物理学报Issue(5)：336-342,7.DOI:10.7498/aps.62.056803
Cu固液界面能的分子动力学计算
Calculation of crystal-melt interfacial free energy of Cu by molecular dynamics simulation∗
摘要
Abstract
The growing and melting of crystal nuclei in liquid Cu are investigated by molecular dynamics simulation. The critical under-cooling is proportional to the reciprocle of the nanoparticle radius. The Gibbs-Thomson coefficient of Cu is 1.12 × 10−7 K·m. Then the crystal-melt interfacial free energy of Cu is 0.146 J/m2 estimated from the Gibbs-Thomson coefficient, and the Turnbull coefficient of Cu is 0.416. All the values by simulation are consistent with the experimental results of Turnbull.关键词
分子动力学/经典形核理论/固液界面能Key words
molecular dynamics/classical nucleation theory/Gibbs-Thomson effect引用本文复制引用
周化光,林鑫,王猛,黄卫东..Cu固液界面能的分子动力学计算[J].物理学报,2013,(5):336-342,7.基金项目
湖南省教育厅青年项目(批准号:12B136)和中南林业科技大学人才引进计划(批准号:104-0160)资助的课题.Work supported by the Youth Foundation of Hunan Provincial Education Department of China (Grant No.12B136), and the Talent Introducing Plan of Central South University of Forestry and Technology (Grant No.104-0160) （批准号:12B136）
