原子与分子物理学报Issue(5)：838-843,6.DOI:10.3969/j.issn.1000-0364.2014.05.027
两种势下硅锗合金熔体快速凝固过程的分子动力学模拟
A comparative study of different potentials for molecular dynamics simulations ofrapid solidification process of SiGe alloy melt
摘要
Abstract
Molecular dynamic simulations of rapid solidification process of SiGe alloy melt are carried out .The atomic interactions in SiGe alloy are calculated by using Stillinger -Weber (S -W) potential and Tersoff potential respectively .According to the investigations of structural characterization methods with the Genernal rules of density and volume changes during the solidification of SiGe alloy .It is found that Tersoff potential is more appropriate to describe the rapid quenching process of SiGe alloy melt com-pared with S -W potential .关键词
硅锗合金熔体/微观结构/快速凝固/Tersoff势/S-W势Key words
SiGe Alloy melt/Microstructure/Molecular dynamic/Tersoff potential/S -W potential分类
数理科学引用本文复制引用
郭笑天,闫万珺,高廷红,谢卓成,谢泉..两种势下硅锗合金熔体快速凝固过程的分子动力学模拟[J].原子与分子物理学报,2014,(5):838-843,6.基金项目
国家自然科学基金（60766002）；贵州省科技厅国际合作项目（黔科合外 G 字［2012］7004）；贵州省科学技术厅、安顺市人民政府、安顺学院联合科技基金资金（黔科合J字L K A （2012）14号） （）
