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We address the problem of recognizing alpha-stable Levy distribution with Levy index close to 2 from experimental data. We are interested in the case when the sample size of available data is not large, thus the power law asymptotics of the distribution is not clearly detectable, and the shape of the empirical probability density function is close to a Gaussian. We propose a testing procedure combining a simple visual test based on empirical fourth moment with the Anderson-Darling and Jarque-Bera statistical tests and we check the efficiency of the method on simulated data. Furthermore, we apply our method to the analysis of turbulent plasma density and potential fluctuations measured in the stellarator-type fusion device and demonstrate that the phenomenon of the L-H transition from low confinement, L mode, to a high confinement, H mode, which occurs in this device is accompanied by the transition from Levy to Gaussian fluctuation statistics.
We compare the growth dynamics of the three n-alkanes C36H74, C40H82, and C44H90 on SiO2 using real-time and in situ energy-dispersive x-ray reflectivity. All molecules investigated align in an upright-standing orientation on the substrate and exhibit a transition from layer-by-layer growth to island growth after about 4 monolayers under the conditions employed. Simultaneous fits of the reflected intensity at five distinct points in reciprocal space show that films formed by longer n-alkanes roughen faster during growth. This behavior can be explained by a chain-length dependent height of the Ehrlich-Schwoebel barrier. Further x-ray diffraction measurements after growth indicate that films consisting of longer n-alkanes also incorporate more lying-down molecules in the top region. While the results reveal behavior typical for chain-like molecules, the findings can also be useful for the optimization of organic field effect transistors where smooth interlayers of n-alkanes without coexistence of two or more molecular orientations are required.
Cold gas accretion by high-velocity clouds and their connection to QSO Absorption-line systems
(2012)
We combine H I 21 cm observations of the Milky Way, M31, and the local galaxy population with QSO absorption-line measurements to geometrically model the three-dimensional distribution of infalling neutral-gas clouds ("high-velocity clouds" (HVCs)) in the extended halos of low-redshift galaxies. We demonstrate that the observed distribution of HVCs around the Milky Way and M31 can be modeled by a radial exponential decline of the mean H I volume-filling factor in their halos. Our model suggests a characteristic radial extent of HVCs of R-halo similar to 50 kpc, a total H I mass in HVCs of similar to 10(8) M-circle dot, and a neutral-gas accretion rate of similar to 0.7 M-circle dot yr(-1) for M31/Milky-Way-type galaxies. Using a Holmberg-like luminosity scaling of the halo size of galaxies we estimate R-halo similar to 110 kpc for the most massive galaxies. The total absorption cross-section of HVCs at z approximate to 0 most likely is dominated by galaxies with total H I masses between 10(8.5) and 10(10) M-circle dot. Our model indicates that the H I disks of galaxies and their surrounding HVC population can account for 30%-100% of intervening QSO absorption-line systems with log N(H I) >= 17.5 at z approximate to 0. We estimate that the neutral-gas accretion rate density of galaxies at low redshift from infalling HVCs is dM(H) (I)/dt/dV approximate to 0.022 M-circle dot yr(-1) Mpc(-3), which is close to the measured star formation rate density in the local universe. HVCs thus may play an important role in the ongoing formation and evolution of galaxies.
A combination of experiment and theory shows that dielectric elastomers exhibit complex interplay of nonlinear processes. Membranes of a dielectric elastomer are prepared in various states of prestretches by using rigid clamps and mechanical forces. Upon actuation by voltage, some membranes form wrinkles followed by snap-through instability, others form wrinkles without the snap-through instability, and still others fail by local instability without forming wrinkles. Membranes surviving these nonlinear processes are found to attain a constant dielectric strength, independent of the state of prestretches. Giant voltage-induced stretch of 3.6 is attained.
We study the anomalous diffusion of a particle in an external force field whose motion is governed by nonrenewal continuous time random walks with correlated waiting times. In this model the current waiting time T-i is equal to the previous waiting time Ti-1 plus a small increment. Based on the associated coupled Langevin equations the force field is systematically introduced. We show that in a confining potential the relaxation dynamics follows power-law or stretched exponential pattern, depending on the model parameters. The process obeys a generalized Einstein-Stokes-Smoluchowski relation and observes the second Einstein relation. The stationary solution is of Boltzmann-Gibbs form. The case of an harmonic potential is discussed in some detail. We also show that the process exhibits aging and ergodicity breaking.
Chemotaxis, the directed motion of a cell toward a chemical source, plays a key role in many essential biological processes. Here, we derive a statistical model that quantitatively describes the chemotactic motion of eukaryotic cells in a chemical gradient. Our model is based on observations of the chemotactic motion of the social ameba Dictyostelium discoideum, a model organism for eukaryotic chemotaxis. A large number of cell trajectories in stationary, linear chemoattractant gradients is measured, using microfluidic tools in combination with automated cell tracking. We describe the directional motion as the interplay between deterministic and stochastic contributions based on a Langevin equation. The functional form of this equation is directly extracted from experimental data by angle-resolved conditional averages. It contains quadratic deterministic damping and multiplicative noise. In the presence of an external gradient, the deterministic part shows a clear angular dependence that takes the form of a force pointing in gradient direction. With increasing gradient steepness, this force passes through a maximum that coincides with maxima in both speed and directionality of the cells. The stochastic part, on the other hand, does not depend on the orientation of the directional cue and remains independent of the gradient magnitude. Numerical simulations of our probabilistic model yield quantitative agreement with the experimental distribution functions. Thus our model captures well the dynamics of chemotactic cells and can serve to quantify differences and similarities of different chemotactic eukaryotes. Finally, on the basis of our model, we can characterize the heterogeneity within a population of chemotactic cells.
