Modified embedded-atom interatomic potential for Co-W and Al-W systems

作     者：董卫平 陈铮 Byeong-Joo LEE Wei-ping DONG;Zheng CHEN;Byeong-Joo LEE

作者机构：浙江师范大学工学院金华321004 西北工业大学材料学院凝固国家重点实验室西安710072 Department of Materials Science and EngineeringDivision of Advanced Nuclear EngineeringPohang University of Science and Technology(POSTECH)Pohang 790-784Korea 

出 版 物：《Transactions of Nonferrous Metals Society of China》 (中国有色金属学报（英文版）)

年 卷 期：2015年第25卷第3期

页      面：907-914页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 0702[理学-物理学] 

基　　金：Project(51274167)supported by the National Natural Science Foundation of China Project(LQ14E010002)supported by the Zhejiang Provincial Natural Science Foundation of China Project(2E24692)supported by the KIST Institutional Programs,Korea 

主　　题：modified embedded-atom method Co-W system Al-W system atomistic simulation 

摘      要：A semi-empirical interatomic potential formalism,the second-nearest-neighbor modified embedded-atom method(2NN MEAM),has been applied to obtaining interatomic potentials for the Co-W and Al-W binary system using previously developed MEAM potentials of Co,Al and *** potential parameters were determined by fitting the experimental data on the enthalpy of formation,lattice parameter,melting point and elastic *** present potentials generally reproduce the fundamental physical properties of the Co-W and Al-W systems *** lattice parameters,the enthalpy of formation,the thermal stability and the elastic constants match well with experiment and the first-principles *** enthalpy of mixing and the enthalpy of formation and mixing of liquid are in good agreement with CALPHAD *** potentials can be easily combined with already-developed MEAM potentials for binary cobalt systems and can be used to describe Co-Al-W-based multicomponent alloys,especially for interfacial properties.