@phdthesis{SvirejevaHopkins2004, author = {Svirejeva-Hopkins, Anastasia}, title = {Urbanised territories as a specific component of the global carbon cycle}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-0001512}, school = {Universit{\"a}t Potsdam}, year = {2004}, abstract = {Wir betrachten folgende Teile: die zus{\"a}tzlichen Kohlenstoff(C)-emissionen, welche aus der Umwandlung von nat{\"u}rlichem Umland durch Stadtwachstum resultieren, und die {\"A}nderung des C-Flusses durch 'urbanisierte' {\"O}kosysteme, soweit atmosph{\"a}risches C durch diese in umliegende nat{\"u}rliche {\"O}kosysteme entlang der Kette \“Atmosph{\"a}re -> Vegetation -> abgestorbene organische Substanzen\” gepumpt wird: d.h. C-Export; f{\"u}r den Zeitraum von 1980 bis 2050. Als Szenario nutzen wir Prognosen der regionalen Stadtbev{\"o}lkerung, welche durch ein 'Hybridmodell' generiert werden f{\"u}r acht Regionen. Alle Sch{\"a}tzungen der C-Fl{\"u}sse basieren auf zwei Modellen: das Regression Modell und das sogenannte G-Modell. Die Siedlungsfl{\"a}che, welche mit dem Wachstum der Stadtbev{\"o}lkerung zunimmt, wird in 'Gr{\"u}nfl{\"a}chen' (Parks, usw.), Geb{\"a}udefl{\"a}chen und informell st{\"a}dtisch genutzte Fl{\"a}chen (Slums, illegale Lagerpl{\"a}tze, usw.) unterteilt. Es werden j{\"a}hrlich die regionale und globale Dynamik der C-Emissionen und des C-Exports sowie die C-Gesamtbilanz berechnet. Dabei liefern beide Modelle qualitativ {\"a}hnliche Ergebnisse, jedoch gibt es einige quantitative Unterschiede. Im ersten Modell erreicht die globale Jahresemission f{\"u}r die Dekade 2020-2030 resultierend aus der Landnutzungs{\"a}nderung ein Maximum von 205 Mt/a. Die maximalen Beitr{\"a}ge zur globalen Emission werden durch China, die asiatische und die pazifische Region erbracht. Im zweiten Modell erh{\"o}ht sich die j{\"a}hrliche globale Emission von 1.12 GtC/a f{\"u}r 1980 auf 1.25 GtC/a f{\"u}r 2005 (1Gt = 109 t). Danach beginnt eine Reduzierung. Vergleichen wir das Emissionmaximum mit der Emission durch Abholzung im Jahre 1980 (1.36 GtC/a), k{\"o}nnen wir konstatieren, daß die Urbanisierung damit in vergleichbarer Gr{\"o}sse zur Emission beitr{\"a}gt. Bezogen auf die globale Dynamik des j{\"a}hrlichen C-Exports durch Urbanisierung beobachten wir ein monotones Wachstum bis zum nahezu dreifachen Wert von 24 MtC/a f{\"u}r 1980 auf 66 MtC/a f{\"u}r 2050 im ersten Modell, bzw. im zweiten Modell von 249 MtC/a f{\"u}r 1980 auf 505 MtC/a f{\"u}r 2050. Damit ist im zweiten Fall die Transportleistung der Siedlungsgebiete mit dem C-Transport durch Fl{\"u}sse in die Ozeane (196 .. 537 MtC/a) vergleichbar. Bei der Absch{\"a}tzung der Gesamtbilanz finden wir, daß die Urbanisierung die Bilanz in Richtung zu einer 'Senke' verschiebt. Entsprechend dem zweiten Modell beginnt sich die C-Gesamtbilanz (nach ann{\"a}hernder Konstanz) ab dem Jahre 2000 mit einer fast konstanten Rate zu verringern. Wenn das Maximum im Jahre 2000 bei 905MtC/a liegt, f{\"a}llt dieser Wert anschliessend bis zum Jahre 2050 auf 118 MtC/a. Bei Extrapolation dieser Dynamik in die Zukunft k{\"o}nnen wir annehmen, daß am Ende des 21. Jahrhunderts die \“urbane\” C-Gesamtbilanz Null bzw. negative Werte erreicht.}, language = {en} } @article{Fritsch2022, author = {Fritsch, Daniel}, title = {Revisiting the Cu-Zn disorder in kesterite type Cu2ZnSnSe4 employing a novel approach to hybrid functional calculations}, series = {Applied Sciences : open access journal}, volume = {12}, journal = {Applied Sciences : open access journal}, number = {5}, publisher = {MDPI}, address = {Basel}, issn = {2076-3417}, doi = {10.3390/app12052576}, pages = {10}, year = {2022}, abstract = {In recent years, the search for more efficient and environmentally friendly materials to be employed in the next generation of thin film solar cell devices has seen a shift towards hybrid halide perovskites and chalcogenide materials crystallising in the kesterite crystal structure. Prime examples for the latter are Cu2ZnSnS4, Cu2ZnSnSe4, and their solid solution Cu2ZnSn(SxSe1-x)(4), where actual devices already demonstrated power conversion efficiencies of about 13 \%. However, in their naturally occurring kesterite crystal structure, the so-called Cu-Zn disorder plays an important role and impacts the structural, electronic, and optical properties. To understand the influence of Cu-Zn disorder, we perform first-principles calculations based on density functional theory combined with special quasirandom structures to accurately model the cation disorder. Since the electronic band gaps and derived optical properties are severely underestimated by (semi)local exchange and correlation functionals, supplementary hybrid functional calculations have been performed. Concerning the latter, we additionally employ a recently devised technique to speed up structural relaxations for hybrid functional calculations. Our calculations show that the Cu-Zn disorder leads to a slight increase in the unit cell volume compared to the conventional kesterite structure showing full cation order, and that the band gap gets reduced by about 0.2 eV, which is in very good agreement with earlier experimental and theoretical findings. Our detailed results on structural, electronic, and optical properties will be discussed with respect to available experimental data, and will provide further insights into the atomistic origin of the disorder-induced band gap lowering in these promising kesterite type materials.