Second Nearest-Neighbor Modified Embedded Atom Method Interatomic Potential for Cu-Ni-Sn Ternary System  

作　　者：Jialiang Dong Xuemao Dong Zhongxue Feng Caiju Li Jianhong Yi Jun Tan 

机构地区：[1]School of Materials Science and Engineering,Guizhou Minzu University,Guiyang,550025,China [2]Guangdong Key Laboratory for Advanced Metallic Materials Processing and Forming,National Engineering Research Center of Near-Net-Shape Forming for Metallic Materials,South China University of Technology,Guangzhou,510640,China [3]Faculty of Electronic and Information Engineering,Anshun University,Anshun,561000,China [4]Faculty of Materials Science and Engineering,Kunming University of Science and Technology,Kunming,650093,China [5]College of Materials Science and Engineering,Chongqing University,Chongqing,400044,China

出　　处：《Computers, Materials & Continua》2025年第4期65-77,共13页计算机、材料和连续体(英文)

基　　金：sponsored by the Science and Technology Foundation of Guizhou Provincial Education Department(No.QJJ[2024]60);Guizhou Provincial Basic Research Program(Natural Science)(No.QKHJC[2024]Youth 214);Science and Technology Foundation of Guizhou Minzu University(No.GZMUZK[2024]QD21);Research Projects of Anshun University(No.asxybsjj202413).

摘　　要：To explore atomic-level phenomena in the Cu-Ni-Sn alloy,a second nearest-neighbor modified embedded-atom method(2NN MEAM)potential has been developed for the Cu-Ni-Sn system,building upon the work of other researchers.This potential demonstrates remarkable accuracy in predicting the lattice constant,with a relative error of less than 0.5%when compared to density functional theory(DFT)results,and it achieves a 10%relative error in the enthalpy of formation compared to experimental data,marking substantial advancements over prior models.The bulk modulus is predicted with a relative error of 8%compared to DFT.Notably,the potential effectively simulates the processes of melting and solidification of Cu-15Ni-8Sn,with a simulated melting point that closely aligns with the experimental value,within a 7.5%margin.This serves as a foundation for establishing a 2NN MEAM potential for a flawless Cu-Ni-Sn system and its microalloying systems.

关 键 词：2NN MEAM Cu-Ni-Sn interatomic potential atomistic simulation 

分 类 号：TG146.2[一般工业技术—材料科学与工程]