Simulation of charge transport in organic semiconductors: a time-dependent multiscale method based on nonequilibrium Green's functions

In weakly interacting organic semiconductors, static disorder and dynamic disorder often have an important impact on transport properties. Describing charge transport in these systems requires an approach that correctly takes structural and electronic fluctuations into account. Here, we present a multiscale method based on a combination of molecular-dynamics simulations, electronic-structure calculations, and a transport theory that uses time-dependent nonequilibrium Green’s functions. We apply the methodology to investigate charge transport in C60-containing self-assembled monolayers, which are used in organic field-effect transistors

Macroalgae contribute to nested mosaics of pH variability in a subarctic fjord

The Arctic Ocean is considered the most vulnerable ecosystem to ocean acidification, and large-scale assessments of pH and the saturation state for aragonite (O_arag) have led to the notion that the Arctic Ocean is already close to a corrosive state. In high-latitude coastal waters the regulation of pH and O_arag is, however, far more complex than offshore because increased biological activity and input of glacial meltwater affect pH. Effects of ocean acidification on calcifiers and non-calcifying phototrophs occupying coastal habitats cannot be derived from extrapolation of current and forecasted offshore conditions, but they require an understanding of the regimes of pH and O_arag in their coastal habitats. To increase knowledge of the natural variability in pH in the Arctic coastal zone and specifically to test the influence of benthic vegetated habitats, we quantified pH variability in a Greenland fjord in a nested-scale approach. A sensor array logging pH, O₂, PAR, temperature and salinity was applied on spatial scales ranging from kilometre scale across the horizontal extension of the fjord; to 100 m scale vertically in the fjord, 10–100 m scale between subtidal habitats with and without kelp forests and between vegetated tidal pools and adjacent vegetated shores; and to centimetre to metre scale within kelp forests and millimetre scale across diffusive boundary layers of macrophyte tissue. In addition, we assessed the temporal variability in pH on diurnal and seasonal scales. Based on pH measurements combined with point samples of total alkalinity, dissolved inorganic carbon and relationships to salinity, we also estimated variability in O_arag. Results show variability in pH and O_arag of up to 0.2–0.3 units at several scales, i.e. along the horizontal and vertical extension of the fjord, between seasons and on a diel basis in benthic habitats and within 1 m³ of kelp forest. Vegetated intertidal pools exhibited extreme diel pH variability of > 1.5 units and macrophyte diffusive boundary layers a pH range of up to 0.8 units. Overall, pelagic and benthic metabolism was an important driver of pH and O_arag producing mosaics of variability from low levels in the dark to peak levels at high irradiance generally appearing favourable for calcification. We suggest that productive coastal environments may form niches of high pH in a future acidified Arctic Ocean

Comparison of K+K^+ and e−e^- Quasielastic Scattering

We formulate $K^+$-nucleus quasielastic scattering in a manner which closely parallels standard treatments of $e^-$-nucleus quasielastic scattering. For $K^+$ scattering, new responses involving scalar contributions appear in addition to the Coulomb (or longitudinal) and transverse $(e,e')$ responses which are of vector character. We compute these responses using both nuclear matter and finite nucleus versions of the Relativistic Hartree Approximation to Quantum Hadrodynamics including RPA correlations. Overall agreement with measured $(e,e')$ responses and new $K^+$ quasielastic scattering data for $^{40}$Ca at |\qs|=500 MeV/c is good. Strong RPA quenching is essential for agreement with the Coulomb response. This quenching is notably less for the $K^+$ cross section even though the new scalar contributions are even more strongly quenched than the vector contributions. We show that this ``differential quenching'' alters sensitive cancellations in the expression for the $K^+$ cross section so that it is reduced much less than the individual responses. We emphasize the role of the purely relativistic distinction between vector and scalar contributions in obtaining an accurate and consistent description of the $(e,e')$ and $K^+$ data within the framework of our nuclear structure model.Comment: 26 pages, 5 uuencoded figures appended to end of this fil

Brane/flux annihilation transitions and nonperturbative moduli stabilization

By extending the calculation of Kahler moduli stabilization to account for an embiggened antibrane, we reevaluate brane/flux annihilation in a warped throat with one stabilized Kahler modulus. We find that depending on the relative size of various fluxes three things can occur: the decay process proceeds unhindered, the anti-D3-branes are forbidden to decay classically, or the entire space decompactifies. Additionally, we show that the Kahler modulus receives a contribution from the collective 3-brane tension. This allows for a significant change in compactified volume during the transition and possibly mitigates some fine tuning otherwise required to achieve large volume.Comment: 25 pages, 6 figures, LaTeX. v2: references adde