Generalized facilitated diffusion model for DNA-binding proteins with search and recognition states
(2012)
Transcription factors (TFs) such as the lac repressor find their target sequence on DNA at remarkably high rates. In the established Berg-von Hippel model for this search process, the TF alternates between three-dimensional diffusion in the bulk solution and one-dimensional sliding along the DNA chain. To overcome the so-called speed-stability paradox, in similar models the TF was considered as being present in two conformations (search state and recognition state) between which it switches stochastically. Combining both the facilitated diffusion model and alternating states, we obtain a generalized model. We explicitly treat bulk excursions for rodlike chains arranged in parallel and consider a simplified model for coiled DNA. Compared to previously considered facilitated diffusion models, corresponding to limiting cases of our generalized model, we surprisingly find a reduced target search rate. Moreover, at optimal conditions there is no longer an equipartition between the time spent by the protein on and off the DNA chain.
Label-free electrical detection of consecutive deoxyribonucleic acid (DNA) hybridization/denaturation by means of an array of individually addressable field-effect-based nanoplate silicon-on-insulator (SOI) capacitors modified with gold nanoparticles (Au-NP) is investigated. The proposed device detects charge changes on Au-NP/DNA hybrids induced by the hybridization or denaturation event. DNA hybridization was performed in a high ionic-strength solution to provide a high hybridization efficiency. On the other hand, to reduce the screening of the DNA charge by counter ions and to achieve a high sensitivity, the sensor signal induced by the hybridization and denaturation events was measured in a low ionic-strength solution. High sensor signals of about 120, 90, and 80 mV were registered after the DNA hybridization, denaturation, and re-hybridization events, respectively. Fluorescence microscopy has been applied as reference method to verify the DNA immobilization, hybridization, and denaturation processes. An electrostatic charge-plane model for potential changes at the gate surface of a nanoplate field-effect sensor induced by the DNA hybridization has been developed taking into account both the Debye length and the distance of the DNA charge from the gate surface.
We study the flux emergence process in NOAA active region 11024, between 29 June and 7 July 2009, by means of multi-wavelength observations and nonlinear force-free extrapolation. The main aim is to extend previous investigations by combining, as much as possible, high spatial resolution observations to test our present understanding of small-scale (undulatory) flux emergence, whilst putting these small-scale events in the context of the global evolution of the active region. The combination of these techniques allows us to follow the whole process, from the first appearance of the bipolar axial field on the east limb, until the buoyancy instability could set in and raise the main body of the twisted flux tube through the photosphere, forming magnetic tongues and signatures of serpentine field, until the simplification of the magnetic structure into a main bipole by the time the active region reaches the west limb. At the crucial time of the main emergence phase high spatial resolution spectropolarimetric measurements of the photospheric field are employed to reconstruct the three-dimensional structure of the nonlinear force-free coronal field, which is then used to test the current understanding of flux emergence processes. In particular, knowledge of the coronal connectivity confirms the identity of the magnetic tongues as seen in their photospheric signatures, and it exemplifies how the twisted flux, which is emerging on small scales in the form of a sea-serpent, is subsequently rearranged by reconnection into the large-scale field of the active region. In this way, the multi-wavelength observations combined with a nonlinear force-free extrapolation provide a coherent picture of the emergence process of small-scale magnetic bipoles, which subsequently reconnect to form a large-scale structure in the corona.
The discovery of volcanic activity on Enceladus stands out amongst the long list of findings by the Cassini mission to Saturn. In particular the compositional analysis of Enceladus ice particles by Cassini's Cosmic Dust Analyser (CDA) (Srama et al., 2004) has proven to be a powerful technique for obtaining information about processes below the moon's ice crust. Small amounts of sodium salts embedded in the particles' ice matrices provide direct evidence for a subsurface liquid water reservoir, which is, or has been, in contact with the moon's rocky core (Postberg et al., 2009, 2011b).
Jupiter's Galilean satellites Ganymede, Europa, and Callisto are also believed to have subsurface oceans and are therefore prime targets for future NASA and ESA outer Solar System missions. The Galilean moons are engulfed in tenuous dust clouds consisting of tiny pieces of the moons' surfaces (Kruger et al., 1999), released by hypervelocity impacts of micrometeoroids, which steadily bombard the surfaces of the moons. In situ chemical analysis of these grains by a high resolution dust spectrometer will provide spatially resolved mapping of the surface composition of Europa. Ganymede, and Callisto, meeting key scientific objectives of the planned missions. However, novel high-resolution reflectron-type dust mass spectrometers (Sternovsky et al., 2007; Srama et al., 2007) developed for dust astronomy missions (Gran et al., 2009) are probably not robust enough to be operated in the energetic radiation environment of the inner Jovian system. In contrast, CDA's linear spectrometer is much less affected by harsh radiation conditions because its ion detector is not directly facing out into space. The instrument has been continuously operated on Cassini for 11 years. In this paper we investigate the possibility of operating a CDA-like instrument as a high resolution impact mass spectrometer. We show that such an instrument is capable of reliably identifying traces of organic and inorganic materials in the ice matrix of ejecta expected to be generated from the surfaces of the Galilean moons. These measurements are complementary, and in some cases superior, compared to other traditional techniques such as infrared remote sensing or in situ ion or neutral mass spectrometers.
