomerization analysis of up to four protein species labeled with strongly overlapping fluorophores. As an example, we investigate the interactions of influenza A virus (IAV) matrix protein 2 with two cellular host factors simultaneously. We furthermore apply raster spectral image correlation spectroscopy for the simultaneous analysis of up to four species and determine the stoichiometry of ternary IAV polymerase complexes in the cell nucleus. KW - fluorescence KW - optical microscopy KW - virus assembly KW - protein-protein KW - interactions KW - diffusion KW - Viruses Y1 - 2021 U6 - https://doi.org/10.7554/eLife.69687 SN - 2050-084X VL - 10 PB - eLife Sciences Publications CY - Cambridge ER - TY - THES A1 - Klumpp, Stefan T1 - Movements of molecular motors : diffusion and directed walks N2 - Bewegungen von prozessiven molekularen Motoren des Zytoskeletts sind durch ein Wechselspiel von gerichteter Bewegung entlang von Filamenten und Diffusion in der umgebenden Lösung gekennzeichnet. Diese eigentümlichen Bewegungen werden in der vorliegenden Arbeit untersucht, indem sie als Random Walks auf einem Gitter modelliert werden. Ein weiterer Gegenstand der Untersuchung sind Effekte von Wechselwirkungen zwischen den Motoren auf diese Bewegungen. Im einzelnen werden vier Transportphänomene untersucht: (i) Random Walks von einzelnen Motoren in Kompartimenten verschiedener Geometrien, (ii) stationäre Konzentrationsprofile, die sich in geschlossenen Kompartimenten infolge dieser Bewegungen einstellen, (iii) randinduzierte Phasenübergänge in offenen röhrenartigen Kompartimenten, die an Motorenreservoirs gekoppelt sind, und (iv) der Einfluß von kooperativen Effekten bei der Motor-Filament-Bindung auf die Bewegung. Alle diese Phänomene sind experimentell zugänglich, und mögliche experimentelle Realisierungen werden diskutiert. N2 - Movements of processive cytoskeletal motors are characterized by an interplay between directed motion along filament and diffusion in the surrounding solution. In the present work, these peculiar movements are studied by modeling them as random walks on a lattice. An additional subject of our studies is the effect of motor-motor interactions on these movements. In detail, four transport phenomena are studied: (i) Random walks of single motors in compartments of various geometries, (ii) stationary concentration profiles which build up as a result of these movements in closed compartments, (iii) boundary-induced phase transitions in open tube-like compartments coupled to reservoirs of motors, and (iv) the influence of cooperative effects in motor-filament binding on the movements. All these phenomena are experimentally accessible and possible experimental realizations are discussed. KW - molekulare Motoren KW - aktive Prozesse KW - Diffusion KW - Random Walks KW - Gittermodelle KW - Phasenübergänge KW - Staus KW - kooperative Phänomene KW - molecular motors KW - active processes KW - diffusion KW - random walks KW - lattice models KW - phase transitions KW - traffic jams KW - cooperative phenomena Y1 - 2003 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-0000806 ER - TY - THES A1 - Šustr, David T1 - Molecular diffusion in polyelectrolyte multilayers N2 - Research on novel and advanced biomaterials is an indispensable step towards their applications in desirable fields such as tissue engineering, regenerative medicine, cell culture, or biotechnology. The work presented here focuses on such a promising material: polyelectrolyte multilayer (PEM) composed of hyaluronic acid (HA) and poly(L-lysine) (PLL). This gel-like polymer surface coating is able to accumulate (bio-)molecules such as proteins or drugs and release them in a controlled manner. It serves as a mimic of the extracellular matrix (ECM) in composition and intrinsic properties. These qualities make the HA/PLL multilayers a promising candidate for multiple bio-applications such as those mentioned above. The work presented aims at the development of a straightforward approach for assessment of multi-fractional diffusion in multilayers (first part) and at control of local molecular transport into or from the multilayers by laser light trigger (second part). The mechanism of the loading and release is governed by the interaction of bioactives with the multilayer constituents and by the diffusion phenomenon overall. The diffusion of a molecule in HA/PLL multilayers shows multiple fractions of different diffusion rate. Approaches, that are able to assess the mobility of molecules in such a complex system, are limited. This shortcoming motivated the design of a novel evaluation tool presented here. The tool employs a simulation-based approach for evaluation of the data acquired by fluorescence recovery after photobleaching (FRAP) method. In this approach, possible fluorescence recovery scenarios are primarily simulated and afterwards compared with the data acquired while optimizing parameters of a model until a sufficient match is achieved. Fluorescent latex particles of different sizes and fluorescein in an aqueous medium are utilized as test samples validating the analysis results. The diffusion of protein cytochrome c in HA/PLL multilayers is evaluated as well. This tool significantly broadens the possibilities of analysis of spatiotemporal FRAP data, which originate from multi-fractional diffusion, while striving to be widely applicable. This tool has the potential to elucidate the mechanisms of molecular transport and empower rational engineering of the drug release systems. The second part of the work focuses on the fabrication of such a spatiotemporarily-controlled drug release system employing the HA/PLL multilayer. This release system comprises different layers of various functionalities that together form a sandwich structure. The bottom layer, which serves as a reservoir, is formed by HA/PLL PEM deposited on a planar glass substrate. On top of the PEM, a layer of so-called hybrids is deposited. The hybrids consist of thermoresponsive poly(N-isopropylacrylamide) (PNIPAM) -based hydrogel microparticles with surface-attached gold nanorods. The layer of hybrids is intended to serve as a gate that controls the local molecular transport through the PEM–solution-interface. The possibility of stimulating the molecular transport by near-infrared (NIR) laser irradiation is being explored. From several tested approaches for the deposition of hybrids onto the PEM surface, the drying-based approach was identified as optimal. Experiments, that examine the functionality of the fabricated sandwich at elevated temperature, document the reversible volume phase transition of the PEM-attached hybrids while sustaining the sandwich stability. Further, the gold nanorods were shown to effectively absorb light radiation in the tissue- and cell-friendly NIR spectral region while transducing the energy of light into heat. The rapid and reversible shrinkage of the PEM-attached hybrids was thereby achieved. Finally, dextran was employed as a model transport molecule. It loads into the PEM reservoir in a few seconds with the partition constant of 2.4, while it spontaneously releases in a slower, sustained manner. The local laser irradiation of the sandwich, which contains the fluorescein isothiocyanate tagged dextran, leads to a gradual reduction of fluorescence intensity in the irradiated region. The release system fabricated employs renowned photoresponsivity of the hybrids in an innovative setting. The results of the research are a step towards a spatially-controlled on-demand drug release system that paves the way to spatiotemporally controlled drug release. The approaches developed in this work have the potential to elucidate the molecular dynamics in ECM and to foster engineering of multilayers with properties tuned to mimic the ECM. The work aims at spatiotemporal control over the diffusion of bioactives and their presentation to the cells. N2 - Die Forschung an neuartigen und komplexen Biomaterialien ist unabdingbar für deren Einsatz in begehrten Bereichen wie der Gewebezüchtung, regenerativen Medizin, Zellkultivierung und Biotechnologie. Die hier vorgelegte Arbeit beschäftigt sich eingehend mit einem dieser vielversprechenden Materialien: Polyelektrolytische Multilayers (PEM), die aus Hyaluronsäure (Hyaluronic Acid, HA) und Poly-L-Lysin (PLL) zusammengesetzt sind. Diese gelartige Polymerbeschichtung ermöglicht es, (Bio-) Moleküle wie z.B. Proteine oder Medikamente zu akkumulieren und diese kontrolliert wieder abzugeben. Durch ihre Zusammensetzung und intrinsischen Merkmale können die PEM der Imitation einer Extrazellulären Matrix (ECM) dienen. Diese Eigenschaften machen die HA/PLL-PEM zu einem Anwärter auf verschiedene Bio-Anwendungen, wie den oben genannten. Die vorliegende Arbeit zielt auf die Entwicklung eines Ansatzes zur Einschätzung der multi-fraktionellen Diffusion in Multilayers (1. Teil), und auf die Kontrolle des lokalen molekularen Transports in und aus den Multilayers durch Laser-Stimulation (2. Teil). Der Aufnahme- und Freisetzungsmechanismus wird bestimmt von der Wechselwirkung zwischen Bioaktiva und den Bestandteilen der Multilayers, sowie allgemein vom Diffusionsprozess. Der Diffusion eines Molekül in HA/PLL-PEM weist unterschiedliche Diffusionsraten einzelner Molekülbestandteile auf. Derzeit existieren nur wenige Ansätze zur Einschätzung der Mobilität von Molekülen in derart komplexen Systemen. Diesem Mangel will die vorliegende Arbeit durch das Design eines neuartigen Evaluations-Instruments abhelfen. Dieses Instrument bedient sich eines simulationsbasierten Ansatzes zur Evaluation von Daten, die durch die fluorescence recovery after photobleaching (FRAP) -Methode erfasst wurden. Der Ansatz simuliert zunächst mögliche Szenarien der Fluoreszenz-Rückbildung, um diese anschließend mit Messdaten zu vergleichen; dazu werden Modell-Parameter angepasst, um suffiziente Vergleichswerte zu erzielen. Fluoreszierende Latex-Partikel verschiedener Größe und eine Fluoresceinlösung wurden als Kontroll- und Vergleichs-Proben verwendet, um die Ergebnisse zu überprüfen. Zusätzlich wurde die Diffusion des Proteins Cytochrom C in eine HA/PLL-PEM ausgewertet. Dieses Instrument weitet die Möglichkeiten der Analyse von spatiotemporären FRAP-Daten, die aus der multi-fraktionellen Diffusion stammen, erheblich und gleichzeitig ist es vielseitig einsetzbar. Das Instrument hat das Potential, die Mechanismen des Molekültransports weiter zu erhellen, und eine gezielte Steuerung der Freisetzung medikamentöser Wirkstoffe zu ermöglichen. Der zweite Teil der Arbeit widmet sich der Erstellung eines Systems zur spatiotemporären Wirkstofffreisetzung, das sich die HA/PLL-PEM