%0 Journal Article %T Calculation of crystal-melt interfacial free energy of Cu by molecular dynamics simulation
Cu固液界面能的分子动力学计算 %A Zhou Hua-Guang %A Lin Xin %A Wang Meng %A Huang Wei-Dong %A
周化光 %A 林鑫 %A 王猛 %A 黄卫东 %J 物理学报 %D 2013 %I %X The growing and melting of crystal nuclei in liquid Cu are investigated by molecular dynamics simulation. The critical undercooling 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. %K molecular dynamics %K classical nucleation theory %K Gibbs-Thomson effect
分子动力学 %K 经典形核理论 %K 固液界面能 %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=164B9414955546434CB17DC349C27666&yid=FF7AA908D58E97FA&iid=94C357A881DFC066&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=0