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This article is cited in 1 scientific paper (total in 1 paper)
Molecular dynamics method for heated metal’s simulation of thermodynamic equilibrium
V. O. Podryga Lomonosov MSU, CMC
Abstract:
In this article we consider the application of molecular dynamics method for a system of aluminium atoms. An original molecular dynamics program, calculating the characteristics of metal using as bases an embedded atom model (EAM) analytical form, is developed. Control of system energy conservation in the process of calculation is ensured by optimizing the value of the time step. The process of establishing the equilibrium distribution of atoms at the required temperature conditions is investigated.
Keywords:
molecular dynamics, EAM, aluminium, temperature, thermostat.
Received: 25.01.2011
Citation:
V. O. Podryga, “Molecular dynamics method for heated metal’s simulation of thermodynamic equilibrium”, Matem. Mod., 23:9 (2011), 105–119
Linking options:
https://www.mathnet.ru/eng/mm3157 https://www.mathnet.ru/eng/mm/v23/i9/p105
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