Generalized space-time fractional diffusion equation with composite fractional time derivative
(2012)
We investigate the solution of space-time fractional diffusion equations with a generalized Riemann-Liouville time fractional derivative and Riesz-Feller space fractional derivative. The Laplace and Fourier transform methods are applied to solve the proposed fractional diffusion equation. The results are represented by using the Mittag-Leffler functions and the Fox H-function. Special cases of the initial and boundary conditions are considered. Numerical scheme and Grunwald-Letnikov approximation are also used to solve the space-time fractional diffusion equation. The fractional moments of the fundamental solution of the considered space-time fractional diffusion equation are obtained. Many known results are special cases of those obtained in this paper. We investigate also the solution of a space-time fractional diffusion equations with a singular term of the form delta(x). t-beta/Gamma(1-beta) (beta > 0).
Employing impedance spectroscopy, we have studied the hole density, conductivity, and mobility of poly(3-hexylthiophene), P3HT, doped with the strong molecular acceptor tetrafluorotetracyanoquinodimethane, F(4)TCNQ. We find that the hole density increases linearly with the F(4)TCNQ concentration. Furthermore, the hole mobility is decreased upon doping at low-to-medium doping level, which is rationalized by an analytic model of carrier mobility in doped organic semiconductors [V. I. Arkhipov, E. V. Emelianova, P. Heremans, and H. Bassler, Phys. Rev. B 72, 235202 (2005)]. We infer that the presence of ionized F(4)TCNQ molecules in the P3HT layer increases energetic disorder, which diminishes the carrier mobility.
Context. The variation of the dimensionless fundamental physical constant mu = m(p)/m(e) - the proton to electron mass ratio - can be constrained via observation of Lyman and Werner lines of molecular hydrogen in the spectra of damped Lyman alpha systems (DLAs) in the line of sight to distant QSOs.
Aims. Our intention is to maximize the possible precision of quasar absorption spectroscopy with regard to the investigation of the variation of the proton-to-electron mass-ratio mu. The demand for precision requires an understanding of the errors involved and effective techniques to handle present systematic errors.
Methods. An analysis based on UVES high resolution data sets of QSO 0347-383 and its DLA is put forward and new approaches to some of the steps involved in the data analysis are introduced. We apply corrections for the observed offsets between discrete spectra and for the first time we find indications for inter-order distortions.
Results. Drawing on VLT-UVES observations of QSO 0347-383 in 2009 our analysis yields Delta mu/mu = (4.3 +/- 7.2) x 10(-6) at z(abs) = 3.025.
Conclusions. Current analyzes tend to underestimate the impact of systematic errors. Based on the scatter of the measured redshifts and the corresponding low significance of the redshift-sensitivity correlation we estimate the limit of accuracy of line position measurements to similar to 220 m s (1), consisting of roughly 150 m s (1) due to the uncertainty of the absorption line fit and about 150 m s (1) allocated to systematics related to instrumentation and calibration.
We explore the properties of adsorption of flexible polyelectrolyte chains in confined spaces between the oppositely charged surfaces in three basic geometries. A method of approximate uniformly valid solutions for the Green function equation for the eigenfunctions of polymer density distributions is developed to rationalize the critical adsorption conditions. The same approach was implemented in our recent study for the inverse problem of polyelectrolyte adsorption onto a planar surface, and on the outer surface of rod-like and spherical obstacles. For the three adsorption geometries investigated, the theory yields simple scaling relations for the minimal surface charge density that triggers the chain adsorption, as a function of the Debye screening length and surface curvature. The encapsulation of polyelectrolytes is governed by interplay of the electrostatic attraction energy toward the adsorbing surface and entropic repulsion of the chain squeezed into a thin slit or small cavities. Under the conditions of surface-mediated confinement, substantially larger polymer linear charge densities are required to adsorb a polyelectrolyte inside a charged spherical cavity, relative to a cylindrical pore and to a planar slit (at the same interfacial surface charge density). Possible biological implications are discussed briefly in the end.
A comprehensive numerical device simulation of the electrical and optical characteristics accompanied with experimental measurements of a new highly efficient system for polymer-based light-emitting diodes doped with phosphorescent dyes is presented. The system under investigation comprises an electron transporter attached to a polymer backbone blended with an electronically inert small molecule and an iridium-based green phosphorescent dye which serves as both emitter and hole transporter. The device simulation combines an electrical and an optical model. Based on the known highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) levels of all components as well as the measured electrical and optical characteristics of the devices, we model the emissive layer as an effective medium using the dye's HOMO as hole transport level and the polymer LUMO as electron transport level. By fine-tuning the injection barriers at the electron and hole-injecting contact, respectively, in simulated devices, unipolar device characteristics were fitted to the experimental data. Simulations using the so-obtained set of parameters yielded very good agreement to the measured currentvoltage, luminancevoltage characteristics, and the emission profile of entire bipolar light-emitting diodes, without additional fitting parameters. The simulation was used to gain insight into the physical processes and the mechanisms governing the efficiency of the organic light-emitting diode, including the position and extent of the recombination zone, carrier concentration profiles, and field distribution inside the device. The simulations show that the device is severely limited by hole injection, and that a reduction of the hole-injection barrier would improve the device efficiency by almost 50%.
