Related papers: Numerical thermalization in 2D PIC simulations: Pr…
We present the derivation of kinetic formulas modeling the microscopic interaction of a charged particle withing a molecular gas under effect of thermal motion. Both elastic and inelastic processes are taken in account. The results were…
A combination of reaction-diffusion models with moving-boundary problems yields a system in which the diffusion (spreading and penetration) and reaction (transformation) evolve the system's state and geometry over time. These systems can be…
Cryogenic buffer gas cells have been a workhorse for the cooling of molecules in the last decades. The straightforward sympathetic cooling principle makes them applicable to a huge variety of different species. Notwithstanding this success,…
We investigate through extensive molecular dynamics simulations the fragmentation process of two-dimensional Lennard-Jones systems. After thermalization, the fragmentation is initiated by a sudden increment to the radial component of the…
Kinetic Particle In Cell (PIC) methods can extend greatly their range of applicability if implicit time differencing and spatial adaption are used to address the wide range of time and length scales typical of plasmas. For implicit…
With the popularity of electric vehicles, the demand for lithium-ion batteries is increasing. Temperature significantly influences the performance and safety of batteries. Battery thermal management systems can effectively control the…
Wetting is fundamental to many technological applications that involve the motion of the fluid-fluid interface on a solid. While static wetting is well understood in the context of thermodynamic equilibrium, dynamic wetting is more…
The electrocaloric effect refers to the temperature change in a material when an electric field is applied or removed. Significant breakthroughs revealed its potential for solid-state cooling technologies in past decades. These devices…
The Weibel instability is investigated with PIC simulations of an initially unmagnetized and spatially uniform electron plasma. This instability, which is driven by the thermally anisotropic electron distribution, generates electromagnetic…
New results obtained for thermal conduction in 2D Yukawa systems. The results of numerical study of heat transfer processes for quasi equilibrium systems with parameters close to conditions in laboratory experiments with dusty plasma are…
Two charge- and current neutral plasma beams are modelled with a one-dimensional PIC simulation. The beams are uniform and unbounded. The relative speed between both beams is 0.4c. One beam is composed of electrons and protons and one out…
We perform first-principles path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of LiF. Our simulations cover a wide density-temperature range of…
Path-integral molecular dynamics (PIMD) simulations are crucial for accurately capturing nuclear quantum effects in materials. However, their computational intensity and reliance on multiple software packages often limit their applicability…
This study investigates the impact of molecular thermal fluctuations on compressible decaying isotropic turbulence using the unified stochastic particle (USP) method, encompassing both two-dimensional (2D) and three-dimensional (3D)…
In this paper, the results of an international collaborative test case relative to the production of a Direct Numerical Simulation and Lagrangian Particle Tracking database for turbulent particle dispersion in channel flow at low Reynolds…
In this paper, we present a 2D numerical model developed to simulate the dynamics of soft, deformable particles. To accommodate significant particle deformations, the particle surface is represented as a narrow shell composed of mass points…
Many seemingly different macroscopic systems (magnets, ferroelectrics, CDW, vortices,..) can be described as generic disordered elastic systems. Understanding their static and dynamics thus poses challenging problems both from the point of…
Large-amplitude electrostatic fluctuations are routinely observed by spacecraft upon traversal of collisionless shocks in the heliosphere. Kinetic simulations of shocks have struggled to reproduce the amplitude of such fluctuations,…
This study presents the numerical models used for the simulation of the large viscoplastic deformations that aluminium undergoes during the extrusion process in order to obtain industrial profiles. This study also gives examples of results…
For complex molecules, nuclear degrees of freedom can act as an environment for the electronic `system' variables, allowing the theory and concepts of open quantum systems to be applied. However, when molecular system-environment…