}, language = {en} } @article{JayVazdaCruzEckertetal.2020, author = {Jay, Raphael M. and Vaz da Cruz, Vinicius and Eckert, Sebastian and Fondell, Mattis and Mitzner, Rolf and F{\"o}hlisch, Alexander}, title = {Probing solute-solvent interactions of transition metal complexes using L-edge absorption spectroscopy}, series = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, volume = {124}, journal = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, number = {27}, publisher = {American Chemical Society}, address = {Washington}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c00638}, pages = {5636 -- 5645}, year = {2020}, abstract = {In order to tailor solution-phase chemical reactions involving transition metal complexes, it is critical to understand how their valence electronic charge distributions are affected by the solution environment. Here, solute-solvent interactions of a solvatochromic mixed-ligand iron complex were investigated using X-ray absorption spectroscopy at the transition metal L-2,L-3-edge. Due to the selectivity of the corresponding core excitations to the iron 3d orbitals, the method grants direct access to the valence electronic structure around the iron center and its response to interactions with the solvent environment. A linear increase of the total L-2,L-3-edge absorption cross section as a function of the solvent Lewis acidity is revealed. The effect is caused by relative changes in different metal-ligand-bonding channels, which preserve local charge densities while increasing the density of unoccupied states around the iron center. These conclusions are corroborated by a combination of molecular dynamics and spectrum simulations based on time-dependent density functional theory. The simulations reproduce the spectral trends observed in the X-ray but also optical absorption experiments. Our results underscore the importance of solute-solvent interactions when aiming for an accurate description of the valence electronic structure of solvated transition metal complexes and demonstrate how L-2,L-3-edge absorption spectroscopy can aid in understanding the impact of the solution environment on intramolecular covalency and the electronic charge distribution.}, language = {en} } @phdthesis{Li2024, author = {Li, Yunfei}, title = {On the influence of density and morphology on the Urban Heat Island intensity}, doi = {10.25932/publishup-62150}, url = {http://nbn-resolving.de/urn:nbn:de:kobv:517-opus4-621504}, school = {Universit{\"a}t Potsdam}, pages = {xviii, 119}, year = {2024}, abstract = {The urban heat island (UHI) effect, describing an elevated temperature of urban areas compared with their natural surroundings, can expose urban dwellers to additional heat stress, especially during hot summer days. A comprehensive understanding of the UHI dynamics along with urbanization is of great importance to efficient heat stress mitigation strategies towards sustainable urban development. This is, however, still challenging due to the difficulties of isolating the influences of various contributing factors that interact with each other. In this work, I present a systematical and quantitative analysis of how urban intrinsic properties (e.g., urban size, density, and morphology) influence UHI intensity. To this end, we innovatively combine urban growth modelling and urban climate simulation to separate the influence of urban intrinsic factors from that of background climate, so as to focus on the impact of urbanization on the UHI effect. The urban climate model can create a laboratory environment which makes it possible to conduct controlled experiments to separate the influences from different driving factors, while the urban growth model provides detailed 3D structures that can be then parameterized into different urban development scenarios tailored for these experiments. The novelty in the methodology and experiment design leads to the following achievements of our work. First, we develop a stochastic gravitational urban growth model that can generate 3D structures varying in size, morphology, compactness, and density gradient. We compare various characteristics, like fractal dimensions (box-counting, area-perimeter scaling, area-population scaling, etc.), and radial gradient profiles of land use share and population density, against those of real-world cities from empirical studies. The model shows the capability