Abstract

A methodology for finding the bulk modulus using the molecular dynamics method is proposed. The influence of cluster size on the bulk modulus was analyzed. An increase in the bulk modulus with decreasing cluster size starting from a certain critical volume has been found. As a physical system, we considered a spherical cluster of silicon and silicon carbide with a zinc blende structure 3C-SiC.

中文翻译：

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硅和碳化硅本体模量的分子动力学计算

摘要

提出了一种使用分子动力学方法寻找体积模量的方法。分析了簇大小对体积模量的影响。已经发现，从某个临界体积开始，随着模体尺寸的减小，体积模量增加。作为一个物理系统，我们考虑了具有锌混合结构3C-SiC的硅和碳化硅的球形簇。