@misc{TalukderSenChakrabortietal.2014, author = {Talukder, Srijeeta and Sen, Shrabani and Chakraborti, Prantik and Metzler, Ralf and Banik, Suman K. and Chaudhury, Pinaki}, title = {Breathing dynamics based parameter sensitivity analysis of hetero-polymeric DNA}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, volume = {140}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, number = {14}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-9606}, doi = {10.1063/1.4871297}, pages = {1}, year = {2014}, abstract = {We study the parameter sensitivity of hetero-polymeric DNA within the purview of DNA breathing dynamics. The degree of correlation between the mean bubble size and the model parameters is estimated for this purpose for three different DNA sequences. The analysis leads us to a better understanding of the sequence dependent nature of the breathing dynamics of hetero-polymeric DNA. Out of the 14 model parameters for DNA stability in the statistical Poland-Scheraga approach, the hydrogen bond interaction epsilon(hb)(AT) for an AT base pair and the ring factor. turn out to be the most sensitive parameters. In addition, the stacking interaction epsilon(st)(TA-TA) for an TA-TA nearest neighbor pair of base-pairs is found to be the most sensitive one among all stacking interactions. Moreover, we also establish that the nature of stacking interaction has a deciding effect on the DNA breathing dynamics, not the number of times a particular stacking interaction appears in a sequence. We show that the sensitivity analysis can be used as an effective measure to guide a stochastic optimization technique to find the kinetic rate constants related to the dynamics as opposed to the case where the rate constants are measured using the conventional unbiased way of optimization.}, language = {en} } @article{ShalomInalNeheretal.2014, author = {Shalom, Menny and Inal, Sahika and Neher, Dieter and Antonietti, Markus}, title = {SiO2/carbon nitride composite materials: The role of surfaces for enhanced photocatalysis}, series = {Catalysis today : a serial publication dealing with topical themes in catalysis and related subjects}, volume = {225}, journal = {Catalysis today : a serial publication dealing with topical themes in catalysis and related subjects}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0920-5861}, doi = {10.1016/j.cattod.2013.12.013}, pages = {185 -- 190}, year = {2014}, abstract = {The effect of SiO2 nanoparticles on carbon nitride (C3N4) photoactivity performance is described. The composite SiO2-C3N4 materials exhibit a higher activity in the photo degradation of RhB dye. A detailed analysis of the chemical and optical properties of the composite C3N4 materials shows that the photo activity increases with higher SiO2 concentration. We found out that the presence of SiO2 nanoparticles strongly affects the fluorescence intensity of the matrix and life time by the creation of new energy states for charge transfer within the C3N4. Furthermore, the use of SiO2 in the synthesis of C3N4 leads to new morphology with higher surface area which results in another, secondary improvement of C3N4 photoactivity. The effect of different surfaces within C3N4 on its chemical and electronic properties is discussed and a tentative mechanism is proposed. The utilization of SiO2 nanoparticles improves both photophysical and chemical properties of C3N4 and opens new possibilities for further enhancement of C3N4 catalytic properties by the formation of composites with many other materials.}, language = {en} } @article{HarrisMellinger2014, author = {Harris, Scott and Mellinger, Axel}, title = {Towards a better understanding of dielectric barrier discharges in ferroelectrets: Paschen breakdown fields in micrometer sized voids}, series = {Journal of applied physics}, volume = {115}, journal = {Journal of applied physics}, number = {16}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-8979}, doi = {10.1063/1.4871678}, pages = {5}, year = {2014}, abstract = {Charged cellular polypropylene foams (i.e., ferro-or piezoelectrets) demonstrate high piezoelectric activity upon being electrically charged. When an external electric field is applied, dielectric barrier discharges (DBDs) occur, resulting in a separation of charges which are subsequently deposited on dielectric surfaces of internal micrometer sized voids. This deposited space charge is responsible for the piezoelectric activity of the material. Previous studies