Violation of the Equipartition Theorem for Thermally Insulated Clusters of Atoms with Different Masses
arXiv:0804.3692 · doi:10.1134/S1063783408060310
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.
15 pages, 2 figures