个人信息Personal Information
副教授
硕士生导师
性别:女
毕业院校:Regensburg大学
学位:博士
所在单位:化学学院
学科:分析化学
电子邮箱:guohm@dlut.edu.cn
Molecular Dynamics Study on Superheating of Ni at High Heating Rates
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论文类型:会议论文
发表时间:2009-05-21
收录刊物:EI、CPCI-S、SCIE、Scopus
卷号:4
页面范围:284-287
关键字:Molecular dynamics simulations; Melting; Superheating
摘要:Molecular dynamics simulations are employed to study the melting and superheating behaviors of bulk Nickel at high heating rates. Quantum Sutton- Chen many body potential is used for these simulations. Being heated, the superheating and melting behavior are found to be strongly affected by the heating rate, and heating rate induced randomization during non-equilibrium heating processes is found to be the main driving force for phase transformation, and it eliminates the energy barrier for nucleation. Not only Ni crystals but also Ni crystals with defects are studied. And the upper limit of heating rate induced superheating is determined to be around 2050K.