Related papers: Real-time dynamics of Auger wavepackets and decays…
Reactive transport in saturated/unsaturated porous media is numerically upscaled to the space-time scale of a hypothetical measurement through coarse-grained space-time (CGST) averages. The reactive transport is modeled at the fine-grained…
Femtosecond extreme ultraviolet wave packet interferometry (XUV-WPI) was applied to study resonant inter-atomic Coulombic decay (ICD) in the HeNe dimer. The high demands on phase stability and sensitivity for vibronic XUV-WPI of…
We consider a simple model for the geminate electron-hole separation process in organic photovoltaic cells, in order to illustrate the influence of dimensionality of conducting channels on the efficiency of the process. The Miller-Abrahams…
The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial…
Electron motion on the (sub-)femtosecond time scale constitutes the fastest response in many natural phenomena such as light-induced phase transitions and chemical reactions. Whereas static electron densities in single molecules can be…
The theory of Nonequilibrium Green functions (NEGF) has seen a rapid development over the recent three decades. Applications include diverse correlated many-body systems in and out of equilibrium. Very good agreement with experiments and…
The non-equilibrium Green's function (NEGF) approach offers a practical framework for simulating various phenomena in mesoscopic systems. As the dimension of electronic devices shrinks to just a few nanometers, the need for new…
Causality implies that by measuring an absorption spectrum, the time-dependent linear response function can be retrieved. Recent experiments suggest a link between the shape of spectral lines observed in absorption spectroscopy with the…
New experimental techniques based on non-linear ultrafast spectroscopies have been developed over the last few years, and have been demonstrated to provide powerful probes of quantum dynamics in different types of molecular aggregates,…
This study presents a coarse-grained molecular dynamics simulation model to investigate the process of oxidative aging in polymers. The chemical aging effect is attributed to the auto-oxidation mechanism, which is initiated by radicals,…
Future ultrafast x-ray light sources might image ultrafast coherent electron motion in real-space and in real-time. For a rigorous understanding of such an imaging experiment, we extend the theory of non-resonant x-ray scattering to the…
Ultrasound imaging makes use of backscattering of waves during their interaction with scatterers present in biological tissues. Simulation of synthetic ultrasound images is a challenging problem on account of inability to accurately model…
In a semiconductor heterostructure with type II energy band alignment, the spatial separation between electrons and holes slows down their radiative recombination. With increasing excitation intensity, Auger recombination quickly becomes…
Optical computing has emerged as a promising candidate for real-time and parallel continuous data processing. Motivated by recent progresses in metamaterial-based analog computing [Science 343, 160 (2014)], we theoretically investigate…
Compared to ground state electronic structure optimizations, accurate simulations of molecular real-time electron dynamics are usually much more difficult to perform. To simulate electron dynamics, the time-dependent density matrix…
We derive an exact expression for the Green's functions in the time domain of the reversible diffusion-influenced ABCD reaction $A+B\leftrightarrow C+D$ in two space dimensions. Furthermore, we calculate the corresponding survival and…
The long time effect of nonlinear perturbation to oscillatory linear systems can be characterized by the averaging method, and we consider first-order averaging for its simplest applicability to high-dimensional problems. Instead of the…
A model is developed describing the energy distribution of quasi-particles in a quasi-one dimensional, normal metal wire, where the transport is diffusive, connected between equilibrium reservoirs. When an ac bias is applied to the wire by…
In this work, we present a mathematical model of the initiation and progression of a low-grade urinary bladder carcinoma. We simulate the crucial processes involved in tumor growth, such as oxygen diffusion, carcinogen penetration, and…
The origin of the observed time lags, in nearby active galactic nuclei (AGN), between hard and soft X-ray photons is investigated using new XMM-Newton data for the narrow-line Seyfert I galaxy Ark 564 and existing data for 1H0707-495 and…