One of the main milestones in the study of opto- and electromechanical systems is to certify entanglement between a mechanical resonator and an optical or microwave mode of a cavity field. In this work, we show how a suitable time-periodic modulation can help to achieve large degrees of entanglement, building upon the framework introduced in Mari and Eisert (2009 Phys. Rev. Lett. 103 213603). It is demonstrated that with suitable driving, the maximum degree of entanglement can be significantly enhanced, in a way exhibiting a nontrivial dependence on the specifics of the modulation. Such time-dependent driving might help to experimentally achieve entangled mechanical systems also in situations when quantum correlations are otherwise suppressed by thermal noise.
We analyze theoretically the influence of low-dielectric boundaries on the adsorption of flexible polyelectrolytes onto planar and spherical oppositely charged surfaces in electrolyte solutions. We rationalize to what extent polymer chains are depleted from adsorbing interfaces by repulsive image forces. We employ the WKB (Wentzel-Kramers-Brillouin) quantum mechanical method for the Green function of the Edwards equation to determine the adsorption equilibrium. Scaling relations are determined for the critical adsorption strength required to initiate polymer adsorption onto these low-dielectric supports. Image-force repulsion shifts the equilibrium toward the desorbed state, demanding larger surface charge densities and polyelectrolyte linear charge densities for the adsorption to take place. The effect is particularly pronounced for a planar interface in a low-salt regime, where a dramatic change in the scaling behavior for the adsorption-desorption transition is predicted. For the adsorbed state, polymers with higher charge densities are displaced further from the interface by image-charge repulsions. We discuss relevant experimental evidence and argue about possible biological applications of the results.
In this paper, we analytically study a star motif of Stuart-Landau oscillators, derive the bifurcation diagram and discuss the different forms of synchronization arising in such a system. Despite the parameter mismatch between the central node and the peripheral ones, an analytical approach independent of the number of units in the system has been proposed. The approach allows to calculate the separatrices between the regions with distinct dynamical behavior and to determine the nature of the different transitions to synchronization appearing in the system. The theoretical analysis is supported by numerical results.
Particles in Saturn's main rings range in size from dust to kilometer-sized objects. Their size distribution is thought to be a result of competing accretion and fragmentation processes. While growth is naturally limited in tidal environments, frequent collisions among these objects may contribute to both accretion and fragmentation. As ring particles are primarily made of water ice attractive surface forces like adhesion could significantly influence these processes, finally determining the resulting size distribution. Here, we derive analytic expressions for the specific self-energy Q and related specific break-up energy Q(star) of aggregates. These expressions can be used for any aggregate type composed of monomeric constituents. We compare these expressions to numerical experiments where we create aggregates of various types including: regular packings like the face-centered cubic (fcc), Ballistic Particle Cluster Aggregates (BPCA), and modified BPCAs including e.g. different constituent size distributions. We show that accounting for attractive surface forces such as adhesion a simple approach is able to: (a) generally account for the size dependence of the specific break-up energy for fragmentation to occur reported in the literature, namely the division into "strength" and "gravity" regimes and (b) estimate the maximum aggregate size in a collisional ensemble to be on the order of a few tens of meters, consistent with the maximum particle size observed in Saturn's rings of about 10 m.
A membrane of a dielectric elastomer coated with compliant electrodes may form wrinkles as the applied voltage is ramped up. We present a combination of experiment and theory to investigate the transition to wrinkles using a clamped membrane subject to a constant force and a voltage ramp. Two types of transitions are identified. In type-I transition, the voltage-stretch curve is N-shaped, and flat and wrinkled regions coexist in separate areas of the membrane. The type-I transition progresses by nucleation of small wrinkled regions, followed by the growth of the wrinkled regions at the expense of the flat regions, until the entire membrane is wrinkled. By contrast, in type-II transition, the voltage-stretch curve is monotonic, and the entire flat membrane becomes wrinkled with no nucleation barrier. The two types of transitions are analogous to the first and the second order phase transitions. While the type-I transition is accompanied by a jump in the vertical displacement, type-II transition is accompanied by a continuous change in the vertical displacement. Such transitions may enable applications in muscle-like actuation and energy harvesting, where large deformation and large energy of conversion are desired.
Dielectric elastomer actuators (DEAs) draw their function from their dielectric and mechanical properties. The paper describes the fabrication and various properties of molecularly grafted silicone elastomer films. This was achieved by addition of high-dipole molecular co-substituents to off-the-shelf silicone elastomer kits, Elastosil RT 625 and Sylgard 184 by Wacker and Dow Corning, respectively. Strong push-pull dipoles were chemically grafted to both polymer networks during a one step film formation process. All manufactured films were characterized using (13) C-NMR and FT-IR spectroscopy, confirming a successful attachment of the dipoles to the silicone network. Differential scanning calorimetry (DSC) results showed that grafted dipoles were distributed homogeneously throughout the material avoiding the formation of nano-scale aggregates. The permittivity increased with the amount of dipole at all frequencies, while the Young's modulus and electrical breakdown strength were reduced. Actuation strain measurements in the pure shear configuration independently confirmed the increase in electromechanical sensitivity. The ability to enhance electromechanical properties of off-the-shelf materials could strongly expand the range of actuator properties available to researchers and end-users.
