Molecular dynamics of adiabatic expansion

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A method for computer simulation of the process of adiabatic expansion of molecular systems is proposed. Using this method, we have calculated the adiabatic compressibility.

Molecular dynamics, numerical integration, adiabatic expansion, adiabatic compressibility

Короткий адрес: https://sciup.org/14835210

IDR: 14835210   |   DOI: 10.18101/2304-5728-2017-1-66-71

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