Molecular dynamics simulation of relaxation and local structure change of a molten Cu135 cluster during rapidly quenching
Relaxation and local structure changes of a molten Cu135 cluster have been studied by molecular dynamics simulation using embedded atom method when the cluster is rapidly quenched to 700K,600K,500K,400K,300K,200K,and 100K.With decreasing quenching temperature,details of energy evolvement and relaxation are analyzed.The simulation results show that the final structures are molten at 700K,like-icosahedral geometry at 600K-200K,non-crystal at 100K.The average energy of atoms is the lowest at 500K,and in the relaxation has abrupt increase at 25,135 and 42ps separately at 400K,300K,and 200K.The simulation reveals that the quenching temperature has great affect on the relaxation processes of the Cu135 cluster after β relaxation region.
nanocluster structure change rapidly quenching MD simulation
S.N.Xu N.He L.Zhang
School of Science Shenyang Ligong University Shenyang 110159 Peoples Republic China China Medical University Shenyang 110003 Peoples Republic China College of Science Northeastern University Shenyang 110004 Peoples Republic China
国际会议
大理
英文
908-913
2011-08-18（万方平台首次上网日期，不代表论文的发表时间）