It is well known that the spacetime diagrams of some cellular automata have a self-similar fractal structure: for instance Wolfram's rule 90 generates a Sierpinski triangle. Explaining the self-similarity of the spacetime diagrams of cellular automata is a well-explored topic, but virtually all of the results revolve around a special class of automata, whose typical features include irreversibility, an alphabet with a ring structure, a global evolution that is a ring homomorphism, and a property known as (weakly) p-Fermat. The class of automata that we study in this article has none of these properties. Their cell structure is weaker, as it does not come with a multiplication, and they are far from being p-Fermat, even weakly. However, they do produce self-similar spacetime diagrams, and we explain why and how.
In both eukaryotic and prokaryotic DNA sequences of 30-100 base-pairs rich in AT base-pairs have been identified at which the double helix preferentially unwinds. Such DNA unwinding elements are commonly associated with origins for DNA replication and transcription, and with chromosomal matrix attachment regions. Here we present a quantitative study of local DNA unwinding based on extensive single DNA plasmid imaging. We demonstrate that long-lived single-stranded denaturation bubbles exist in negatively supercoiled DNA, at the expense of partial twist release. Remarkably, we observe a linear relation between the degree of supercoiling and the bubble size, in excellent agreement with statistical modelling. Furthermore, we obtain the full distribution of bubble sizes and the opening probabilities at varying salt and temperature conditions. The results presented herein underline the important role of denaturation bubbles in negatively supercoiled DNA for biological processes such as transcription and replication initiation in vivo.
We present a model for cosmological inflation which has a natural "turn on'' and a natural "turn off'' mechanism. In our model inflation is driven by the Hawking-like radiation that occurs in Friedmann-Robertson-Walker (FRW) space-time. This Hawking-like radiation results in an effective negative pressure "fluid'' which leads to a rapid period of expansion in the very early Universe. As the Universe expands the FRW Hawking temperature decreases and the inflationary expansion turns off and makes a natural transition to the power-law expansion of a radiation dominated universe. The turn on mechanism is more speculative, but is based on the common hypothesis that in a quantum theory of gravity at very high temperatures/high densities Hawking radiation will stop. Applying this speculation to the very early Universe implies that the Hawking-like radiation of the FRW space-time will be turned off and therefore the inflation driven by this radiation will turn off.
We employ the ultrafast response of a 15.4 nm thin SrRuO3 layer grown epitaxially on a SrTiO3 substrate to perform time-domain sampling of an x-ray pulse emitted from a synchrotron storage ring. Excitation of the sample with an ultrashort laser pulse triggers coherent expansion and compression waves in the thin layer, which turn the diffraction efficiency on and off at a fixed Bragg angle during 5 ps. This is significantly shorter than the duration of the synchrotron x-ray pulse of 100 ps. Cross-correlation measurements of the ultrafast sample response and the synchrotron x-ray pulse allow to reconstruct the x-ray pulse shape.
Combining extensive molecular dynamics simulations of lipid bilayer systems of varying chemical compositions with single-trajectory analyses, we systematically elucidate the stochastic nature of the lipid motion. We observe subdiffusion over more than 4 orders of magnitude in time, clearly stretching into the submicrosecond domain. The lipid motion depends on the lipid chemistry, the lipid phase, and especially the presence of cholesterol. We demonstrate that fractional Langevin equation motion universally describes the lipid motion in all phases, including the gel phase, and in the presence of cholesterol. The results underline the relevance of anomalous diffusion in lipid bilayers and the strong effects of the membrane composition.
Long-range corrected hybrid functionals that employ a nonempirically tuned range-separation parameter have been demonstrated to yield accurate ionization potentials and fundamental gaps for a wide range of finite systems. Here, we address the question of whether this high level of accuracy is limited to the highest occupied/lowest unoccupied energy levels to which the range-separation parameter is tuned or whether it is retained for the entire valence spectrum. We examine several pi-conjugated molecules and find that orbitals of a different character and symmetry require significantly different range-separation parameters and fractions of exact exchange. This imbalanced treatment of orbitals of a different nature biases the resulting eigenvalue spectra. Thus, the existing schemes for the tuning of range-separated hybrid functionals, while providing for good agreement between the highest occupied energy level and the first ionization potential, do not achieve accuracy comparable to reliable G(0)W(0) computations for the entire quasiparticle spectrum.
We studied transitions between spatiotemporal patterns that can be induced in a spatially extended nonlinear chemical system by a unidirectional flow in combination with constant inflow concentrations. Three different scenarios were investigated. (i) Under conditions where the system exhibited two stable fixed points, the propagation direction of trigger fronts could be reversed, so that domains of the less stable fixed point invaded the system. (ii) For bistability between a stable fixed point and a limit cycle we observed that above a critical flow velocity, the unstable focus at the center of the limit cycle could be stabilized. Increasing the flow speed further, a regime of damped flow-distributed oscillations was found and, depending on the boundary values at the inflow, finally the stable fixed point dominated. Similarly, also in the case of spatiotemporal chaos (iii), the unstable steady state could be stabilized and was replaced by the stable fixed point with increasing flow velocity. We finally outline a linear stability analysis that can explain part of our findings.
