绝热不同质量原子团簇的均分定理破坏
Violation of the Equipartition Theorem for Thermally Insulated Clusters of Atoms with Different Masses
摘要:
本文导出了一个计算与环境隔离的团簇中不同类型原子的微正则系综平均动能的表达式。这个表达式是对具有不同质量的硬球问题的解到具有多粒子原子间相互作用势的系统的自然推广。对C_8H_8立方烷的动力学进行了数值模拟。数值模拟的数据证实了所获得的结果的有效性。
英文摘要:
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.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。