have indicated charging fields larger than predicted by Townsend's model of Paschen breakdown applied to a multilayered electromechanical model; a discrepancy which prompted the present study. The actual breakdown fields for micrometer sized voids were determined by constructing single cell voids using polypropylene spacers with heights ranging from 8 to 75 mu m, "sandwiched" between two polypropylene dielectric barriers and glass slides with semi-transparent electrodes. Subsequently, a bipolar triangular charging waveform with a peak voltage of 6 kV was applied to the samples. The breakdown fields were determined by monitoring the emission of light due to the onset of DBDs using an electron multiplying CCD camera. The breakdown fields at absolute pressures from 101 to 251 kPa were found to be in good agreement with the standard Paschen curves. Additionally, the magnitude of the light emission was found to scale linearly with the amount of gas, i.e., the height of the voids. Emissions were homogeneous over the observed regions of the voids for voids with heights of 25 lm or less and increasingly inhomogeneous for void heights greater than 40 lm at high electric fields.}, language = {en} } @article{KruesemannGodecMetzler2014, author = {Kr{\"u}semann, Henning and Godec, Aljaz and Metzler, Ralf}, title = {First-passage statistics for aging diffusion in systems with annealed and quenched disorder}, series = {Physical review : E, Statistical, nonlinear and soft matter physics}, volume = {89}, journal = {Physical review : E, Statistical, nonlinear and soft matter physics}, number = {4}, publisher = {American Physical Society}, address = {College Park}, issn = {1539-3755}, doi = {10.1103/PhysRevE.89.040101}, pages = {5}, year = {2014}, abstract = {Aging, the dependence of the dynamics of a physical process on the time t(a) since its original preparation, is observed in systems ranging from the motion of charge carriers in amorphous semiconductors over the blinking dynamics of quantum dots to the tracer dispersion in living biological cells. Here we study the effects of aging on one of the most fundamental properties of a stochastic process, the first-passage dynamics. We find that for an aging continuous time random walk process, the scaling exponent of the density of first-passage times changes twice as the aging progresses and reveals an intermediate scaling regime. The first-passage dynamics depends on t(a) differently for intermediate and strong aging. Similar crossovers are obtained for the first-passage dynamics for a confined and driven particle. Comparison to the motion of an aged particle in the quenched trap model with a bias shows excellent agreement with our analytical findings. Our results demonstrate how first-passage measurements can be used to unravel the age t(a) of a physical system.}, language = {en} } @article{AlbrechtLevermann2014, author = {Albrecht, Torsten and Levermann, Anders}, title = {Spontaneous ice-front retreat caused by disintegration of adjacent ice shelf in Antarctica}, series = {Earth \& planetary science letters}, volume = {393}, journal = {Earth \& planetary science letters}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0012-821X}, doi = {10.1016/j.epsl.2014.02.034}, pages = {26 -- 30}, year = {2014}, abstract = {Antarctic ice-discharge constitutes the largest uncertainty in future sea-level projections. Floating ice shelves, fringing most of Antarctica, exert retentive forces onto the ice flow. While abrupt ice-shelf retreat has been observed, it is generally considered a localized phenomenon. Here we show that the disintegration of an ice shelf may induce the spontaneous retreat of its neighbor. As an example, we reproduce the spontaneous but gradual retreat of the Larsen B ice front as observed after the disintegration of the adjacent Larsen A ice shelf. We show that the Larsen A collapse yields a change in spreading rate in Larsen B via their connecting ice channels and thereby causes a retreat of the ice front to its observed position of the year 2000, prior to its collapse. This mechanism might be particularly relevant for the role of East Antarctica and the Antarctic Peninsula in future sea level.}, language = {en} } @article{Cherstvy2014, author = {Cherstvy, Andrey G.