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.
In this work we construct a unified model of dark energy and dark matter. This is done with the following three elements: a gravitating scalar field, phi with a non-conventional kinetic term, as in the string theory tachyon; an arbitrary potential, V (phi); two measures - a metric measure (root-g) and a non-metric measure (Phi). The model has two interesting features: (i) For potentials which are unstable and would give rise to tachyonic scalar field, this model can stabilize the scalar field. (ii) The form of the dark energy and dark matter that results from this model is fairly insensitive to the exact form of the scalar field potential.
The present work was carried out to compare the formation of single icosahedral phase during conventional heating and microwave processing. Al67Cu23Fe10 alloy powder was synthesized from high purity (99.9%) powder elements by mechanical alloying. Differential scanning calorimetry combined with in-situ synchrotron energy dispersive X-ray diffraction was used to identify the main solid state reactions and the phase evolution of the powders. Inductive microwave processing in the magnetic field anti-node was performed to obtain the quasicrystalline phase in only a few seconds. Due to the rapid cooling of the sample it was possible to stabilize the icosahedral phase against its competing quasicrystalline approximants. Laboratory X-ray diffraction analysis was used to characterise the atomic structure of the specimen and scanning electron microscopy was used to characterise the microstructure after the microwave processing.
The role of ergodicity in anomalous stochastic processes - analysis of single-particle trajectories
(2012)
Single-particle experiments produce time series x(t) of individual particle trajectories, frequently revealing anomalous diffusion behaviour. Typically, individual x(t) are evaluated in terms of time-averaged quantities instead of ensemble averages. Here we discuss the behaviour of the time-averaged mean squared displacement of different stochastic processes giving rise to anomalous diffusion. In particular, we pay attention to the ergodic properties of these processes, i.e. the (non)equivalence of time and ensemble averages.
We study the dynamics of Dirac-Born-Infeld (DBI) dark energy interacting with dark matter. The DBI dark energy model considered here has a scalar field with a nonstandard kinetic energy term, and has potential and brane tension that are power-law functions. The new feature considered here is an interaction between the DBI dark energy and dark matter through a phenomenological interaction between the DBI scalar field and the dark matter fluid. We analyze two different types of interactions between the DBI scalar field and the dark matter fluid. In particular we study the phase-space diagrams of and look for critical points of the phase space that are both stable and lead to accelerated, late-time expansion. In general we find that the interaction between the two dark components does not appear to give rise to late-time accelerated expansion. However, the interaction can make the critical points in the phase space of the system stable. Whether such stabilization occurs or not depends on the form of the interaction between the two dark components.
The class of 2,5 disubstituted-1,3,4-oxadiazoles containing a biphenyl unit on one side is intensively used as electron transport materials to enhance the performance of organic light emitting diodes (OLEDs). In contrast to the ongoing research on these materials insights in their structure-property relationships are still incomplete. To overcome the structural tentativeness and ambiguities the crystal structures of 2-(4-biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole, that of the related compound 2-(4-biphenylyl)-5-phenyl-1,3,4-oxadiazole and of 2-(4-biphenylyl)-5-(2,6-dimethylphenyl)-1,3,4-oxadiazole are determined. A comparison with the results of GAUSSIAN03 calculations and similar compounds in the Cambridge Structural Database leads to a profound characterization.
Measured mobility and current-voltage characteristics of single layer and photovoltaic (PV) devices composed of poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4-phenylene)diamine} (PFB) and poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC) approach. Our aim is to show how to avoid the uncertainties common in electrical transport models arising from the need to fit a large number of parameters when little information is available, for example, a single current-voltage curve. Here, simulation parameters are derived from a series of measurements using a self-consistent "building-blocks" approach, starting from data on the simplest systems. We found that site energies show disorder and that correlations in the site energies and a distribution of deep traps must be included in order to reproduce measured charge mobility-field curves at low charge densities in bulk PFB and F8BT. The parameter set from the mobility-field curves reproduces the unipolar current in single layers of PFB and F8BT and allows us to deduce charge injection barriers. Finally, by combining these disorder descriptions and injection barriers with an optical model, the external quantum efficiency and current densities of blend and bilayer organic PV devices can be successfully reproduced across a voltage range encompassing reverse and forward bias, with the recombination rate the only parameter to be fitted, found to be 1 x 10(7) s(-1). These findings demonstrate an approach that removes some of the arbitrariness present in transport models of organic devices, which validates the KMC as an accurate description of organic optoelectronic systems, and provides information on the microscopic origins of the device behavior.
Many-body perturbation theory in the GW approximation is a useful method for describing electronic properties associated with charged excitations. A hierarchy of GW methods exists, starting from non-self-consistent G(0)W(0), through partial self-consistency in the eigenvalues and in the Green's function (scGW(0)), to fully self-consistent GW (scGW). Here, we assess the performance of these methods for benzene, pyridine, and the diazines. The quasiparticle spectra are compared to photoemission spectroscopy (PES) experiments with respect to all measured particle removal energies and the ordering of the frontier orbitals. We find that the accuracy of the calculated spectra does not match the expectations based on their level of self-consistency. In particular, for certain starting points G(0)W(0) and scGW(0) provide spectra in better agreement with the PES than scGW.
