Viscosity calculations at molecular dynamics simulations

30th International Conference on Interaction of Intense Energy Fluxes with Matter

Kirova, E.M.^1 ; Norman, G.E.^1

Joint Institute for High Temperatures, Russian Academy of Sciences, Izhorskaya 13, Moscow

125412, Russia^1

关键词: Aluminium melts;    Embedded-atom method;    Green-Kubo relations;    Inter-particle interaction;    Interatomic interactions;    Molecular dynamics methods;    Molecular dynamics simulations;    Viscosity calculations;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/653/1/012106/pdf
DOI  :  10.1088/1742-6596/653/1/012106

来源: IOP

【 摘 要 】

Viscosity and diffusion are chosen as an example to demonstrate the universality of diagnostics methods in the molecular dynamics method. To emphasize the universality, three diverse systems are investigated, which differ from each other drastically: liquids with embedded atom method and pairwise interatomic interaction potentials and dusty plasma with a unique multiparametric interparticle interaction potential. Both the Einstein-Helfand and Green-Kubo relations are used. Such a particular process as glass transition is analysed at the simulation of the aluminium melt. The effect of the dust particle charge fluctuation is considered. The results are compared with the experimental data.