}, title = {Electrostatics and charge regulation in polyelectrolyte multi layered assembly}, series = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, volume = {118}, journal = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry}, number = {17}, publisher = {American Chemical Society}, address = {Washington}, issn = {1520-6106}, doi = {10.1021/jp502460v}, pages = {4552 -- 4560}, year = {2014}, abstract = {We examine the implications of electrostatic interactions on formation of polyelectrolyte multilayers, in application to field-effect based biosensors for label-free detection of charged macromolecules. We present a quantitative model to describe the experimental potentiometric observations and discuss its possibilities and limitations for detection of polyelectrolyte adsorption. We examine the influence of the ionic strength and pH on the sensor response upon polyelectrolyte layer-by-layer formation. The magnitude of potential oscillations on the sensor-electrolyte interface predicted upon repetitive adsorption charge-alternating polymers agrees satisfactorily with experimental results. The model accounts for different screening by mobile ions in electrolyte and inside tightly interdigitated multilayered structure. In particular, we show that sensors' potential oscillations are larger and more persistent at lower salt conditions, while they decay faster with the number of layers at higher salt conditions, in agreement with experiments. The effects of polyelectrolyte layer thickness, substrate potential, and charge regulation on the sensor surface triggered by layer-by-layer deposition are also analyzed.}, language = {en} } @article{PradhanAlbrechtStilleretal.2014, author = {Pradhan, Basudev and Albrecht, Steve and Stiller, Burkhard and Neher, Dieter}, title = {Inverted organic solar cells comprising low-temperature-processed ZnO films}, series = {Applied physics : A, Materials science \& processing}, volume = {115}, journal = {Applied physics : A, Materials science \& processing}, number = {2}, publisher = {Springer}, address = {New York}, issn = {0947-8396}, doi = {10.1007/s00339-014-8373-8}, pages = {365 -- 369}, year = {2014}, abstract = {Inverted organic solar cells are fabricated using low-temperature-annealed ZnO film as an electron transport layer. Uniform ZnO films were prepared by spin coating a diethylzinc (DEZ) precursor solution in air, followed by annealing at 100 A degrees C. Organic solar cells prepared on these ZnO films with a 1:1 P3HT:PCBM blend as the active layer show a high power conversion efficiency of 4.03 \%, which is more than 10 \% higher than the PCE of solar cells comprising ZnO prepared via a high-temperature sol-gel route.}, language = {en} } @article{Baushev2014, author = {Baushev, Anton N.}, title = {Galaxy halo formation in the absence of violent relaxation and a universal density profile of the halo center}, series = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, volume = {786}, journal = {The astrophysical journal : an international review of spectroscopy and astronomical physics}, number = {1}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {0004-637X}, doi = {10.1088/0004-637X/786/1/65}, pages = {8}, year = {2014}, abstract = {While N-body simulations testify to a cuspy profile of the central region of dark matter halos, observations favor a shallow, cored density profile of the central region of at least some spiral galaxies and dwarf spheroidals. We show that a central profile, very close to the observed one, inevitably forms in the center of dark matter halos if we make a supposition about a moderate energy relaxation of the system during the halo formation. If we assume the energy exchange between dark matter particles during the halo collapse is not too intensive, the profile is universal: it depends almost not at all on the properties of the initial perturbation and is very akin, but not identical, to the Einasto profile with a small Einasto index n similar to 0.5. We estimate the size of the "central core" of the distribution, i.e., the extent of the very central region with a respectively gentle profile, and show that the cusp formation is unlikely, even if the dark matter is cold. The obtained profile is in good agreement with observational data for at least some types of galaxies but clearly disagrees with N-body simulations.