Molecular dynamics with atomic transitions and nuclear reactions

24th IUPAP Conference on Computational Physics

物理学;计算机科学

More, Richard^1 ; Wang, Feilu^2

Lawrence Berkeley National Laboratory, Berkeley, CA, United States^1

National Astronomical Observatory, Chinese Academy of Sciences, Beijing, China^2

关键词: Atomic-scale description;    Atomic-scale simulations;    Computer experiment;    Hydrodynamic simulation;    Internal structure;    Laboratory equipments;    Particle simulations;    Typical application;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/454/1/012027/pdf
DOI  :  10.1088/1742-6596/454/1/012027

学科分类：计算机科学（综合）

来源: IOP

【 摘 要 】

We describe molecular dynamics particle simulations with particles that have internal structure and/or undergo reactions. These calculations give an atomic-scale description of hot plasma based on well-established microphysics and test kinetic theories used to calculate energy exchange and transport in plasma hydrodynamic simulations. The computer experiments can be given detailed diagnostics, without the usual limits of resolution of Laboratory equipment. Typical applications are non-equilibrium atomic kinetics for emission or absorption of X-ray laser radiation by solid targets and/or atomic-scale simulation of hot plasma with fusion reactions, as in inertial fusion ignition experiments.