zunutze macht. Dieses Freisetzungssystem umfasst verschiedene Lagen mit jeweils unterschiedlichen Funktionsweisen, die zusammen ein „Sandwich“ bilden. Die zugrundeliegende Schicht aus HA/PLL-PEM auf einem planaren Glassubstrat dient als Reservoir. Auf diese PEM ist eine Schicht sogenannter Hybride aufgebracht. Die Hybride bestehen aus thermoresponsiven Poly-N-Isopropylacrylamid (PNIPAM) -basierten Hydrogel-Mikropartikeln auf deren Gold-Nanostäbchen gebunden sind. Die Hybridschicht dient in der räumlichen Kontrolle des lokalen Molekültransports als „Schlupfloch“ an der Schnittstelle von PEM und Lösung. Die Möglichkeit der Stimulation des molekülaren Transports durch Bestrahlung mit einem Nah-Infrarot-Laser (NIR) wird hier untersucht. Von den mehreren getesteten Ansätzen zur Aufbringung von Hybriden auf die PEM-Oberfläche stellte sich die Trocknung als beste Möglichkeit heraus. Funktionalitätskontrollen des hergestellten Sandwiches bei erhöhter Temperatur ergaben eine reversible Volumenphasenübergang der PEM-gebundenen Hybride, wobei die Sandwich-Struktur erhalten blieb. Weiterhin wurde eine effektive Lichtabsorption durch die Gold-Nanostäbchen in den gewebe- und zellschonenden NIR-Spektrumsbereich gezeigt, wobei die aufgenommene Lichtenergie in Wärme umgewandelt wurde. Dadurch wurde eine schnelle und reversible Schrumpfung der PEM-gebundenen Hybride erreicht. Zuguterletzt wird Dextran als Modellmolekül für den Transport eingesetzt. Dieses wird in wenigen Sekunden – mit einem Verteilungskoeffizient von 2,4 – in das PEM-Reservoir aufgenommen, während es auf langsamere, anhaltende Weise freigesetzt wird. Die lokale Laser-Bestrahlung des Dextran-FITC-haltigen Sandwiches bewirkte eine schrittweise Reduktion der Fluoreszenz-Intensität in der bestrahlten Region. Das hier vorgestellte Molekül-Freisetzungssystem verwendet die vielzitierte Photoresponsivität von Hybriden auf neuartige Weise. Die Ergebnisse der Untersuchung bedeuten einen Fortschritt in Richtung eines räumlich kontrollierten, nach Bedarf steuerbaren Freisetzungs-Systems, das wiederum den Weg zu einer spatiotemporären Kontrollierbarkeit der Wirkstoff-Freisetzung bereiten könnte. Die in dieser Arbeit entwickelten Ansätze ermöglichen ein besseres Verständnis der Dynamik in der ECM, sowie die Entwicklung ECM-ähnlicher Multilayers. Die Arbeit hat die spatiotemporäre Kontrolle der Diffusion von bioaktiven Stoffen und deren Präsentation gegenüber Zellen zum Ziel. T2 - Molekulare Diffusion in Polyelektrolyt-Multischichten KW - polyelectrolyte multilayers KW - diffusion KW - simulation KW - FRAP KW - microgel KW - drug release KW - PNIPAM KW - IR laser KW - assessment of the diffusion KW - mulifractional diffusion KW - spatially and temporally controlled drug release KW - ordering of particles on the surface KW - close packing KW - dichteste Packung KW - Diffusion KW - Einschätzung der Diffusion KW - Wirkstoff-Freisetzun KW - Mikrogel KW - multi-fraktionelle Diffusion KW - Ordnung der Partikel auf der Oberfläche KW - Polyelektrolyt-Multischichten KW - Simulation KW - räumlich und zeitlich kontrollierte Wirkstoff-Freisetzung KW - FRAP KW - IR laser KW - PNIPAM Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-489038 ER - TY - THES A1 - Spallanzani, Roberta T1 - Li and B in ascending magmas: an experimental study on their mobility and isotopic fractionation T1 - Li und B in aufsteigenden Magmen: eine experimentelle Studie über ihre Mobilität und Isotopenfraktionierung N2 - This research study focuses on the behaviour of Li and B during magmatic ascent, and decompression-driven degassing related to volcanic systems. The main objective of this dissertation is to determine whether it is possible to use the diffusion properties of the two trace elements as a tool to trace magmatic ascent rate. With this objective, diffusion-couple and decompression experiments have been performed in order to study Li and B mobility in intra-melt conditions first, and then in an evolving system during decompression-driven degassing. Synthetic glasses were prepared with rhyolitic composition and an initial water content of 4.2 wt%, and all the experiments were performed using an internally heated pressure vessel, in order to ensure a precise control on the experimental parameters such as temperature and pressure. Diffusion-couple experiments were performed with a fix pressure 300 MPa. The temperature was varied in the range of 700-1250 °C with durations between 0 seconds and 24 hours. The diffusion-couple results show that Li diffusivity is very fast and starts already at very low temperature. Significant isotopic fractionation occurs due to the faster mobility of 6Li compared to 7Li. Boron diffusion is also accelerated by the presence of water, but the results of the isotopic ratios are unclear, and further investigation would be necessary to well constrain the isotopic fractionation process of boron in hydrous silicate melts. The isotopic ratios results show that boron isotopic fractionation might be affected by the speciation of boron in the silicate melt structure, as 10B and 11B tend to have tetrahedral and trigonal coordination, respectively. Several decompression experiments were performed at 900 °C and 1000 °C, with pressures going from 300 MPa to 71-77 MPa and durations of 30 minutes, two, five and ten hours, in order to trigger water exsolution and the formation of vesicles in the sample. Textural observations and the calculation of the bubble number density confirmed that the bubble size and distribution after decompression is directly proportional to the decompression rate. The overall SIMS results of Li and B show that the two trace elements tend to progressively decrease their concentration with decreasing decompression rates. This is explained because for longer decompression times, the diffusion of Li and B into the bubbles has more time to progress and the melt continuously loses volatiles as the bubbles expand their volumes. For fast decompression, Li and B results show a concentration increase with a δ7Li and δ11B decrease close to the bubble interface, related to the sudden formation of the gas bubble, and the occurrence of a diffusion process in the opposite direction, from the bubble meniscus to the unaltered melt. When the bubble growth becomes dominant and Li and B start to exsolve into the gas phase, the silicate melt close to the bubble gets depleted in Li and B, because of a stronger diffusion of the trace elements into the bubble. Our data are being applied to different models, aiming to combine the dynamics of bubble nucleation and growth with the evolution of trace elements concentration and isotopic ratios. Here, first considerations on these models will be presented, giving concluding remarks on this research study. All in all, the final remarks constitute a good starting point for further investigations. These results are a promising base to continue to study this process, and Li and B can indeed show clear dependences on decompression-related magma ascent rates in volcanic systems. N2 - Diese Forschungsstudie konzentriert sich auf das Verhalten von Li und B während des magmatischen Aufstiegs und der Druckentlastungsbedingten Entgasung im Zusammenhang mit vulkanischen Systemen. Das Hauptziel dieser Dissertation besteht darin, festzustellen, ob es möglich ist, die Diffusionseigenschaften der beiden Spurenelemente als Instrument zur Verfolgung der magmatischen Aufstiegsgeschwindigkeit zu nutzen. Unter Verwendung von synthetischen Gläsern mit rhyolitischer Zusammensetzung und einem Wassergehalt von 4,2 Gew.-% wurden Diffusionspaar- und Druckentlastungsexperimente durchgeführt, um die Mobilität von Li und B zunächst in der Schmelze und dann in einem sich entwickelnden System während der Druckentlastungsgetriebenen Entgasung zu untersuchen. Diffusionspaar wurden mit einem festen Druck von 300 MPa durchgeführt. Die Temperatur wurde im Bereich von 700-1250 °C variiert, wobei die Dauer zwischen 0 Sekunden und 24 Stunden lag. Unsere Ergebnisse zeigen, dass die Diffusionsfähigkeit von Li sehr schnell ist und bei sehr niedrigen Temperaturen auftritt. Eine Isotopenfraktionierung findet aufgrund der schnelleren Mobilität von 6Li im Vergleich zu 7Li statt. Die Diffusion von Bor wird durch die Anwesenheit von Wasser ebenfalls beschleunigt, bleibt aber langsamer als die von Li. Die Ergebnisse der Isotopenverhältnisse zeigen, dass die Bor-Isotopenfraktionierung durch die Speziation von Bor in der Silikatschmelze beeinflusst werden könnte, da 10B und 11B tendenziell eine tetraedrische bzw. trigonale Koordination aufweisen. Druckentlastungsversuche wurden bei 900 °C und 1000 °C mit Drücken von 300 MPa bis 71-77 MPa und einer Dauer von 30 Minuten, zwei, fünf und zehn Stunden durchgeführt, um die Wasserauflösung und die Bildung von Gasblasen in der Probe auszulösen. Texturbeobachtungen und die Berechnung der Blasenanzahldichte bestätigten, dass die Blasengröße und -verteilung nach der Druckentlastung direkt proportional zur Druckentlastungsrate ist. Generell zeigen die SIMS-Analysergebnisse von Li und B, dass die Konzentration der beiden Spurenelemente mit abnehmender Druckentlastungsgeschwindigkeit allmählich abnimmt. Dies ist darauf zurückzuführen, dass bei längeren Druckentlastungszeiten mehr Zeit für die Diffusion von Li und B in die Blasen zur Verfügung steht und die Schmelze kontinuierlich flüchtige Bestandteile verliert, während die Blasen ihr Volumen ausdehnen. Bei schnellen Druckentlastungen zeigen die Li- und B-Ergebnisse einen Konzentrationsanstieg mit einer δ7Li- und δ11B-Abnahme in der Nähe der Blasengrenzfläche, was mit der plötzlichen Bildung der Glasbläser und dem Auftreten eines Diffusionsprozesses in der entgegengesetzten Richtung, vom Blasenmeniskus zur unveränderten Schmelze, zusammenhängt. Wenn das Blasenwachstum dominiert und Li und B in die Gasphase übergehen, verarmt die Silikat Schmelze in der Nähe der Blase an Li und B, da die Spurenelemente stärker in die Blase diffundieren. Unsere Daten werden auf verschiedene Modelle angewandt, die darauf abzielen, die Dynamik der Blasenkernbildung und des Blasenwachstums mit der Entwicklung der Spurenelementkonzentration und des Isotopenverhältnisses zu kombinieren. Hier werden erste Überlegungen zu diesen Modellen vorgestellt und abschließende Bemerkungen zu dieser Forschungsstudie gemacht. Diese Ergebnisse sind eine vielversprechende Grundlage für die weitere Untersuchung von Li und B, um dekompressionsbedingte Magma-Aufstiegsraten in vulkanischen Systemen zu ermitteln. KW - magma degassing KW - diffusion KW - stable isotopes KW - isotopic fractionation KW - Diffusion KW - Isotopenfraktionierung KW - Magma-Entgasung KW - stabile Isotope Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-560619 ER - TY - JOUR A1 - Thapa, Samudrajit A1 - Wyłomańska, Agnieszka A1 - Sikora, Grzegorz A1 - Wagner, Caroline E. A1 - Krapf, Diego A1 - Kantz, Holger A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Leveraging large-deviation statistics to decipher the stochastic properties of measured trajectories JF - New Journal of Physics N2 - Extensive time-series encoding the position of particles such as viruses, vesicles, or individualproteins are routinely garnered insingle-particle tracking experiments or supercomputing studies.They contain vital clues on how viruses spread or drugs may be delivered in biological cells.Similar time-series are being recorded of stock values in financial markets and of climate data.Such time-series are most typically evaluated in terms of time-averaged mean-squareddisplacements (TAMSDs), which remain random variables for finite measurement times. Theirstatistical properties are different for differentphysical stochastic processes, thus allowing us toextract valuable information on the stochastic process itself. To exploit the full potential of thestatistical information encoded in measured time-series we here propose an easy-to-implementand computationally inexpensive new methodology, based on deviations of the TAMSD from itsensemble average counterpart. Specifically, we use the upper bound of these deviations forBrownian motion (BM) to check the applicability of this approach to simulated and real data sets.By comparing the probability of deviations fordifferent data sets, we demonstrate how thetheoretical bound for BM reveals additional information about observed stochastic processes. Weapply the large-deviation method to data sets of tracer beads tracked in aqueous solution, tracerbeads measured in mucin hydrogels, and of geographic surface temperature anomalies. Ouranalysis shows how the large-deviation properties can be efficiently used as a simple yet effectiveroutine test to reject the BM hypothesis and unveil relevant information on statistical propertiessuch as ergodicity breaking and short-time correlations. KW - diffusion KW - anomalous diffusion KW - large-deviation statistic KW - time-averaged mean squared displacement KW - Chebyshev inequality Y1 - 2020 U6 - https://doi.org/10.1088/1367-2630/abd50e SN - 1367-2630 VL - 23 PB - Dt. Physikalische Ges. ; IOP CY - Bad Honnef ; London ER - TY - GEN A1 - Thapa, Samudrajit A1 - Wyłomańska, Agnieszka A1 - Sikora, Grzegorz A1 - Wagner, Caroline E. A1 - Krapf, Diego A1 - Kantz, Holger A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Leveraging large-deviation statistics to decipher the stochastic properties of measured trajectories T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - Extensive time-series encoding the position of particles such as viruses, vesicles, or individualproteins are routinely garnered insingle-particle tracking experiments or supercomputing studies.They contain vital clues on how viruses spread or drugs may be delivered in biological cells.Similar time-series are being recorded of stock values in financial markets and of climate data.Such time-series are most typically evaluated in terms of time-averaged mean-squareddisplacements (TAMSDs), which remain random variables for finite measurement times. Theirstatistical properties are different for differentphysical stochastic processes, thus allowing us toextract valuable information on the stochastic process itself. To exploit the full potential of thestatistical information encoded in measured time-series we here propose an easy-to-implementand computationally inexpensive new methodology, based on deviations of the TAMSD from itsensemble average counterpart. Specifically, we use the upper bound of these deviations forBrownian motion (BM) to check the applicability of this approach to simulated and real data sets.By comparing the probability of deviations fordifferent data sets, we demonstrate how thetheoretical bound for BM reveals additional information about observed stochastic processes. Weapply the large-deviation method to data sets of tracer beads tracked in aqueous solution, tracerbeads measured in mucin hydrogels, and of geographic surface temperature anomalies. Ouranalysis shows how the large-deviation properties can be efficiently used as a simple yet effectiveroutine test to reject the BM hypothesis and unveil relevant information on statistical propertiessuch as ergodicity breaking and short-time correlations. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1118 KW - diffusion KW - anomalous diffusion KW - large-deviation statistic KW - time-averaged mean squared displacement KW - Chebyshev inequality Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-493494 SN - 1866-8372 IS - 1118 ER - TY - THES A1 - Roder, Phillip T1 - Kombination von Fluoreszenzmikroskopie und Rasterkraftmikroskopie zur Aufklärung physiologischer Prozesse in lebenden Zellen T1 - Combination of fluorescence microscopy and atomic force microscopy for the investigation of physiological processes in living cells BT - Charakterisierung und Anwendung einer neuartigen lokalen Mikromanipulationstechnik BT - characterisation and application of a novel local micromanipulation technique N2 - Innerhalb dieser Doktorarbeit wurde eine neuartige Mikromanipulationstechnik für die lokale Flüssigkeitsabgabe am komplexen Drüsengewebe der Schabe P. americana charakterisiert und für die damit verbundene gezielte Manipulation von einzelnen Zellen in einem Zellkomplex (Gewebe) angewandt. Bei dieser Mikromanipulationstechnik handelt es sich um die seit 2009 bekannte nanofluidische Rasterkraftmikroskopie (FluidFM = fluidic force microscopy). Dabei werden sehr kleine mikrokanälige Rasterkraftspitzen bzw. Mikro-/Nanopipetten mit einer Öffnung zwischen 300 nm und 2 µm verwendet, mit denen es möglich ist, sehr kleine Volumina im Pikoliter- bis Femtoliter-Bereich (10-12 L – 10-15 L) gezielt und ortsgenau abzugeben. Das Ziel dieser Arbeit war die Analyse zellulärer Prozesse, wie z. B. Zell-Zell-Kommunikation oder Signalweiterleitung, zwischen benachbarten Zellen unter Zuhilfenahme der Fluoreszenzmikroskopie. Mit dieser Methode können die Zellen und ihre Bestandteile mittels vorheriger Farbstoffbeladung unter einem Mikroskop mit hohem Kontrast optisch dargestellt werden. Mit Hilfe der Fluoreszenzmikroskopie sollten schlussendlich die zellulären Reaktionen innerhalb des Gewebes nach der lokalen Manipulation visualisiert werden. Zunächst wurde die Anwendung des Systems an Luft und wässriger Umgebung beschrieben. In diesem Zusammenhang wurde eine Reinigungs- und Beladungsmethode entwickelt, mit der es möglich war, die kostspieligen Mikro-/Nanopipetten zu reinigen und anschließend mehrmals wiederzuverwenden. Hierzu wurde eine alternative Methode getestet, mit der das Diffusionsverhalten von Farbstoffmolekülen in unterschiedlichen Medien untersucht werden kann. Des Weiteren wurden die Systemparameter optimiert, welche nötig sind, um zwischen der Probenoberfläche und der Pipette einen guten Pipettenöffnungs-abschluss zu erhalten. Dieser Abschluss ist essentiell, damit die abgegebene Flüssigkeit ausschließlich in der Abgaberegion mit der Probe wechselwirkt und die darauffolgenden Reaktionen nur innerhalb des Gewebes erfolgen, da ansonsten die Zell-Zell-Signalweiterleitung zwischen den Zellen nicht eindeutig nachvollzogen werden kann. Diese interzelluläre Kommunikation wurde anhand zweier sekundärer Botenstoffe (Ca2+ und NO) untersucht. Hierbei war es möglich einzelne lokale Reaktionen zu detektieren, welche sich über weitere Zellen ausbreiteten. Schlussendlich wurde die Fertigung einer speziellen Injektionspipette beschrieben, welche an zwei biologischen Systemen getestet wurde. N2 - Within this thesis, a novel micromanipulation technique was characterised for the local liquid delivery at the complex salivary glands tissue of the cockroach P. americana and was applied for the associated targeted manipulation of single cells in a cell complex (tissue). This micromanipulation technique is known since 2009 as the fluidic force microscopy (FluidFM) technique. In this case, very small microchanneled AFM tips or rather micro-/nanopipettes with an opening between 300 nm and 2 μm are used to deliver very small volumes in the picoliter to femtoliter range (10-12 L - 10-15 L) targeted and accurate. The aim of this work was the analysis of cellular processes, such as cell-cell communication or signal transduction, between adjacent cells using fluorescence microscopy. Using this method, the cells and their components can be optically visualised by prior dye loading under a microscope with high contrast. Using fluorescence microscopy, the cellular responses within the tissue were finally visualised after local manipulation. First, the application of the system in air and aqueous environment was described. In this context, a cleaning and loading method was developed which allows the cleaning and the repeated reuse of the expensive micro-/nanopipettes. For this purpose, an alternative method has been tested, with which the diffusion of dye molecules in different media can be examined. Furthermore, the system parameters needed to obtain a good pipette opening sealing between the sample surface and the pipette have been optimised. This sealing is essential to ensure that the delivered liquid interacts only with the sample in the delivery region and that subsequent reactions occur only within the tissue, otherwise cell-cell signaling between the cells can not be clearly understood. This intercellular communication was studied by means of two secondary messengers (Ca2+ and NO). Here it was possible to detect individual local reactions that spread over more cells. Finally, the production of a special injection pipette was described, which was tested on two biological systems. KW - Rasterkraftmikroskopie KW - Fluoreszenzmikroskopie KW - Mikromanipulation KW - Zellgewebe KW - Diffusion KW - atomic force microscopy KW - fluorescence microscopy KW - micromanipulation KW - cellular tissue KW - diffusion Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-419806 ER - TY - JOUR A1 - Seiß, Martin A1 - Albers, Nicole A1 - Sremčević, Miodrag A1 - Schmidt, Jürgen A1 - Salo, Heikki A1 - Seiler, Michael A1 - Hoffmann, Holger A1 - Spahn, Frank T1 - Hydrodynamic Simulations of Moonlet-induced Propellers in Saturn's Rings BT - Application to Bleriot JF - The astronomical journal N2 - One of the biggest successes of the Cassini mission is the detection of small moons (moonlets) embedded in Saturns rings that cause S-shaped density