of creating 3D structures resembling real-world cities. This model can generate 3D structure samples for controlled experiments to assess the influence of some urban intrinsic properties in question. [Chapter 2] With the generated 3D structures, we run several series of simulations with urban structures varying in properties like size, density and morphology, under the same weather conditions. Analyzing how the 2m air temperature based canopy layer urban heat island (CUHI) intensity varies in response to the changes of the considered urban factors, we find the CUHI intensity of a city is directly related to the built-up density and an amplifying effect that urban sites have on each other. We propose a Gravitational Urban Morphology (GUM) indicator to capture the neighbourhood warming effect. We build a regression model to estimate the CUHI intensity based on urban size, urban gross building volume, and the GUM indicator. Taking the Berlin area as an example, we show the regression model capable of predicting the CUHI intensity under various urban development scenarios. [Chapter 3] Based on the multi-annual average summer surface urban heat island (SUHI) intensity derived from Land surface temperature, we further study how urban intrinsic factors influence the SUHI effect of the 5,000 largest urban clusters in Europe. We find a similar 3D GUM indicator to be an effective predictor of the SUHI intensity of these European cities. Together with other urban factors (vegetation condition, elevation, water coverage), we build different multivariate linear regression models and a climate space based Geographically Weighted Regression (GWR) model that can better predict SUHI intensity. By investigating the roles background climate factors play in modulating the coefficients of the GWR model, we extend the multivariate linear model to a nonlinear one by integrating some climate parameters, such as the average of daily maximal temperature and latitude. This makes it applicable across a range of background climates. The nonlinear model outperforms linear models in SUHI assessment as it captures the interaction of urban factors and the background climate. [Chapter 4] Our work reiterates the essential roles of urban density and morphology in shaping the urban thermal environment. In contrast to many previous studies that link bigger cities with higher UHI intensity, we show that cities larger in the area do not necessarily experience a stronger UHI effect. In addition, the results extend our knowledge by demonstrating the influence of urban 3D morphology on the UHI effect. This underlines the importance of inspecting cities as a whole from the 3D perspective. While urban 3D morphology is an aggregated feature of small-scale urban elements, the influence it has on the city-scale UHI intensity cannot simply be scaled up from that of its neighbourhood-scale components. The spatial composition and configuration of urban elements both need to be captured when quantifying urban 3D morphology as nearby neighbourhoods also cast influences on each other. Our model serves as a useful UHI assessment tool for the quantitative comparison of urban intervention/development scenarios. It can support harnessing the capacity of UHI mitigation through optimizing urban morphology, with the potential of integrating climate change into heat mitigation strategies.}, language = {en} } @article{CervantesVillaShpritsAseevetal.2019, author = {Cervantes Villa, Juan Sebastian and Shprits, Yuri Y. and Aseev, Nikita and Drozdov, Alexander and Castillo Tibocha, Angelica Maria and Stolle, Claudia}, title = {Identifying radiation belt electron source and loss processes by assimilating spacecraft data in a three-dimensional diffusion model}, series = {Journal of geophysical research : Space physics}, volume = {125}, journal = {Journal of geophysical research : Space physics}, number = {1}, publisher = {American Geophysical Union}, address = {Washington}, issn = {2169-9380}, doi = {10.1029/2019JA027514}, pages = {16}, year = {2019}, abstract = {Data assimilation aims to blend incomplete and inaccurate data with physics-based dynamical models. In the Earth's radiation belts, it is used to reconstruct electron phase space density, and it has become an increasingly important tool in validating our current understanding of radiation belt dynamics, identifying new physical processes, and predicting the near-Earth hazardous radiation environment. In this study, we perform reanalysis of the sparse measurements from four spacecraft using the three-dimensional Versatile Electron Radiation Belt diffusion model and a split-operator Kalman filter over a 6-month period from 1 October 2012 to 1 April 2013. In comparison to previous works, our 3-D model accounts for more physical processes, namely, mixed pitch angle-energy diffusion, scattering by Electromagnetic Ion Cyclotron waves, and magnetopause shadowing. We