A Statistical Approach to Multifield Inflation: Many-field Perturbations Beyond Slow Roll

We study multifield contributions to the scalar power spectrum in an ensemble of six-field inflationary models obtained in string theory. We identify examples in which inflation occurs by chance, near an approximate inflection point, and we compute the primordial perturbations numerically, both exactly and using an array of truncated models. The scalar mass spectrum and the number of fluctuating fields are accurately described by a simple random matrix model. During the approach to the inflection point, bending trajectories and violations of slow roll are commonplace, and 'many-field' effects, in which three or more fields influence the perturbations, are often important. However, in a large fraction of models consistent with constraints on the tilt the signatures of multifield evolution occur on unobservably large scales. Our scenario is a concrete microphysical realization of quasi-single-field inflation, with scalar masses of order $H$, but the cubic and quartic couplings are typically too small to produce detectable non-Gaussianity. We argue that our results are characteristic of a broader class of models arising from multifield potentials that are natural in the Wilsonian sense.Comment: 39 pages, 17 figures. References added. Matches version published in JCA

Dynamical Fine Tuning in Brane Inflation

We investigate a novel mechanism of dynamical tuning of a flat potential in the open string landscape within the context of warped brane-antibrane inflation in type IIB string theory. Because of competing effects between interactions with the moduli stabilizing D7-branes in the warped throat and anti-D3-branes at the tip, a stack of branes gives rise to a local minimum of the potential, holding the branes high up in the throat. As branes successively tunnel out of the local minimum to the bottom of the throat the potential barrier becomes lower and is eventually replaced by a flat inflection point, around which the remaining branes easily inflate. This dynamical flattening of the inflaton potential reduces the need to fine tune the potential by hand, and also leads to successful inflation for a larger range of inflaton initial conditions, due to trapping in the local minimum.Comment: 23 pages, 9 figures. v2: Updated D3-dependence in potential, small changes to numerical result

Creating number states in the micromaser using feedback

We use the quantum theory of feedback developed by Wiseman and Milburn [Phys. Rev. Lett. 70, 548 (1993)] and Wiseman [Phys. Rev. A 49, 2133 (1994)] to investigate the photon-number noise properties of the micromaser with direct detection feedback. We find that the feedback can significantly reduce the amount of noise in the photon number. Under the right conditions the feedback locks the systems onto a number state. As opposed to other schemes in the past [P. Meystre, Opt. Lett. 12, 669 (1987); J. Krause, M. O. Scully, and H. Walther, Phys. Rev. A 36, 4547 (1987)], we can fix the number states to which the system evolves. We also simulate the micromaser using the quantum-trajectories method and show that these results agree with the quantum theory of feedback. We show that the noise of quantum island states [P. Bogar, J. A. Bergou, and M. Hillary, Phys. Rev. A 50, 754 (1994)] can be significantly reduced by the feedback

Towards Open Access Publishing in High Energy Physics : Report of the SCOAP3 Working Party

This Report concerns the implementation of a process today supported by leading actors from the particle physics community, and worked through in detail by members of an international Working Party. The initiative offers an opportunity for the cost-effective dissemination of high-quality research articles in particle physics, enabling use of the new technologies of e-Science across the literature of High Energy physics

Evaluation of presumably disease causing SCN1A variants in a cohort of common epilepsy syndromes

Objective: The SCN1A gene, coding for the voltage-gated Na+ channel alpha subunit NaV1.1, is the clinically most relevant epilepsy gene. With the advent of high-throughput next-generation sequencing, clinical laboratories are generating an ever-increasing catalogue of SCN1A variants. Variants are more likely to be classified as pathogenic if they have already been identified previously in a patient with epilepsy. Here, we critically re-evaluate the pathogenicity of this class of variants in a cohort of patients with common epilepsy syndromes and subsequently ask whether a significant fraction of benign variants have been misclassified as pathogenic. Methods: We screened a discovery cohort of 448 patients with a broad range of common genetic epilepsies and 734 controls for previously reported SCN1A mutations that were assumed to be disease causing. We re-evaluated the evidence for pathogenicity of the identified variants using in silico predictions, segregation, original reports, available functional data and assessment of allele frequencies in healthy individuals as well as in a follow up cohort of 777 patients. Results and Interpretation: We identified 8 known missense mutations, previously reported as path