structures in their close vicinity, called propellers. Here, we present isothermal hydrodynamic simulations of moonlet-induced propellers in Saturn's A ring that denote a further development of the original model. We find excellent agreement between these new hydrodynamic and corresponding N-body simulations. Furthermore, the hydrodynamic simulations confirm the predicted scaling laws and the analytical solution for the density in the propeller gaps. Finally, this mean field approach allows us to simulate the pattern of the giant propeller Blériot, which is too large to be modeled by direct N-body simulations. Our results are compared to two stellar occultation observations by the Cassini Ultraviolet Imaging Spectrometer (UVIS), which intersect the propeller Blériot. Best fits to the UVIS optical depth profiles are achieved for a Hill radius of 590 m, which implies a moonlet diameter of about 860 m. Furthermore, the model favors a kinematic shear viscosity of the surrounding ring material of ν0 = 340 cm2 s−1, a dispersion velocity in the range of 0.3 cm s−1 < c0 < 1.5 cm s−1, and a fairly high bulk viscosity 7 < ξ0/ν0 < 17. These large transport values might be overestimated by our isothermal ring model and should be reviewed by an extended model including thermal fluctuations. KW - diffusion KW - hydrodynamics KW - planets and satellites: rings Y1 - 2018 U6 - https://doi.org/10.3847/1538-3881/aaed44 SN - 0004-6256 SN - 1538-3881 VL - 157 IS - 1 PB - IOP Publishing Ltd. CY - Bristol ER - TY - JOUR A1 - Prokopovic, Vladimir Z. A1 - Duschl, Claus A1 - Volodkin, Dmitry T1 - Hyaluronic Acid/Poly-l-Lysine Multilayers as Reservoirs for Storage and Release of Small Charged Molecules JF - Macromolecular bioscience N2 - Polyelectrolyte multilayer films are nowadays very attractive for bioapplications due to their tunable properties and ability to control cellular response. Here we demonstrate that multilayers made of hyaluronic acid and poly-l-lysine act as high-capacity reservoirs for small charged molecules. Strong accumulation within the film is explained by electrostatically driven binding to free charges of polyelectrolytes. Binding and release mechanisms are discussed based on charge balance and polymer dynamics in the film. Our results show that transport of molecules through the film-solution interface limits the release rate. The multilayers might serve as an effective platform for drug delivery and tissue engineering due to high potential for drug loading and controlled release. KW - diffusion KW - drug delivery KW - dye KW - release mechanism Y1 - 2015 U6 - https://doi.org/10.1002/mabi.201500093 SN - 1616-5187 SN - 1616-5195 VL - 15 IS - 10 SP - 1357 EP - 1363 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Palyulin, Vladimir V. A1 - Metzler, Ralf T1 - How a finite potential barrier decreases the mean first-passage time JF - Journal of statistical mechanics: theory and experiment N2 - We consider the mean first-passage time of a random walker moving in a potential landscape on a finite interval, the starting and end points being at different potentials. From analytical calculations and Monte Carlo simulations we demonstrate that the mean first-passage time for a piecewise linear curve between these two points is minimized by the introduction of a potential barrier. Due to thermal fluctuations, this barrier may be crossed. It turns out that the corresponding expense for this activation is less severe than the gain from an increased slope towards the end point. In particular, the resulting mean first-passage time is shorter than for a linear potential drop between the two points. KW - diffusion Y1 - 2012 U6 - https://doi.org/10.1088/1742-5468/2012/03/L03001 SN - 1742-5468 IS - 1 PB - IOP Publ. Ltd. CY - Bristol ER - TY - GEN A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - From single-particle stochastic kinetics to macroscopic reaction rates BT - fastest first-passage time of N random walkers T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - We consider the first-passage problem for N identical independent particles that are initially released uniformly in a finite domain Ω and then diffuse toward a reactive area Γ, which can be part of the outer boundary of Ω or a reaction centre in the interior of Ω. For both cases of perfect and partial reactions, we obtain the explicit formulas for the first two moments of the fastest first-passage time (fFPT), i.e., the time when the first out of the N particles reacts with Γ. Moreover, we investigate the full probability density of the fFPT. We discuss a significant role of the initial condition in the scaling of the average fFPT with the particle number N, namely, a much stronger dependence (1/N and 1/N² for partially and perfectly reactive targets, respectively), in contrast to the well known inverse-logarithmic behaviour found when all particles are released from the same fixed point. We combine analytic solutions with scaling arguments and stochastic simulations to rationalise our results, which open new perspectives for studying the relevance of multiple searchers in various situations of molecular reactions, in particular, in living cells. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1018 KW - diffusion KW - first-passage KW - fastest first-passage time of N walkers Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-484059 SN - 1866-8372 IS - 1018 ER - TY - JOUR A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - From single-particle stochastic kinetics to macroscopic reaction rates BT - fastest first-passage time of N random walkers JF - New Journal of Physics N2 - We consider the first-passage problem for N identical independent particles that are initially released uniformly in a finite domain Ω and then diffuse toward a reactive area Γ, which can be part of the outer boundary of Ω or a reaction centre in the interior of Ω. For both cases of perfect and partial reactions, we obtain the explicit formulas for the first two moments of the fastest first-passage time (fFPT), i.e., the time when the first out of the N particles reacts with Γ. Moreover, we investigate the full probability density of the fFPT. We discuss a significant role of the initial condition in the scaling of the average fFPT with the particle number N, namely, a much stronger dependence (1/N and 1/N² for partially and perfectly reactive targets, respectively), in contrast to the well known inverse-logarithmic behaviour found when all particles are released from the same fixed point. We combine analytic solutions with scaling arguments and stochastic simulations to rationalise our results, which open new perspectives for studying the relevance of multiple searchers in various situations of molecular reactions, in particular, in living cells. KW - diffusion KW - first-passage KW - fastest first-passage time of N walkers Y1 - 2020 U6 - https://doi.org/10.1088/1367-2630/abb1de SN - 1367-2630 VL - 22 PB - Dt. Physikalische Ges. CY - Bad Honnef ER - TY - JOUR A1 - Grätz, Fabio M. A1 - Seiss, Martin A1 - Spahn, Frank T1 - Formation of moon-induced gaps in dense planetary rings BT - application to the rings of saturn JF - The astrophysical journal : an international review of spectroscopy and astronomical physics N2 - We develop an axisymmetric diffusion model to describe radial density profiles in the vicinity of tiny moons embedded in planetary rings. Our diffusion model accounts for the gravitational scattering of the ring particles by an embedded moon and for the viscous diffusion of the ring matter back into the gap. With test particle simulations, we show that the scattering of the ring particles passing the moon is larger for small impact parameters than estimated by Goldreich & Tremaine and Namouni. This is significant for modeling the Keeler gap. We apply our model to the gaps of the moons Pan and Daphnis embedded in the outer A ring of Saturn with the aim to estimate the shear viscosity of the ring in the vicinity of the Encke and Keeler gap. In addition, we analyze whether tiny icy moons whose dimensions lie below Cassini's resolution capabilities would be able to explain the gap structure of the C ring and the Cassini division. KW - diffusion KW - planets and satellites: rings KW - scattering Y1 - 2018 U6 - https://doi.org/10.3847/1538-4357/aace00 SN - 0004-637X SN - 1538-4357 VL - 862 IS - 2 PB - IOP Publ. Ltd. CY - Bristol ER - TY - GEN A1 - Woodfield, Emma E. A1 - Horne, Richard B. A1 - Glauert, Sarah A. A1 - Menietti, John D. A1 - Shprits, Yuri Y. A1 - Kurth, William S. T1 - Formation of electron radiation belts at Saturn by Z-mode wave acceleration T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - At Saturn electrons are trapped in the planet's magnetic field and accelerated to relativistic energies to form the radiation belts, but how this dramatic increase in electron energy occurs is still unknown. Until now the mechanism of radial diffusion has been assumed but we show here that in-situ acceleration through wave particle interactions, which initial studies dismissed as ineffectual at Saturn, is in fact a vital part of the energetic particle dynamics there. We present evidence from numerical simulations based on Cassini spacecraft data that a particular plasma wave, known as Z-mode, accelerates electrons to MeV energies inside 4 R-S (1 R-S = 60,330 km) through a Doppler shifted cyclotron resonant interaction. Our results show that the Z-mode waves observed are not oblique as previously assumed and are much better accelerators than O-mode waves, resulting in an electron energy spectrum that closely approaches observed values without any transport effects included. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1032 KW - astrophysical plasmas KW - giant planets KW - magnetospheric physics KW - diffusion KW - pitch angle KW - plasma KW - radio KW - region Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-468342 SN - 1866-8372 IS - 1032 ER - TY - JOUR A1 - Sposini, Vittoria A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - First passage statistics for diffusing diffusivity JF - Journal of physics : A, Mathematical and theoretical N2 - A rapidly increasing number of systems is identified in which the stochastic motion of tracer particles follows the Brownian law < r(2)(t)> similar or equal to Dt yet the distribution of particle displacements is strongly non-Gaussian. A central approach to describe this effect is the diffusing diffusivity (DD) model in which the diffusion coefficient itself is a stochastic quantity, mimicking heterogeneities of the environment encountered by the tracer particle on its path. We here quantify in terms of analytical and numerical approaches the first passage behaviour of the DD model. We observe significant modifications compared to Brownian-Gaussian diffusion, in particular that the DD model may have a faster first passage dynamics. Moreover we find a universal crossover point of the survival probability independent of the initial condition. KW - diffusion KW - superstatistics KW - first passage Y1 - 2018 U6 - https://doi.org/10.1088/1751-8121/aaf6ff SN - 1751-8113 SN - 1751-8121 VL - 52 IS - 4 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Mutothya, Nicholas Mwilu A1 - Xu, Yong A1 - Li, Yongge A1 - Metzler, Ralf A1 - Mutua, Nicholas Muthama T1 - First passage dynamics of stochastic motion in heterogeneous media driven by correlated white Gaussian and coloured non-Gaussian noises JF - Journal of physics. Complexity N2 - We study the first passage dynamics for a diffusing particle experiencing a spatially varying diffusion coefficient while driven by correlated additive Gaussian white noise and multiplicative coloured non-Gaussian noise. We consider three functional forms for position dependence of the diffusion coefficient: power-law, exponential, and logarithmic. The coloured non-Gaussian noise is distributed according to Tsallis' q-distribution. Tracks of the non-Markovian systems are numerically simulated by using the fourth-order Runge-Kutta algorithm and the first passage times (FPTs) are recorded. The FPT density is determined along with the mean FPT (MFPT). Effects of the noise intensity and self-correlation of the multiplicative noise, the intensity of the additive noise, the cross-correlation strength, and the non-extensivity parameter on the MFPT are discussed. KW - first passage KW - diffusion KW - non-Gaussian KW - correlated noise Y1 - 2021 U6 - https://doi.org/10.1088/2632-072X/ac35b5 SN - 2632-072X VL - 2 PB - IOP Publishing CY - Bristol ER - TY - JOUR A1 - Shin, Jaeoh A1 - Cherstvy, Andrey G. A1 - Kim, Won Kyu A1 - Metzler, Ralf T1 - Facilitation of polymer looping and giant polymer diffusivity in crowded solutions of active particles JF - New journal of physics : the open-access journal for physics N2 - We study the dynamics of polymer chains in a bath of self-propelled particles (SPP) by extensive Langevin dynamics simulations in a two-dimensional model system. Specifically, we analyse the polymer looping properties versus the SPP activity and investigate how the presence of the active particles alters the chain conformational statistics. We find that SPPs tend to extend flexible polymer chains, while they rather compactify stiffer semiflexible polymers, in agreement with previous results. Here we show that higher activities of SPPs yield a higher effective temperature of the bath and thus facilitate the looping kinetics of a passive polymer chain. We explicitly compute the looping probability and looping time in a wide range of the model parameters. We also analyse the motion of a monomeric tracer particle and the polymer's centre of mass in the presence of the active particles in terms of the time averaged mean squared displacement, revealing a giant diffusivity enhancement for the polymer chain via SPP pooling. Our results are applicable to rationalising the dimensions and looping kinetics of biopolymers at constantly fluctuating and often actively driven conditions inside biological cells or in suspensions of active colloidal particles or bacteria cells. KW - diffusion KW - active transport KW - polymers Y1 - 2015 U6 - https://doi.org/10.1088/1367-2630/17/11/113008 SN - 1367-2630 VL - 17 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Grebenkov, Denis S. A1 - Sposini, Vittoria A1 - Metzler, Ralf A1 - Oshanin, Gleb A1 - Seno, Flavio T1 - Exact distributions of the maximum and range of random diffusivity processes JF - New Journal of Physics N2 - We study the extremal properties of a stochastic process xt defined by the Langevin equation ẋₜ =√2Dₜ ξₜ, in which ξt is a Gaussian white noise with zero mean and Dₜ is a stochastic‘diffusivity’, defined as a functional of independent Brownian motion Bₜ.We focus on threechoices for the random diffusivity Dₜ: cut-off Brownian motion, Dₜt ∼ Θ(Bₜ), where Θ(x) is the Heaviside step function; geometric Brownian motion, Dₜ ∼ exp(−Bₜ); and a superdiffusive process based on squared Brownian motion, Dₜ ∼ B²ₜ. For these cases we derive exact expressions for the probability density functions of the maximal positive displacement and of the range of the process xₜ on the time interval ₜ ∈ (0, T).We discuss the asymptotic behaviours of the associated probability density functions, compare these against the behaviour of the corresponding properties of standard Brownian motion with constant diffusivity (Dₜ = D0) and also analyse the typical behaviour of the probability density functions which is observed for a majority of realisations of the stochastic diffusivity process. KW - random diffusivity KW - extremal values KW - maximum and range KW - diffusion KW - Brownian motion Y1 - 2021 U6 - https://doi.org/10.1088/1367-2630/abd313 SN - 1367-2630 VL - 23 PB - Dt. Physikalische Ges. CY - Bad Honnef ER - TY - GEN A1 - Grebenkov, Denis S. A1 - Sposini, Vittoria A1 - Metzler, Ralf A1 - Oshanin, Gleb A1 - Seno, Flavio T1 - Exact distributions of the maximum and range of random diffusivity processes T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - We study the extremal properties of a stochastic process xt defined by the Langevin equation ẋₜ =√2Dₜ ξₜ, in which ξt is a Gaussian white noise with zero mean and Dₜ is a stochastic‘diffusivity’, defined as a functional of independent Brownian motion Bₜ.We focus on threechoices for the random diffusivity Dₜ: cut-off Brownian motion, Dₜt ∼ Θ(Bₜ), where Θ(x) is the Heaviside step function; geometric Brownian motion, Dₜ ∼ exp(−Bₜ); and a superdiffusive process based on squared Brownian motion, Dₜ ∼ B²ₜ. For these cases we derive exact expressions for the probability density functions of the maximal positive displacement and of the range of the process xₜ on the time interval ₜ ∈ (0, T).We discuss the asymptotic behaviours of the associated probability density functions, compare these against the behaviour of the corresponding properties of standard Brownian motion with constant diffusivity (Dₜ = D0) and also analyse the typical behaviour of the probability density functions which is observed for a majority of realisations of the stochastic diffusivity process. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1142 KW - random diffusivity KW - extremal values KW - maximum and range KW - diffusion KW - Brownian motion Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-503976 SN - 1866-8372 IS - 1142 ER - TY - JOUR A1 - Cherstvy, Andrey G. A1 - Metzler, Ralf T1 - Ergodicity breaking, ageing, and confinement in generalized diffusion processes with position and time dependent diffusivity JF - Journal of statistical mechanics: theory and experiment N2 - We study generalized anomalous diffusion processes whose diffusion coefficient D(x, t) similar to D-0x(alpha)t(beta) depends on both the position x of the test particle and the process time t. This process thus combines the features of scaled Brownian motion and heterogeneous diffusion parent processes. We compute the ensemble and time averaged mean squared displacements of this generalized diffusion process. The scaling exponent of the ensemble averaged mean squared displacement is shown to be the product of the critical exponents of the parent processes, and describes both subdiffusive and superdiffusive systems. We quantify the amplitude fluctuations of the time averaged mean squared displacement as function of the length of the time series and the lag time. In particular, we observe a weak ergodicity breaking of this generalized diffusion process: even in the long time limit the ensemble and time averaged mean squared displacements are strictly disparate. When we start to observe this process some time after its initiation we observe distinct features of ageing. We derive a universal ageing factor for the time averaged mean squared displacement containing all information on the ageing time and the measurement time. External confinement is shown to alter the magnitudes and statistics of the ensemble and time averaged mean squared displacements. KW - diffusion Y1 - 2015 U6 - https://doi.org/10.1088/1742-5468/2015/05/P05010 SN - 1742-5468 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Shoaee, Safa A1 - Sanna, Anna Laura A1 - Sforazzini, Giuseppe T1 - Elucidating charge generation in green-solvent processed organic solar cells JF - Molecules : a journal of synthetic chemistry and natural product chemistry / Molecular Diversity Preservation International N2 - Organic solar cells have the potential to become the cheapest form of electricity. Rapid increase in the power conversion efficiency of organic solar cells (OSCs) has been achieved with the development of non-fullerene small-molecule acceptors. Next generation photovoltaics based upon environmentally benign "green solvent" processing of organic semiconductors promise a step-change in the adaptability and versatility of solar technologies and promote sustainable development. However, high-performing OSCs are still processed by halogenated (non-environmentally friendly) solvents, so hindering their large-scale manufacture. In this perspective, we discuss the recent progress in developing highly efficient OSCs processed from eco-compatible solvents, and highlight research challenges that should be addressed for the future development of high power conversion efficiencies devices. KW - organic solar cells KW - green solvents KW - non-halogenated solvents KW - exaction KW - diffusion KW - photoluminescence quenching Y1 - 2021 U6 - https://doi.org/10.3390/molecules26247439 SN - 1420-3049 VL - 26 IS - 24 PB - MDPI CY - Basel ER - TY - GEN A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - Distribution of first-reaction times with target regions on boundaries of shell-like domains T2 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - We study the probability density function (PDF) of the first-reaction times between a diffusive ligand and a membrane-bound, immobile imperfect target region in a restricted 'onion-shell' geometry bounded by two nested membranes of arbitrary shapes. For such a setting, encountered in diverse molecular signal transduction pathways or in the narrow escape problem with additional steric constraints, we derive an exact spectral form of the PDF, as well as present its approximate form calculated by help of the so-called self-consistent approximation. For a particular case when the nested domains are concentric spheres, we get a fully explicit form of the approximated PDF, assess the accuracy of this approximation, and discuss various facets of the obtained distributions. Our results can be straightforwardly applied to describe the PDF of the terminal reaction event in multi-stage signal transduction processes. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1255 KW - diffusion KW - first-passage time KW - first-reaction time KW - shell-like geometries KW - approximate methods Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-557542 SN - 1866-8372 SP - 1 EP - 23 PB - Universitätsverlag Potsdam CY - Potsdam ER - TY - JOUR A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - Distribution of first-reaction times with target regions on boundaries of shell-like domains JF - New Journal of Physics (NJP) N2 - We study the probability density function (PDF) of the first-reaction times between a diffusive ligand and a membrane-bound, immobile imperfect target region in a restricted 'onion-shell' geometry bounded by two nested membranes of arbitrary shapes. For such a setting, encountered in diverse molecular signal transduction pathways or in the narrow escape problem with additional steric constraints, we derive an exact spectral form of the PDF, as well as present its approximate form calculated by help of the so-called self-consistent approximation. For a particular case when the nested domains are concentric spheres, we get a fully explicit form of the approximated PDF, assess the accuracy of this approximation, and discuss various facets of the obtained distributions. Our results can be straightforwardly applied to describe the PDF of the terminal reaction event in multi-stage signal transduction processes. KW - diffusion KW - first-passage time KW - first-reaction time KW - shell-like geometries KW - approximate methods Y1 - 2021 U6 - https://doi.org/10.1088/1367-2630/ac4282 SN - 1367-2630 VL - 2021 SP - 1 EP - 23 PB - IOP Publishing CY - London ET - 23 ER - TY - THES A1 - Ansel, Simon T1 - Die Diffusion von Innovationen in deutschen Kommunen T1 - Diffusion of e-government at the local level BT - eine Untersuchung zu Komponenten des E-Governement BT - empirical evidence from German municipalities N2 - Die fortschreitende Diffusion von E-Government ist ein Phänomen, dem in der internationa-len Forschungsliteratur bereits viel Aufmerksamkeit zu Teil wurde. Erstaunlich wenige Studien widmen sich bislang jedoch dezidiert dem Faktor Interdependenz, der eigentlichen Ursache von Diffusionsprozessen. In dieser Arbeit werden Interdependenzbeziehungen anhand dreier spezifischer Mechanismen der Diffusion, namentlich „Nachahmung“, „Wettbewerb“ und „Lernen“, untersucht. Auf Basis einer empirischen Analyse mit Daten zur Einführung von E-Government-Komponenten in 183 deutschen Städten über den Zeitraum von 1995 bis 2014 konnte ein Einfluss der Mechanismen „Nachahmung“ und „Lernen“ auf das Innovationsverhalten von Kommunen festgestellt werden. Für das Vorliegen von Wettbe-werbsdynamiken ließen sich demgegenüber keine Anhaltspunkte finden. Für zukünftige Forschungen zur Diffusion von Innovationen wird angeregt, verstärkt an die mechanismen- und prozessbasierte Perspektive von Diffusion als theoretischem Rahmenkonzept anzuknüpfen. N2 - The ongoing diffusion of e-government is a phenomenon that has already attracted consid-erable attention in the international research literature. However, few studies have so far focused on the factor of interdependence, the root cause of diffusion processes. This paper deals with interdependence by specifying three causal mechanisms of diffusion, namely "imitation", "competition" and "learning". Drawing upon data collected on the introduction of e-government in 183 German cities over the period from 1995-2014, the empirical analysis identified "imitation" and "learning" as predictors of municipal innovative behavior. Furthermore, no evidence was found supporting the role of “competition”. With regard to future research on innovation diffusion, it is suggested to incorporate the mechanism- and process-based perspective of diffusion as a theoretical framework. T3 - Schriftenreihe für Public und Nonprofit Management - 20 KW - Diffusion KW - E-Government KW - eGovernment KW - öffentlicher Sektor KW - Kommune KW - kommunal KW - diffusion KW - e-government KW - electronic government KW - public sector KW - local KW - municipal KW - Nachahmung KW - Wettbewerb KW - Lernen KW - imitation KW - competition KW - learning Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-80370 SN - 2190-4561 ER - TY - JOUR A1 - Magdziarz, Marcin A1 - Metzler, Ralf A1 - Szczotka, Wladyslaw A1 - Zebrowski, Piotr T1 - Correlated continuous-time random walks-scaling limits and Langevin picture JF - Journal of statistical mechanics: theory and experiment N2 - In this paper we analyze correlated continuous-time random walks introduced recently by Tejedor and Metzler (2010 J. Phys. A: Math. Theor. 43 082002). We obtain the Langevin equations associated with this process and the corresponding scaling limits of their solutions. We prove that the limit processes are self-similar and display anomalous dynamics. Moreover, we extend the model to include external forces. Our results are confirmed by Monte Carlo simulations. KW - stochastic processes (theory) KW - diffusion Y1 - 2012 U6 - https://doi.org/10.1088/1742-5468/2012/04/P04010 SN - 1742-5468 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Dal Bianco, Andrea A1 - Wischke, Christian A1 - Zhou, Shuo A1 - Lendlein, Andreas T1 - Controlling surface properties and permeability of polyglycerol network films JF - Polymers for advanced technologies N2 - While branched polyglycerol (PG)-based molecules are well established as hydrophilic particles, the capacity of utilizing PG in bulk materials and opportunities arising by their further surface functionalization have only recently been considered. Here we investigated how the mold used in PG network synthesis may affect surface composition and how the permeability of substances through PG can be controlled by altering network structure, i.e. introducing 20mol% oligoethylene glycol (OEG) bifunctional spacer molecules. Overall, PG-based bulk network materials were shown to be tailorable, hydrophilic, low swelling and relatively stiff polyether-based materials, with low impact of salt onto material properties. Based on these features, but also on the principal capacity of free hydroxyl groups to be used for functionalization reactions, these materials may be an interesting platform for medical and technical applications, e.g. as diffusion-rate controlling membrane in aqueous environment. Copyright (c) 2016 John Wiley & Sons, Ltd. KW - polyglycerol KW - surface properties KW - diffusion KW - network structure Y1 - 2017 U6 - https://doi.org/10.1002/pat.3917 SN - 1042-7147 SN - 1099-1581 VL - 28 SP - 1263 EP - 1268 PB - Wiley CY - Hoboken ER - TY - GEN A1 - Granado, Felipe Le Vot A1 - Abad, Enrique A1 - Metzler, Ralf A1 - Yuste, Santos B. T1 - Continuous time random walk in a velocity field BT - role of domain growth, Galilei-invariant advection-diffusion, and kinetics of particle mixing T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - We consider the emerging dynamics of a separable continuous time random walk (CTRW) in the case when the random walker is biased by a velocity field in a uniformly growing domain. Concrete examples for such domains include growing biological cells or lipid vesicles, biofilms and tissues, but also macroscopic systems such as expanding aquifers during rainy periods, or the expanding Universe. The CTRW in this study can be subdiffusive, normal diffusive or superdiffusive, including the particular case of a Lévy flight. We first consider the case when the velocity field is absent. In the subdiffusive case, we reveal an interesting time dependence of the kurtosis of the particle probability density function. In particular, for a suitable parameter choice, we find that the propagator, which is fat tailed at short times, may cross over to a Gaussian-like propagator. We subsequently incorporate the effect of the velocity field and derive a bi-fractional diffusion-advection equation encoding the time evolution of the particle distribution. We apply this equation to study the mixing kinetics of two diffusing pulses, whose peaks move towards each other under the action of velocity fields acting in opposite directions. This deterministic motion of the peaks, together with the diffusive spreading of each pulse, tends to increase particle mixing, thereby counteracting the peak separation induced by the domain growth. As a result of this competition, different regimes of mixing arise. In the case of Lévy flights, apart from the non-mixing regime, one has two different mixing regimes in the long-time limit, depending on the exact parameter choice: in one of these regimes, mixing is mainly driven by diffusive spreading, while in the other mixing is controlled by the velocity fields acting on each pulse. Possible implications for encounter–controlled reactions in real systems are discussed. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1005 KW - diffusion KW - expanding medium KW - continuous time random walk Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-479997 SN - 1866-8372 IS - 1005 SP - 28 ER - TY - JOUR A1 - Granado, Felipe Le Vot A1 - Abad, Enrique A1 - Metzler, Ralf A1 - Yuste, Santos B. T1 - Continuous time random walk in a velocity field BT - role of domain growth, Galilei-invariant advection-diffusion, and kinetics of particle mixing JF - New Journal of Physics N2 - We consider the emerging dynamics of a separable continuous time random walk (CTRW) in the case when the random walker is biased by a velocity field in a uniformly growing domain. Concrete examples for such domains include growing biological cells or lipid vesicles, biofilms and tissues, but also macroscopic systems such as expanding aquifers during rainy periods, or the expanding Universe. The CTRW in this study can be subdiffusive, normal diffusive or superdiffusive, including the particular case of a Lévy flight. We first consider the case when the velocity field is absent. In the subdiffusive case, we reveal an interesting time dependence of the kurtosis of the particle probability density function. In particular, for a suitable parameter choice, we find that the propagator, which is fat tailed at short times, may cross over to a Gaussian-like propagator. We subsequently incorporate the effect of the velocity field and derive a bi-fractional diffusion-advection equation encoding the time evolution of the particle distribution. We apply this equation to study the mixing kinetics of two diffusing pulses, whose peaks move towards each other under the action of velocity fields acting in opposite directions. This deterministic motion of the peaks, together with the diffusive spreading of each pulse, tends to increase particle mixing, thereby counteracting the peak separation induced by the domain growth. As a result of this competition, different regimes of mixing arise. In the case of Lévy flights, apart from the non-mixing regime, one has two different mixing regimes in the long-time limit, depending on the exact parameter choice: in one of these regimes, mixing is mainly driven by diffusive spreading, while in the other mixing is controlled by the velocity fields acting on each pulse. Possible implications for encounter–controlled reactions in real systems are discussed. KW - diffusion KW - expanding medium KW - continuous time random walk Y1 - 2020 U6 - https://doi.org/10.1088/1367-2630/ab9ae2 SN - 1367-2630 VL - 22 PB - Dt. Physikalische Ges. CY - Bad Honnef ER - TY - GEN A1 - Münch, Thomas A1 - Kipfstuhl, Sepp A1 - Freitag, Johannes A1 - Meyer, Hanno A1 - Laepple, Thomas T1 - Constraints on post-depositional isotope modifications in East Antarctic firn from analysing temporal changes of isotope profiles T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - The isotopic composition of water in ice sheets is extensively used to infer past climate changes. In low-accumulation regions their interpretation is, however, challenged by poorly constrained effects that may influence the initial isotope signal during and after deposition of the snow. This is reflected in snow-pit isotope data from Kohnen Station, Antarctica, which exhibit a seasonal cycle but also strong interannual variations that contradict local temperature observations. These inconsistencies persist even after averaging many profiles and are thus not explained by local stratigraphic noise. Previous studies have suggested that post-depositional processes may significantly influence the isotopic composition of East Antarctic firn. Here, we investigate the importance of post-depositional processes within the open-porous firn (greater than or similar to 10 cm depth) at Kohnen Station by separating spatial from temporal variability. To this end, we analyse 22 isotope profiles obtained from two snow trenches and examine the temporal isotope modifications by comparing the new data with published trench data extracted 2 years earlier. The initial isotope profiles undergo changes over time due to downward advection, firn diffusion and densification in magnitudes consistent with independent estimates. Beyond that, we find further modifications of the original isotope record to be unlikely or small in magnitude (<< 1 parts per thousand RMSD). These results show that the discrepancy between local temperatures and isotopes most likely originates from spatially coherent processes prior to or during deposition, such as precipitation intermittency or systematic isotope modifications acting on drifting or loose surface snow. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 662 KW - Dronning Maud Land KW - near-surface snow KW - Ice core records KW - Kohnen Station KW - stable isotopes KW - water isotopes KW - polar firn KW - climate KW - diffusion KW - precipitation Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-418763 SN - 1866-8372 IS - 662 ER - TY - GEN A1 - Ślęzak, Jakub A1 - Metzler, Ralf A1 - Magdziarz, Marcin T1 - Codifference can detect ergodicity breaking and non-Gaussianity T2 - Postprints der Universität Potsdam Mathematisch-Naturwissenschaftliche Reihe N2 - We show that the codifference is a useful tool in studying the ergodicity breaking and non-Gaussianity properties of stochastic time series. While the codifference is a measure of dependence that was previously studied mainly in the context of stable processes, we here extend its range of applicability to random-parameter and diffusing-diffusivity models which are important in contemporary physics, biology and financial engineering. We prove that the codifference detects forms of dependence and ergodicity breaking which are not visible from analysing the covariance and correlation functions. We also discuss a related measure of dispersion, which is a nonlinear analogue of the mean squared displacement. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 748 KW - diffusion KW - anomalous diffusion KW - stochastic time series Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-436178 IS - 748 ER - TY - JOUR A1 - Ślęzak, Jakub A1 - Metzler, Ralf A1 - Magdziarz, Marcin T1 - Codifference can detect ergodicity breaking and non-Gaussianity JF - New Journal of Physics N2 - We show that the codifference is a useful tool in studying the ergodicity breaking and non-Gaussianity properties of stochastic time series. While the codifference is a measure of dependence that was previously studied mainly in the context of stable processes, we here extend its range of applicability to random-parameter and diffusing-diffusivity models which are important in contemporary physics, biology and financial engineering. We prove that the codifference detects forms of dependence and ergodicity breaking which are not visible from analysing the covariance and correlation functions. We also discuss a related measure of dispersion, which is a nonlinear analogue of the mean squared displacement. KW - diffusion KW - stochastic time series KW - anomalous diffusion Y1 - 2019 U6 - https://doi.org/10.1088/1367-2630/ab13f3 SN - 1367-2630 VL - 21 PB - Deutsche Physikalische Gesellschaft CY - Bad Honnef ER - TY - JOUR A1 - Mutothya, Nicholas Mwilu A1 - Xu, Yong A1 - Li, Yongge A1 - Metzler, Ralf T1 - Characterising stochastic motion in heterogeneous media driven by coloured non-Gaussian noise JF - Journal of physics : A, Mathematical and theoretical N2 - We study the stochastic motion of a test particle in a heterogeneous medium in terms of a position dependent diffusion coefficient mimicking measured deterministic diffusivity gradients in biological cells or the inherent heterogeneity of geophysical systems. Compared to previous studies we here investigate the effect of the interplay of anomalous diffusion effected by position dependent diffusion coefficients and coloured non-Gaussian noise. The latter is chosen to be distributed according to Tsallis' q-distribution, representing a popular example for a non-extensive statistic. We obtain the ensemble and time averaged mean squared displacements for this generalised process and establish its non-ergodic properties as well as analyse the non-Gaussian nature of the associated displacement distribution. We consider both non-stratified and stratified environments. KW - diffusion KW - anomalous diffusion KW - non-extensive statistics KW - coloured KW - noise KW - heterogeneous diffusion process Y1 - 2021 U6 - https://doi.org/10.1088/1751-8121/abfba6 SN - 1751-8113 SN - 1751-8121 VL - 54 IS - 29 PB - IOP Publ. Ltd. CY - Bristol ER - TY - THES A1 - Mulansky, Mario T1 - Chaotic diffusion in nonlinear Hamiltonian systems T1 - Chaotische Diffusion in nichtlinearen Hamiltonschen Systemen N2 - This work investigates diffusion in nonlinear Hamiltonian systems. The diffusion, more precisely subdiffusion, in such systems is induced by the intrinsic chaotic behavior of trajectories and thus is called chaotic diffusion''. Its properties are studied on the example of one- or two-dimensional lattices of harmonic or nonlinear oscillators with nearest neighbor couplings. The fundamental observation is the spreading of energy for localized initial conditions. Methods of quantifying this spreading behavior are presented, including a new quantity called excitation time. This new quantity allows for a more precise analysis of the spreading than traditional methods. Furthermore, the nonlinear diffusion equation is introduced as a phenomenologic description of the spreading process and a number of predictions on the density dependence of the spreading are drawn from this equation. Two mathematical techniques for analyzing nonlinear Hamiltonian systems are introduced. The first one is based on a scaling analysis of the Hamiltonian equations and the results are related to similar scaling properties of the NDE. From this relation, exact spreading predictions are deduced. Secondly, the microscopic dynamics at the edge of spreading states are thoroughly analyzed, which again suggests a scaling behavior that can be related to the NDE. Such a microscopic treatment of chaotically spreading states in nonlinear Hamiltonian systems has not been done before and the results present a new technique of connecting microscopic dynamics with macroscopic descriptions like the nonlinear diffusion equation. All theoretical results are supported by heavy numerical simulations, partly obtained on one of Europe's fastest supercomputers located in Bologna, Italy. In the end, the highly interesting case of harmonic oscillators with random frequencies and nonlinear coupling is studied, which resembles to some extent the famous Discrete Anderson Nonlinear Schroedinger Equation. For this model, a deviation from the widely believed power-law spreading is observed in numerical experiments. Some ideas on a theoretical explanation for this deviation are presented, but a conclusive theory could not be found due to the complicated phase space structure in this case. Nevertheless, it is hoped that the techniques and results presented in this work will help to eventually understand this controversely discussed case as well. N2 - Diese Arbeit beschäftigt sich mit dem Phänomen der Diffusion in nichtlinearen Systemen. Unter Diffusion versteht man normalerweise die zufallsmä\ss ige Bewegung von Partikeln durch den stochastischen Einfluss einer thermodynamisch beschreibbaren Umgebung. Dieser Prozess ist mathematisch beschrieben durch die Diffusionsgleichung. In dieser Arbeit werden jedoch abgeschlossene Systeme ohne Einfluss der Umgebung betrachtet. Dennoch wird eine Art von Diffusion, üblicherweise bezeichnet als Subdiffusion, beobachtet. Die Ursache dafür liegt im chaotischen Verhalten des Systems. Vereinfacht gesagt, erzeugt das Chaos eine intrinsische Pseudo-Zufälligkeit, die zu einem gewissen Grad mit dem Einfluss einer thermodynamischen Umgebung vergleichbar ist und somit auch diffusives Verhalten provoziert. Zur quantitativen Beschreibung dieses subdiffusiven Prozesses wird eine Verallgemeinerung der Diffusionsgleichung herangezogen, die Nichtlineare Diffusionsgleichung. Desweiteren wird die mikroskopische Dynamik des