This paper introduces and analyses a general statistical model, termed the RAndom RElaxations (RARE) model, of random relaxation processes in disordered systems. The model considers excitations that are randomly scattered around a reaction center in a general embedding space. The model's input quantities are the spatial scattering statistics of the excitations around the reaction center, and the chemical reaction rates between the excitations and the reaction center as a function of their mutual distance. The framework of the RARE model is versatile and a detailed stochastic analysis of the random relaxation processes is established. Analytic results regarding the duration and the range of the random relaxation processes, as well as the model's thermodynamic limit, are obtained in closed form. In particular, the case of power-law inputs, which turn out to yield stretched exponential relaxation patterns and asymptotically Paretian relaxation ranges, is addressed in detail.
The Low Earth Orbit (LEO) experiment Biology and Mars Experiment (BIOMEX) is an interdisciplinary and international space research project selected by ESA. The experiment will be accommodated on the space exposure facility EXPOSE-R2 on the International Space Station (ISS) and is foreseen to be launched in 2013. The prime objective of BIOMEX is to measure to what extent biomolecules, such as pigments and cellular components, are resistant to and able to maintain their stability under space and Mars-like conditions. The results of BIOMEX will be relevant for space proven biosignature definition and for building a biosignature data base (e.g. the proposed creation of an international Raman library). The library will be highly relevant for future space missions such as the search for life on Mars. The secondary scientific objective is to analyze to what extent terrestrial extremophiles are able to survive in space and to determine which interactions between biological samples and selected minerals (including terrestrial, Moon- and Mars analogs) can be observed under space and Mars-like conditions. In this context, the Moon will be an additional platform for performing similar experiments with negligible magnetic shielding and higher solar and galactic irradiation compared to LEO. Using the Moon as an additional astrobiological exposure platform to complement ongoing astrobiological LEO investigations could thus enhance the chances of detecting organic traces of life on Mars. We present a lunar lander mission with two related objectives: a lunar lander equipped with Raman and PanCam instruments which can analyze the lunar surface and survey an astrobiological exposure platform. This dual use of testing mission technology together with geo- and astrobiological analyses will significantly increase the science return, and support the human preparation objectives. It will provide knowledge about the Moon's surface itself and, in addition, monitor the stability of life-markers, such as cells, cell components and pigments, in an extraterrestrial environment with much closer radiation properties to the surface of Mars. The combination of a Raman data base of these data together with data from LEO and space simulation experiments, will lead to further progress on the analysis and interpretation of data that we will obtain from future Moon and Mars exploration missions.
Systems with the same local dynamics but different types of diffusive instabilities may show the same type of patterns. In this paper, we show that under the influence of advective flow the scenario of patterns that is formed at different velocities change; therefore, we propose the use of advective flow as a tool to uncover the underlying instabilities of a reaction-diffusion system.
Formation or destruction of hyperbolic chaotic attractor under parameter variation is considered with an example represented by Smale-Williams solenoid in stroboscopic Poincare map of two alternately excited non-autonomous van der Pol oscillators. The transition occupies a narrow but finite parameter interval and progresses in such way that periodic orbits constituting a "skeleton" of the attractor undergo saddle-node bifurcation events involving partner orbits from the attractor and from a non-attracting invariant set, which forms together with its stable manifold a basin boundary of the attractor.
The bacterial xanthine dehydrogenase (XDH) from Rhodobacter capsulatus was immobilized on an edge-plane pyrolytic graphite (EPG) electrode to construct a hypoxanthine/xanthine biosensor that functions at physiological pH. Phenazine methosulfate (PMS) was used as a mediator which acts as an artificial electron-transfer partner for XDH. The enzyme catalyzes the oxidation of hypoxanthine to xanthine and also xanthine to uric acid by an oxidative hydroxylation mechanism. The present electrochemical biosensor was optimized in terms of applied potential and pH. The electrocatalytic oxidation response showed a linear dependence on the xanthine concentration ranging from 1.0 X 10(-5) to 1.8 X 10(-3) M with a correlation coefficient of 0.994. The modified electrode shows a very low detection limit for xanthine of 0.25 nM (signal-to-noise ratio = 3) using controlled potential amperometry.
We show that quantum circuits where the initial state and all the following quantum operations can be represented by positive Wigner functions can be classically efficiently simulated. This is true both for continuous-variable as well as discrete variable systems in odd prime dimensions, two cases which will be treated on entirely the same footing. Noting the fact that Clifford and Gaussian operations preserve the positivity of the Wigner function, our result generalizes the Gottesman-Knill theorem. Our algorithm provides a way of sampling from the output distribution of a computation or a simulation, including the efficient sampling from an approximate output distribution in the case of sampling imperfections for initial states, gates, or measurements. In this sense, this work highlights the role of the positive Wigner function as separating classically efficiently simulable systems from those that are potentially universal for quantum computing and simulation, and it emphasizes the role of negativity of the Wigner function as a computational resource.
Structural integrity of infrastructures can be preserved if damage is diagnosed, localized, and repaired in time. During the past decade, there has been a considerable effort to automate the process of structural health monitoring, which is complicated by the inherent large size of civil structures. Hence, a need has arisen to develop new approaches that enable more effective health monitoring.
