相关论文: Kinetic modelling and molecular dynamics simulatio…

A largely unsolved theoretical issue in controlled fusion research is the consistent \textit{kinetic} treatment of slowly-time varying plasma states occurring in collisionless and magnetized axisymmetric plasmas. The phenomenology may…

We compare two distincts models of evaporative cooling of a magnetically guided atomic beam: a continuous one, consisting in approximating the atomic distribution function by a truncated equilibrium distribution, and a discrete-step one, in…

Multi-particle collision dynamics is an appealing numerical technique aiming at simulating fluids at the mesoscopic scale. It considers molecular details in a coarse-grained fashion and reproduces hydrodynamic phenomena. Here, the…

The asymmetrically mounted flat plasma actuator is studied using a self-consistent 2-DIM fluid model at atmospheric pressure. The computational model use the drift-diffusion approximation and a simple plasma phenomenological kinetic model.…

Sympathetic cooling is the process of energy exchange between a system and a colder bath. We investigate this fundamental process in an atom-ion experiment where the system is composed of a single ion, trapped in a radio-frequency Paul…

Molecular Dynamics simulations are becoming a powerful tool for examining and predicting atomic and molecular processes in various environment. The present review shows how, in the fields of plasma physics, chemistry and interactions with…

Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained models is extremely challenging due to the need to solve the Poisson equation at every simulation timestep. Recently, a molecular dynamics (MD) method…

To analyze nonidealities inherent to degenerate plasma, a quantum collective approach is developed. Thermodynamic functions of a system of partially degenerate electrons and strongly coupled ions are derived from first principles. The model…

The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is characterized by widely disparate time scales. As a result,…

The charge exchange between the interstellar medium (ISM) and the solar wind plasma is crucial for determining the structures of the heliosphere. Since both the neutral-ion and neutral-neutral collision mean free paths are either comparable…

The nonlinear evolution of collisionless plasmas is typically a multi-scale process where the energy is injected at large, fluid scales and dissipated at small, kinetic scales. Accurately modelling the global evolution requires to take into…

We analyse the correlated back and forth dynamics and dynamic heterogeneities, i.e. the presence of fast and slow ions, for a lithium metasilicate system via computer simulations. For this purpose we define, in analogy to previous work in…

Using kinetic theory, we analyze the interplay of elastic and inelastic collisions in the thermalization of the quark-gluon plasma. The main focus is the dynamics and equilibration of long wavelength modes.

A simple one-dimensional gas-piston kinetic model gives the interaction potential between two colliding heavy ions. In the frame of the classical, thermodynamical approach, the colliding heavy ions are not submitted to friction, but…

We simulate the dynamics, including laser cooling, of 3D ion crystals confined in a Penning trap using a newly developed molecular dynamics-like code. The numerical integration of the ions' equations of motion is accelerated using the fast…

We review a molecular dynamics method for nucleon many-body systems called the quantum molecular dynamics (QMD) and our studies using this method. These studies address the structure and the dynamics of nuclear matter relevant to the…

A dynamic mode decomposition (DMD) based reduced-order model (ROM) is developed for tracking, detection, and prediction of kinetic plasma behavior. DMD is applied to the high-fidelity kinetic plasma model based on the electromagnetic…

Recent experiments have demonstrated the spontaneous evolution of a gas of ultracold Rydberg atoms into an expanding ultracold plasma, as well as the reverse process of plasma recombination into highly excited atomic states. Treating the…

Hybrid molecular dynamics/Monte Carlo simulations used to study melts of unentangled, thermoreversibly associating supramolecular polymers. In this first of a series of papers, we describe and validate a model that is effective in…

Background: Many attempts have been made to resolve in time the folding of model proteins in computer simulations. Different computational approaches have emerged. Some of these approaches suffer from the insensitivity to the geometrical…