Systems mit analytischen Methoden untersucht, und Schlussfolgerungen für den makroskopischen Diffusionsprozess abgeleitet. Die Technik der Verbindung von mikroskopischer Dynamik und makroskopischen Beobachtungen, die in dieser Arbeit entwickelt wird und detailliert beschrieben ist, führt zu einem tieferen Verständnis von hochdimensionalen chaotischen Systemen. Die mit mathematischen Mitteln abgeleiteten Ergebnisse sind darüber hinaus durch ausführliche Simulationen verifiziert, welche teilweise auf einem der leistungsfähigsten Supercomputer Europas durchgeführt wurden, dem sp6 in Bologna, Italien. Desweiteren können die in dieser Arbeit vorgestellten Erkenntnisse und Techniken mit Sicherheit auch in anderen Fällen bei der Untersuchung chaotischer Systeme Anwendung finden. KW - Chaos KW - Diffusion KW - Thermalisierung KW - Energieausbreitung KW - chaos KW - diffusion KW - thermalization KW - energy spreading Y1 - 2012 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus-63180 ER - TY - JOUR A1 - Prokopovic, Vladimir Z. A1 - Vikulina, Anna S. A1 - Sustr, David A1 - Duschl, Claus A1 - Volodkin, Dmitry T1 - Biodegradation-Resistant Multilayers Coated with Gold Nanoparticles. Toward a Tailor-made Artificial Extracellular Matrix JF - Journal of colloid and interface science N2 - Polymer multicomponent coatings such as multilayers mimic an extracellular, matrix (ECM) that attracts significant attention for the use of the multilayers as functional supports for advanced cell culture and tissue engineering. Herein, biodegradation and molecular transport in hyaluronan/polylysine multilayers coated with gold nanoparticles were described. Nanoparticle coating acts as a semipermeable barrier that governs molecular transport into/from the multilayers, and makes them biodegradation-resistant. Model protein lysozyme (mimics of ECM-soluble signals) diffuses into the multilayers as fast- and, slow-diffusing populations existing in an equilibrium,. Such a. composite system may have high potential to be exploited as degradation-resistant drug-delivery platforms suitable for cell-based applications. KW - hyaluronic acid KW - polylysine KW - diffusion KW - semipermeable KW - fluorescence recovery after photobleaching KW - layer-by-layer KW - enzymatic degradation KW - cell adhesion Y1 - 2016 U6 - https://doi.org/10.1021/acsami.6b10095 SN - 1944-8244 VL - 8 SP - 24345 EP - 24349 PB - American Chemical Society CY - Washington ER - TY - JOUR A1 - Doerries, Timo J. A1 - Chechkin, Aleksei V. A1 - Metzler, Ralf T1 - Apparent anomalous diffusion and non-Gaussian distributions in a simple mobile-immobile transport model with Poissonian switching JF - Interface : journal of the Royal Society N2 - We analyse mobile-immobile transport of particles that switch between the mobile and immobile phases with finite rates. Despite this seemingly simple assumption of Poissonian switching, we unveil a rich transport dynamics including significant transient anomalous diffusion and non-Gaussian displacement distributions. Our discussion is based on experimental parameters for tau proteins in neuronal cells, but the results obtained here are expected to be of relevance for a broad class of processes in complex systems. Specifically, we obtain that, when the mean binding time is significantly longer than the mean mobile time, transient anomalous diffusion is observed at short and intermediate time scales, with a strong dependence on the fraction of initially mobile and immobile particles. We unveil a Laplace distribution of particle displacements at relevant intermediate time scales. For any initial fraction of mobile particles, the respective mean squared displacement (MSD) displays a plateau. Moreover, we demonstrate a short-time cubic time dependence of the MSD for immobile tracers when initially all particles are immobile. KW - diffusion KW - mobile-immobile model KW - tau proteins Y1 - 2022 U6 - https://doi.org/10.1098/rsif.2022.0233 SN - 1742-5689 SN - 1742-5662 VL - 19 IS - 192 PB - Royal Society CY - London ER - TY - JOUR A1 - Guggenberger, Tobias A1 - Chechkin, Aleksei A1 - Metzler, Ralf T1 - Absence of stationary states and non-Boltzmann distributions of fractional Brownian motion in shallow external potentials JF - New journal of physics : the open-access journal for physics N2 - We study the diffusive motion of a particle in a subharmonic potential of the form U(x) = |x|( c ) (0 < c < 2) driven by long-range correlated, stationary fractional Gaussian noise xi ( alpha )(t) with 0 < alpha <= 2. In the absence of the potential the particle exhibits free fractional Brownian motion with anomalous diffusion exponent alpha. While for an harmonic external potential the dynamics converges to a Gaussian stationary state, from extensive numerical analysis we here demonstrate that stationary states for shallower than harmonic potentials exist only as long as the relation c > 2(1 - 1/alpha) holds. We analyse the motion in terms of the mean squared displacement and (when it exists) the stationary probability density function. Moreover we discuss analogies of non-stationarity of Levy flights in shallow external potentials. KW - diffusion KW - Boltzmann distribution KW - fractional Brownian motion Y1 - 2022 U6 - https://doi.org/10.1088/1367-2630/ac7b3c SN - 1367-2630 VL - 24 IS - 7 PB - Dt. Physikalische Ges. CY - [Bad Honnef] ER - TY - JOUR A1 - Schwarzl, Maria A1 - Godec, Aljaz A1 - Oshanin, Gleb A1 - Metzler, Ralf T1 - A single predator charging a herd of prey: effects of self volume and predator-prey decision-making JF - Journal of physics : A, Mathematical and theoretical N2 - We study the degree of success of a single predator hunting a herd of prey on a two-dimensional square lattice landscape. We explicitly consider the self volume of the prey restraining their dynamics on the lattice. The movement of both predator and prey is chosen to include an intelligent, decision making step based on their respective sighting ranges, the radius in which they can detect the other species (prey cannot recognise each other besides the self volume interaction): after spotting each other the motion of prey and predator turns from a nearest neighbour random walk into directed escape or chase, respectively. We consider a large range of prey densities and sighting ranges and compute the mean first passage time for a predator to catch a prey as well as characterise the effective dynamics of the hunted prey. We find that the prey's sighting range dominates their life expectancy and the predator profits more from a bad eyesight of the prey than from his own good eye sight. We characterise the dynamics in terms of the mean distance between the predator and the nearest prey. It turns out that effectively the dynamics of this distance coordinate can be captured in terms of a simple Ornstein–Uhlenbeck picture. Reducing the many-body problem to a simple two-body problem by imagining predator and nearest prey to be connected by an effective Hookean bond, all features of the model such as prey density and sighting ranges merge into the effective binding constant. KW - first passage process KW - diffusion KW - predator-prey model Y1 - 2016 U6 - https://doi.org/10.1088/1751-8113/49/22/225601 SN - 1751-8113 SN - 1751-8121 VL - 49 PB - IOP Publ. Ltd. CY - Bristol ER - TY - JOUR A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - A molecular relay race: sequential first-passage events to the terminal reaction centre in a cascade of diffusion controlled processes JF - New Journal of Physics (NJP) N2 - We consider a sequential cascade of molecular first-reaction events towards a terminal reaction centre in which each reaction step is controlled by diffusive motion of the particles. The model studied here represents a typical reaction setting encountered in diverse molecular biology systems, in which, e.g. a signal transduction proceeds via a series of consecutive 'messengers': the first messenger has to find its respective immobile target site triggering a launch of the second messenger, the second messenger seeks its own target site and provokes a launch of the third messenger and so on, resembling a relay race in human competitions. For such a molecular relay race taking place in infinite one-, two- and three-dimensional systems, we find exact expressions for the probability density function of the time instant of the terminal reaction event, conditioned on preceding successful reaction events on an ordered array of target sites. The obtained expressions pertain to the most general conditions: number of intermediate stages and the corresponding diffusion coefficients, the sizes of the target sites, the distances between them, as well as their reactivities are arbitrary. KW - diffusion KW - reaction cascade KW - first passage time Y1 - 2021 U6 - https://doi.org/10.1088/1367-2630/ac1e42 SN - 1367-2630 VL - 23 PB - IOP - Institute of Physics Publishing CY - Bristol ER - TY - GEN A1 - Grebenkov, Denis S. A1 - Metzler, Ralf A1 - Oshanin, Gleb T1 - A molecular relay race: sequential first-passage events to the terminal reaction centre in a cascade of diffusion controlled processes T2 - Postprints der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe N2 - We consider a sequential cascade of molecular first-reaction events towards a terminal reaction centre in which each reaction step is controlled by diffusive motion of the particles. The model studied here represents a typical reaction setting encountered in diverse molecular biology systems, in which, e.g. a signal transduction proceeds via a series of consecutive 'messengers': the first messenger has to find its respective immobile target site triggering a launch of the second messenger, the second messenger seeks its own target site and provokes a launch of the third messenger and so on, resembling a relay race in human competitions. For such a molecular relay race taking place in infinite one-, two- and three-dimensional systems, we find exact expressions for the probability density function of the time instant of the terminal reaction event, conditioned on preceding successful reaction events on an ordered array of target sites. The obtained expressions pertain to the most general conditions: number of intermediate stages and the corresponding diffusion coefficients, the sizes of the target sites, the distances between them, as well as their reactivities are arbitrary. T3 - Zweitveröffentlichungen der Universität Potsdam : Mathematisch-Naturwissenschaftliche Reihe - 1159 KW - diffusion KW - reaction cascade KW - first passage time Y1 - 2021 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus4-521942 SN - 1866-8372 ER -