}, language = {en} } @article{KniepertLangevanderKaapetal.2014, author = {Kniepert, Juliane and Lange, Ilja and van der Kaap, Niels J. and Koster, L. Jan Anton and Neher, Dieter}, title = {A conclusive view on charge generation, recombination, and extraction in As-prepared and annealed P3HT:PCBM blends: combined experimental and simulation work}, series = {dvanced energy materials}, volume = {4}, journal = {dvanced energy materials}, number = {7}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1614-6832}, doi = {10.1002/aenm.201301401}, pages = {11}, year = {2014}, abstract = {Time-delayed collection field (TDCF) and bias-amplified charge extraction (BACE) are applied to as-prepared and annealed poly(3-hexylthiophene):[6,6]-phenyl C-71 butyric acid methyl ester (P3HT:PCBM) blends coated from chloroform. Despite large differences in fill factor, short-circuit current, and power conversion efficiency, both blends exhibit a negligible dependence of photogeneration on the electric field and strictly bimolecular recombination (BMR) with a weak dependence of the BMR coefficient on charge density. Drift-diffusion simulations are performed using the measured coefficients and mobilities, taking into account bimolecular recombination and the possible effects of surface recombination. The excellent agreement between the simulation and the experimental data for an intensity range covering two orders of magnitude indicates that a field-independent generation rate and a density-independent recombination coefficient describe the current-voltage characteristics of the annealed P3HT: PCBM devices, while the performance of the as-prepared blend is shown to be limited by space charge effects due to a low hole mobility. Finally, even though the bimolecular recombination coefficient is small, surface recombination is found to be a negligible loss mechanism in these solar cells.}, language = {en} } @article{ReindlRauchParthasarathyetal.2014, author = {Reindl, Nicole and Rauch, Thomas and Parthasarathy, M. and Werner, K. and Kruk, J. W. and Hamann, Wolf-Rainer and Sander, Andreas Alexander Christoph and Todt, Helge Tobias}, title = {The rapid evolution of the exciting star of the Stingray nebula}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {565}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {0004-6361}, doi = {10.1051/0004-6361/201323189}, pages = {14}, year = {2014}, abstract = {Context. SAO 244567, the exciting star of the Stingray nebula, is rapidly evolving. Previous analyses suggested that it has heated up from an effective temperature of about 21 kK in 1971 to over 50 kK in the 1990s. Canonical post-asymptotic giant branch evolution suggests a relatively high mass while previous analyses indicate a low-mass star. Aims. A comprehensive model-atmosphere analysis of UV and optical spectra taken during 1988-2006 should reveal the detailed temporal evolution of its atmospheric parameters and provide explanations for the unusually fast evolution. Methods. Fitting line profiles from static and expanding non-LTE model atmospheres to the observed spectra allowed us to study the temporal change of effective temperature, surface gravity, mass-loss rate, and terminal wind velocity. In addition, we determined the chemical composition of the atmosphere. Results. We find that the central star has steadily increased its effective temperature from 38 kK in 1988 to a peak value of 60 kK in 2002. During the same time, the star was contracting, as concluded from an increase in surface gravity from log g = 4.8 to 6.0 and a drop in luminosity. Simultaneously, the mass-loss rate declined from log(M/M-circle dot yr(-1)) = -9.0 to -11.6 and the terminal wind velocity increased from v(infinity) = 1800 km s(-1) to 2800 km s(-1). Since around 2002, the star stopped heating and has cooled down again to 55 kK by 2006. It has a largely solar surface composition with the exception of slightly subsolar carbon, phosphorus, and sulfur. The results are discussed by considering different evolutionary scenarios. Conclusions. The position of SAO 244567 in the log T-eff-log g plane places the star in the region of sdO stars. By comparison with stellar-evolution calculations, we confirm that SAO 244567 must be a low-mass star (M < 0.55 M-circle dot). However, the slow evolution of the respective stellar evolutionary models is in strong contrast to the observed fast evolution and the young planetary nebula with a kinematical age of only about 1000 years. We speculate that the star could be a late He-shell flash object. Alternatively, it could be the outcome of close-binary evolution. Then SAD 244567 would be a low-mass (0.354 M-circle dot) helium pre-white dwarf after the common-envelope phase, during which the planetary nebula was ejected.}, language = {en} }