郭慧敏

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

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论文成果

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Melting of bulk gold during continuous heating: A molecular dynamics study

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论文类型:会议论文

发表时间:2010-06-04

收录刊物:EI、Scopus

卷号:4

页面范围:121-124

摘要:Molecular dynamics simulations with Quantum Sutton- Chen many body potential are employed to study the melting behaviors of bulk gold at different heating rates within NPT ensemble. Not only gold crystals but also gold crystals with defects are studied. Results indicate that the superheating and melting behaviors of bulk gold are strongly affected by the heating rate. Heating rate enhanced diffusion is observed and analyzed. The randomization induced by heating rate enhanced diffusion should be the main driving force to eliminate the energy barrier for phase transition to occur. And the upper limit of superheating during continuous heating should be the temperature at which the energy rise resulting from the heating rate enhanced diffusion equals the energy barrier for phase transition to take place. ? 2010 IEEE.