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Molecular Dynamic Calculation of the Bulk Modulus for Silicon and Silicon Carbide
Doklady Physics ( IF 0.6 ) Pub Date : 2020-08-18 , DOI: 10.1134/s1028335820050122 A. V. Utkin , V. M. Fomin
中文翻译:
硅和碳化硅本体模量的分子动力学计算
更新日期:2020-08-18
Doklady Physics ( IF 0.6 ) Pub Date : 2020-08-18 , DOI: 10.1134/s1028335820050122 A. V. Utkin , V. M. Fomin
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:
硅和碳化硅本体模量的分子动力学计算