describe how data assimilation, by means of the innovation vector, can be used to account for missing physics in the model. We use this method to identify the radial distances from the Earth and the geomagnetic conditions where our model is inconsistent with the measured phase space density for different values of the invariants mu and K. As a result, the Kalman filter adjusts the predictions in order to match the observations, and we interpret this as evidence of where and when additional source or loss processes are active. The current work demonstrates that 3-D data assimilation provides a comprehensive picture of the radiation belt electrons and is a crucial step toward performing reanalysis using measurements from ongoing and future missions.}, language = {en} } @article{LehmannZhengRyoetal.2020, author = {Lehmann, Anika and Zheng, Weishuang and Ryo, Masahiro and Soutschek, Katharina and Roy, Julien and Rongstock, Rebecca and Maaß, Stefanie and Rillig, Matthias C.}, title = {Fungal traits important for soil aggregation}, series = {Frontiers in microbiology}, volume = {10}, journal = {Frontiers in microbiology}, publisher = {Frontiers Media}, address = {Lausanne}, issn = {1664-302X}, doi = {10.3389/fmicb.2019.02904}, pages = {13}, year = {2020}, abstract = {Soil structure, the complex arrangement of soil into aggregates and pore spaces, is a key feature of soils and soil biota. Among them, filamentous saprobic fungi have well-documented effects on soil aggregation. However, it is unclear what properties, or traits, determine the overall positive effect of fungi on soil aggregation. To achieve progress, it would be helpful to systematically investigate a broad suite of fungal species for their trait expression and the relation of these traits to soil aggregation. Here, we apply a trait-based approach to a set of 15 traits measured under standardized conditions on 31 fungal strains including Ascomycota, Basidiomycota, and Mucoromycota, all isolated from the same soil. We find large differences among these fungi in their ability to aggregate soil, including neutral to positive effects, and we document large differences in trait expression among strains. We identify biomass density, i.e., the density with which a mycelium grows (positive effects), leucine aminopeptidase activity (negative effects) and phylogeny as important factors explaining differences in soil aggregate formation (SAF) among fungal strains; importantly, growth rate was not among the important traits. Our results point to a typical suite of traits characterizing fungi that are good soil aggregators, and our findings illustrate the power of employing a trait-based approach to unravel biological mechanisms underpinning soil aggregation. Such an approach could now be extended also to other soil biota groups. In an applied context of restoration and agriculture, such trait information can inform management, for example to prioritize practices that favor the expression of more desirable fungal traits.}, language = {en} } @article{AwadMetzler2022, author = {Awad, Emad and Metzler, Ralf}, title = {Closed-form multi-dimensional solutions and asymptotic behaviours for subdiffusive processes with crossovers: II. Accelerating case}, series = {Journal of physics : A, Mathematical and theoretical}, volume = {55}, journal = {Journal of physics : A, Mathematical and theoretical}, number = {20}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {1751-8113}, doi = {10.1088/1751-8121/ac5a90}, pages = {29}, year = {2022}, abstract = {Anomalous diffusion with a power-law time dependence vertical bar R vertical bar(2)(t) similar or equal to t(alpha i) of the mean squared displacement occurs quite ubiquitously in numerous complex systems. Often, this anomalous diffusion is characterised by crossovers between regimes with different anomalous diffusion exponents alpha(i). Here we consider the case when such a crossover occurs from a first regime with alpha(1) to a second regime with alpha(2) such that alpha(2) > alpha(1), i.e., accelerating anomalous diffusion. A widely used framework to describe such crossovers in a one-dimensional setting is the bi-fractional diffusion equation of the so-called modified type, involving two time-fractional derivatives defined in the Riemann-Liouville sense. We here generalise this bi-fractional diffusion equation to higher dimensions and derive its multidimensional propagator (Green's function) for the general case when also a space fractional derivative is present, taking into consideration long-ranged jumps (Levy flights). We derive the asymptotic behaviours for this propagator in both the short- and long-time as well the short- and long-distance regimes. Finally, we also calculate the mean squared displacement, skewness and kurtosis in all dimensions, demonstrating that in the general case the non-Gaussian shape of the probability density function changes.}, language = {en} }