摘要
采用分子动力学方法和量子修正的Sutton-Chen(QSC)多体势,研究了不同冷速下贵金属Au在1700～300K之间的冷却过程,并用径向分布函数、键对分析技术方法对Au在凝固过程中微观结构演变情况,进行了分析研究,结果表明,随着冷速的降低,Au的微观结构从非晶态发展到晶体结构,并且冷速越低,面心立方结构在体系中越占有优势,其结晶的温度也越接近熔点。
The freezing of liquid Au from 1700K to 300K at different cooling rates was studied by using molecular dynamics simulations with the quantum Sutten-Chen many-body force field.In order to distinguishing the structure evolution in cooling process,radial distribution function and pair analysis were employed.The simulation results indicate that at very low temperatures,the structure of Au changes from amorphous to fcc crystal,and the crystallization temperature is close to melting temperature.
出处
《装备制造技术》
2011年第1期30-32,共3页
Equipment Manufacturing Technology
关键词
AU
凝固
分子动力学
Au
freezing
molecular dynamics simulations
