A simulation study of rapid solidification and crystal configuration of Cu_(70)Ni_(30) alloy  

作　　者：ZHENG Caixing LIU Rangsu ZHOU Qunyi TIAN Ze'an WANG Xin LI Qiang 

机构地区：[1]Department of Physics, Hunan University, Changsha 410082, China Department of Physics, Hunan University, Changsha 410082, China Department of Physics, Hunan University, Changsha 410082, China Department of Physics, Hunan University, Changsha 410082, China Department of Physics, Hunan University, Changsha 410082, China Department of Physics, Hunan University, Changsha 410082, China

出　　处：《Science China(Physics,Mechanics & Astronomy)》2005年第6期687-694,共8页中国科学：物理学、力学、天文学（英文版）

基　　金：supported by the National Natural Science Foundation of China(Grant No.50271026).

摘　　要：A molecular dynamics (MD) simulation study has been performed for the rapid solidification of Cu70Ni30 adopting the quantum Sutton-Chen many-body potentials. By analyzing the bond-types and the relation of atomic average energy versus temperature, it was demonstrated that as cooling rate being 2 × 1012 K/s, the Cu70Ni30 formed fcc crystal structures and freezing point was found. In addition, having analyzed the transformation of microstructures and the detail of crystal growth by using atomic trace and visual method, not only could the formation of binary disordered solid solution be showed, but also the solidification of liquid metals and the crystal growth processes could be further understood.A molecular dynamics (MD) simulation study has been performed for the rapid solidification of Cu70Ni30 adopting the quantum Sutton-Chen many-body potentials. By analyzing the bond-types and the relation of atomic average energy versus temperature, it was demonstrated that as cooling rate being 2 × 1012 K/s, the Cu70Ni30 formed fcc crystal structures and freezing point was found. In addition, having analyzed the transformation of microstructures and the detail of crystal growth by using atomic trace and visual method, not only could the formation of binary disordered solid solution be showed, but also the solidification of liquid metals and the crystal growth processes could be further understood.

关 键 词：quantum Sutton-Chen potentials  molecular dynamics simulation  Cu70Ni30 alloy  rapid solidification. 

分 类 号：N[自然科学总论]