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We combine two first-principles computer simulation techniques, path integral Monte-Carlo and density functional theory molecular dynamics, to determine the equation of state of magnesium oxide in the regime of warm dense matter, with…
Ultra-high energy cosmic rays can be measured through the detection of radio-frequency radiation from air showers. The radio-frequency emission originates from deflections of the air-shower particles in the geomagnetic field and from a…
Measurements of force generated by a positive unipolar wire-to-plane corona discharge in air are compared with numerical simulations. The generated force does not depend on the ion or electron mobilities, preventing the influence of…
This study investigates the impact of exchange-correlation functional choices on the predictive accuracy of multiscale models for charge transport in organic semiconductors (OSCs). A hybrid functional approach is applied to analyze…
Representations of atomic orbitals based on Monte-Carlo (MC) approaches are not always correct when using various sets of orthogonal coordinates other than Cartesian coordinates. The analysis proposed here gives elements for a proper use of…
The electric microfield distribution at charged particles is studied for two-component electron-ion plasmas using molecular dynamics simulation and theoretical models. The particles are treated within classical statistical mechanics using…
The ion-electron coupling properties for a ion impurity in an electron gas and for a two component plasma are carried out on the basis of a regularized electron-ion potential removing the short-range Coulomb divergence. This work is largely…
Diffusion is a fundamental phenomenon that occurs ubiquitously in nature and remains the subject of continuous research interest. Understanding diffusion is a key to understanding leaving systems. In this Chapter, I discuss diffusion of…
This paper deals with a comparison of Fractional Derivative and Monte carlo approaches to the modelling of anomalous diffusion in the field of particle transport. The goal of this research is to provide a better insight on the behavior of…
We report the existence of an enhanced operating regime for a high-frequency, low-pressure capacitively coupled plasma (CCP) discharge in the presence of a weak magnetic field applied parallel to the electrodes. Our PIC-MCC simulations show…
Usually microscopic electrostatic field around ions is neglected when the ionization energy is concerned. The ionization energy is considered to be equal to that of a separate atom (molecule). Here the energy of the electrostatic field…
One-dimensional particle-in-cell simulation is used to simulate the capacitively coupled argon plasma for a range of driving frequency from 13.56 MHz to 100 MHz. The argon chemistry set can, selectively, include two metastable levels…
The discharge structure of inductively coupled plasma is studied via fluid simulation and analytic theory collaboration. At low pressure, the discharge is stratified by the double layer, which is modelled as dipole moment. The parabolic…
Electromotility of outer hair cells (OHCs) has been extensively studied with in vitro experiments because of its physiological significance in the cochlear amplifier, which provides the exquisite sensitivity and frequency selectivity of the…
We employ a particle-in-cell Monte Carlo collision/particle-particle particle-mesh (PIC-MCC/PPPM) simulation to study the plasma flow around and the charge distribution of a three-dimensional dust cluster in the sheath of a low-pressure rf…
The many-body Monte Carlo method is used to evaluate the frequency dependent conductivity and the average mobility of a system of hopping charges, electronic or ionic on a one-dimensional chain or channel of finite length. Two cases are…
A model recently proposed for the calculation of air-fluorescence yield excited by electrons is revisited. Improved energy distributions of secondary electrons and a more realistic Monte Carlo simulation including some additional processes…
In this experimental study, a flowing dielectric barrier discharge operating at atmospheric pressure is used for the splitting of CO2 into O2 and CO. The influence of the applied frequency and plasma power on the microdischarge properties…
Differential cross sections are computed for the title polar molecule using static interaction, exchange forces and correlation-polarisation effects as described in detail in the main text. The dipole effect is also reported via the dipole…
We have developed and applied a mobility edge model that takes into account drift and diffusion currents to characterize the space charge limited current in organic semiconductors. The numerical solution of the drift-diffusion equation…