In this paper, a new sensing technique for damage localization on large civil structures is proposed. Specifically, changes in strain are detected using a capacitance sensor built with a soft, stretchable dielectric polymer with attached stretchable metal film electrodes. A change in strain causes a measurable change in the capacitance of the sensor, which can be directly monitored when the sensor is fixed to a structure.
The proposed method is shown here to permit an accurate detection of cracks. The proposed system deploys a layer of dielectric polymer on the surface of a structural element, and regularly monitors any change in capacitance, giving in turn information about the structural state. The smart material is composed of inexpensive silicone elastomers, which make the monitoring system a promising application for large surfaces. Results from tests conducted on small- scale specimens showed that the technology is capable of detecting cracks, and tests conducted on large- size specimens demonstrated that several sensor patches organized on a sensor sheet are capable of localizing a crack. The sensor strain also exhibits a high correlation with the loss of stiffness.
We experimentally analyze collective dynamics of a population of 20 electronic Wien-bridge limit-cycle oscillators with a nonlinear phase-shifting unit in the global feedback loop. With an increase in the coupling strength we first observe formation and then destruction of a synchronous cluster, so that the dependence of the order parameter on the coupling strength is not monotonic. After destruction of the cluster the ensemble remains nevertheless coherent, i.e., it exhibits an oscillatory collective mode (mean field). We show that the system is now in a self-organized quasiperiodic state, predicted in Rosenblum and Pikovsky [Phys. Rev. Lett. 98, 064101 (2007)]. In this state, frequencies of all oscillators are smaller than the frequency of the mean field, so that the oscillators are not locked to the mean field they create and their dynamics is quasiperiodic. Without a nonlinear phase-shifting unit, the system exhibits a standard Kuramoto-like transition to a fully synchronous state. We demonstrate a good correspondence between the experiment and previously developed theory. We also propose a simple measure which characterizes the macroscopic incoherence-coherence transition in a finite-size ensemble.
Spatiotemporal chaos arising from standing waves in a reaction-diffusion system with cross-diffusion
(2012)
We show that quasi-standing wave patterns appear in the two-variable Oregonator model of the Belousov-Zhabotinsky reaction when a cross-diffusion term is added, no wave instability is required in this case. These standing waves have a frequency that is half the frequency of bulk oscillations displayed in the absence of diffusive coupling. The standing wave patterns show a dependence on the systems size. Regular standing waves can be observed for small systems, when the system size is an integer multiple of half the wavelength. For intermediate sizes, irregular patterns are observed. For large sizes, the system shows an irregular state of spatiotemporal chaos, where standing waves drift, merge, and split, and also phase slips may occur.
Current models for molecular electrical doping of organic semiconductors are found to be at odds with other well-established concepts in that field, like polaron formation. Addressing these inconsistencies for prototypical systems, we present experimental and theoretical evidence for intermolecular hybridization of organic semiconductor and dopant frontier molecular orbitals. Common doping-related observations are attributed to this phenomenon, and controlling the degree of hybridization emerges as a strategy for overcoming the present limitations in the yield of doping-induced charge carriers.
The mechanism of stress relaxation in nanocrystalline Fe-N thin film has been studied. The as-deposited film possesses a strong in-plane compressive stress which relaxes with thermal annealing. Precise diffusion measurements using nuclear resonance reflectivity show that stress relaxation does not involve any long-range diffusion of Fe atoms. Rather, a redistribution of nitrogen atoms at various interstitial sites, as evidenced by conversion electron Mossbauer spectroscopy, is responsible for the relaxation of internal stresses. On the other hand, formation of the. gamma'-Fe4N phase at temperatures above 523 K involves long-range rearrangement of Fe atoms. The activation energy for Fe self-diffusion is found to be 0.38 +/- 0.04 eV.
A bright prominence associated with a coronal mass ejection (CME) was seen erupting from the Sun on 9 April 2008. This prominence was tracked by both the Solar Terrestrial Relations Observatory (STEREO) EUVI and COR1 telescopes, and was seen to rotate about the line of sight as it erupted; therefore, the event has been nicknamed the "Cartwheel CME." The threads of the prominence in the core of the CME quite clearly indicate the structure of a weakly to moderately twisted flux rope throughout the field of view, up to heliocentric heights of 4 solar radii. Although the STEREO separation was 48A degrees, it was possible to match some sharp features in the later part of the eruption as seen in the 304 line in EUVI and in the H alpha-sensitive bandpass of COR1 by both STEREO Ahead and Behind. These features could then be traced out in three-dimensional space, and reprojected into a view in which the eruption is directed toward the observer. The reconstructed view shows that the alignment of the prominence to the vertical axis rotates as it rises up to a leading-edge height of a parts per thousand aEuro parts per thousand 2.5 solar radii, and then remains approximately constant. The alignment at 2.5 solar radii differs by about 115A degrees from the original filament orientation inferred from H alpha and EUV data, and the height profile of the rotation, obtained here for the first time, shows that two thirds of the total rotation are reached within a parts per thousand aEuro parts per thousand 0.5 solar radii above the photosphere. These features are well reproduced by numerical simulations of an unstable moderately twisted flux rope embedded in external flux with a relatively strong shear field component.