Related papers: Particle-based modeling of oxygen discharges
We present a Monte Carlo model for degradation of 1-10,000 eV electrons in an atmosphere of methane. The electron impact cross sections for CH4 are compiled and analytical representations of these cross sections are used as input to the…
The Diffusion Monte Carlo method is devoted to the computation of electronic ground-state energies of molecules. In this paper, we focus on implementations of this method which consist in exploring the configuration space with a {\bf fixed}…
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…
Direct sampling of multi-dimensional systems with quantum Monte Carlo methods allows exact account of many-body effects or particle correlations. The most straightforward approach to solve the Schr\"odinger equation, Diffusion Monte Carlo,…
A charged particle in a magnetic field possesses discrete energy levels associated with particle rotation around the field lines. A bound complex of particles with a nonzero net charge possesses an analogous levels associated with its…
Droplet nucleation and evaporation are ubiquitous in nature and many technological applications, such as phase-change cooling and boiling heat transfer. So far, the description of these phenomena at the molecular scale has posed challenges…
A simple analytical model of the barrier discharge in a long gap between opposing plane electrodes is developed. It is shown that the plasma density becomes uniform over large part of the gap in the course of the discharge development, so…
We consider several multiscale-in-time kinetic Monte Carlo models, in which some variables evolve on a fast time scale, while the others evolve on a slow time scale. In the first two models we consider, a particle evolves in a…
The off-resonant hyperpolarizability is calculated using the dipole-free sum-over-stats expression from a randomly chosen set of energies and transition dipole moments that are forced to be consistent with the sum rules. The process is…
We introduce the Quantization Monte Carlo method to solve thermal radiative transport equations with possibly several collision regimes, ranging from few collisions to massive number of collisions per time unit. For each particle in a given…
Fixed-node diffusion Monte Carlo (FNDMC) is a stochastic quantum many-body method that has a great potential in electronic structure theory. We examine how FNDMC satisfies exact constraints, linearity and derivative discontinuity of total…
Phase Resolved Optical Emission Spectroscopy (PROES) measurements combined with 1d3v Particle-in-Cell/Monte Carlo Collision (PIC/MCC) simulations are performed to investigate the excitation dynamics in low-pressure capacitively coupled…
The ground-state properties of two-component repulsive Fermi gases in two dimensions are investigated by means of fixed-node diffusion Monte Carlo simulations. The energy per particle is determined as a function of the intercomponent…
Recent measurements of electron escape from a non-equilibrium charged quantum dot are interpreted within a 2D separable model. The confining potential is derived from 3D self-consistent Poisson-Thomas-Fermi calculations. It is found that…
The plasma parameters such as electron distribution function and electron density of three atmospheric-pressure transient discharges namely filamentary and homogeneous dielectric barrier discharges in air, and the spark discharge of argon…
The electron kinetics in moving and standing striations in direct current and radio-frequency discharges is studied. The discharge current is such that the thermalizing electron-electron collisions are negligible and the hydrodynamic…
A volume-averaged global model is developed to investigate surface-wave discharges inside either cylindrical or coaxial structures. The neutral and ion wall flux is self-consistently estimated based on a simplified analytical description…
We discuss electronic properties and their evolution for the linear chain of $H_2$ molecules in the presence of a uniform external force $f$ acting along the chain. The system is described by an extended Hubbard model within a fully…
Employing a classical density-functional description of liquid environments, we introduce a rigorous method for the diffusion quantum Monte Carlo calculation of free energies and thermodynamic averages of solvated systems that requires…
A new combined PIC-MCC approach is developed for accurate and fast simulation of a radio frequency discharge at low gas pressure and high density of plasma. Test calculations of transition between different modes of electron heating in a…