Violation of the Equipartition Theorem for Thermally Insulated Clusters of Atoms with Different Masses

L. A. Openov; A. I. Podlivaev

doi:10.1134/s1063783408060310

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arXiv · 0804.3692

Violation of the Equipartition Theorem for Thermally Insulated Clusters of Atoms with Different Masses

L. A. Openov·A. I. Podlivaev

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Abstract

An expression is derived for calculating microcanonical-ensemble averages of the kinetic energies of atoms of different types in clusters isolated from the environment. This expression is a natural generalization of the solution to the problem of hard spheres with different masses to a system with a many-particle interatomic interaction potential. The dynamics of a C8H8 cubane is simulated numerically. The data on the numerical simulation confirm the validity of the results obtained.

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L. A. Openov, A. I. Podlivaev. 2008-04-23. Violation of the Equipartition Theorem for Thermally Insulated Clusters of Atoms with Different Masses. https://doi.org/10.1134/s1063783408060310

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