arXiv subjects

E. Khosravi

Publications and source records attributed to E. Khosravi.

9 recordsLinked to original sources

arXiv2020

Gamma Ray Flashes Produced by Lightning Observed at Ground Level by TETRA-II

In its first 2 years of operation, the ground-based Terrestrial gamma ray flash and Energetic Thunderstorm Rooftop Array(TETRA)-II array of gamma ray detectors has recorded 22 bursts of gamma rays of millisecond-scale duration associated with lightning. In this study, we present the TETRA-II observations detected at the three TETRA-II ground-level sites in Louisiana, Puerto Rico, and Panama together with the simultaneous radio frequency signals from the VAISALA Global Lightning Data set, VAISALA National Lightning Detection Network, Earth Networks Total Lightning Network, and World Wide Lightning Location Network. The relative timing between the gamma ray events and the lightning activity is a key parameter for understanding the production mechanism(s) of the bursts. The gamma ray time profiles and their correlation with radio sferics suggest that the gamma ray events are initiated by lightning leader activity and are produced near the last stage of lightning leader channel development prior to the lightning return stroke.

physics.ao-ph↗

arXiv2016

Electronic Non-adiabatic Dynamics in Enhanced Ionization of Isotopologues of H$_2^+$ from the Exact Factorization Perspective

It was recently shown that the exact potential driving the electron's dynamics in enhanced ionization of H$_2^+$ can have large contributions arising from dynamical electron-nuclear correlation, going beyond what any electrostatics-based model can provide[1]. This potential is defined via the exact factorization of the molecular wavefunction that allows the construction of a Schrödinger equation for the electronic system, in which the potential contains exactly the effect of coupling to the nuclear system and any external fields. Here we study enhanced ionization in isotopologues of H$_2^+$ in order to investigate nuclear-mass-dependence of these terms for this process. We decompose the exact potential into components that naturally arise from the conditional wavefunction, and also into components arising from the marginal electronic wavefunction, and compare the performance of propagation on these different components as well as approximate potentials based on the quasi-static or Hartree approximation with the exact propagation. A quasiclassical analysis is presented to help analyse the structure of different non-electrostatic components to the potential driving the ionizing electron.

physics.atm-clus↗

arXiv2016

Hydrolytic degradation of ROMP thermosetting materials catalysed by bio-derived acids and enzyme: from network to linear materials

This paper reports the first example of the degradable ROMP thermosetting materials catalysed by bio-derived acids and cutinase from Thermobifida cellulosilytica (Thc_Cut1). The ROMP thermosetting materials are based on norbornene dicarboximides containing acetal ester groups only in the crosslink moiety. The insoluble cross-linked materials were subjected to acid-catalysed hydrolysis using bio-derived acetic and citric acids as well as enzymatic degradation using Thc_Cut1, resulting in the materials becoming completely soluble in dichloromethane. 1H NMR and rheological analysis performed on materials after acid-catalysed hydrolysis showed characteristics indistinguishable to that of the linear polymer analogues. These analyses confirmed the cleavage of the crosslink moiety upon degradation with the main backbone chains remaining intact. The glass transition temperatures of the polymer materials after acid-catalysed hydrolysis were the same of those observed for the linear polymer analogue. TGA showed that the cross-linked polymers thermally stable to 150 °C, beyond which showed weight losses due to the thermal cleavage of the acetal ester linkages.

cond-mat.mtrl-sci↗

arXiv2011

Correlation effects in bistability at the nanoscale: steady state and beyond

The possibility of finding multistability in the density and current of an interacting nanoscale junction coupled to semi-infinite leads is studied at various levels of approximation. The system is driven out of equilibrium by an external bias and the non-equilibrium properties are determined by real-time propagation using both time-dependent density functional theory (TDDFT) and many-body perturbation theory (MBPT). In TDDFT the exchange-correlation effects are described within a recently proposed adiabatic local density approximation (ALDA). In MBPT the electron-electron interaction is incorporated in a many-body self-energy which is then approximated at the Hartree-Fock (HF), second-Born (2B) and GW level. Assuming the existence of a steady-state and solving directly the steady-state equations we find multiple solutions in the HF approximation and within the ALDA. In these cases we investigate if and how these solutions can be reached through time evolution and how to reversibly switch between them. We further show that for the same cases the inclusion of dynamical correlation effects suppresses bistability.

cond-mat.mes-hall↗

arXiv2011

Comparative study of many-body perturbation theory and time-dependent density functional theory in the out-of-equilibrium Anderson model

We study time-dependent electron transport through an Anderson model. The electronic interactions on the impurity site are included via the self-energy approximations at Hartree-Fock (HF), second Born (2B), GW, and T-Matrix level as well as within a time-dependent density functional (TDDFT) scheme based on the adiabatic Bethe-Ansatz local density approximation (ABALDA) for the exchange correlation potential. The Anderson model is driven out of equilibrium by applying a bias to the leads and its nonequilibrium dynamics is determined by real-time propagation. The time-dependent currents and densities are compared to benchmark results obtained with the time-dependent density matrix renormalization group (tDMRG) method. Many-body perturbation theory beyond HF gives results in close agreement with tDMRG especially within the 2B approximation. We find that the TDDFT approach with the ABALDA approximation produces accurate results for the densities on the impurity site but overestimates the currents. This problem is found to have its origin in an overestimation of the lead densities which indicates that the exchange correlation potential must attain nonzero values in the leads.

cond-mat.mes-hall↗

arXiv2011

Real-time switching between multiple steady-states in quantum transport

We study transport through an interacting model system consisting of a central correlated site coupled to finite bandwidth tight-binding leads, which are considered as effectively noninteracting. Its nonequilibrium properties are determined by real-time propagation of the Kadanoff-Baym equations after applying a bias voltage to the system. The electronic interactions on the central site are incorporated by means of self-energy approximations at Hartree-Fock, second Born and GW level. We investigate the conditions under which multiple steady-state solutions occur within different self-energy approximations, and analyze in detail the nature of these states from an analysis of their spectral functions. At the Hartree-Fock level at least two stable steady-state solutions with different densities and currents can be found. By applying a gate voltage-pulse at a given time we are able to switch between these solutions. With the same parameters we find only one steady-state solution when the self-consistent second Born and GW approximations are considered. We therefore conclude that treatment of many-body interactions beyond mean-field can destroy bistability and lead to qualitatively different results as compared those at mean-field level.

cond-mat.mes-hall↗

arXiv2010

Dynamical Coulomb Blockade and the Derivative Discontinuity of Time-Dependent Density Functional Theory

The role of the discontinuity of the exchange-correlation potential of density functional theory is studied in the context of electron transport and shown to be intimately related to Coulomb blockade. By following the time evolution of an interacting nanojunction attached to biased leads, we find that, instead of evolving to a steady state, the system reaches a dynamical state characterized by correlation-induced current oscillations. Our results establish a dynamical picture of Coulomb blockade manifesting itself as a periodic sequence of charging and discharging of the nanostructure.

cond-mat.mes-hall↗

arXiv2008

Bound States in Time-Dependent Quantum Transport: Oscillations and Memory Effects in Current and Density

The presence of bound states in a nanoscale electronic system attached to two biased, macroscopic electrodes is shown to give rise to persistent, non-decaying, localized current oscillations which can be much larger than the steady part of the current. The amplitude of these oscillations depends on the entire history of the applied potential. The bound-state contribution to the {\em static} density is history-dependent as well. Moreover, the time-dependent formulation leads to a natural definition of the bound-state occupations out of equilibrium.

cond-mat.mes-hall↗

arXiv2008

The Role of Bound States in Time-Dependent Quantum Transport

Charge transport through a nanoscale junction coupled to two macroscopic electrodes is investigated for the situation when bound states are present. We provide numerical evidence that bound states give rise to persistent, non-decaying current oscillations in the junction. We also show that the amplitude of these oscillations can exhibit a strong dependence on the history of the applied potential as well as on the initial equilibrium configuration. Our simulations allow for a quantitative investigation of several transient features. We also discuss the existence of different time-scales and address their microscopic origin.

cond-mat.mes-hall↗