Sintering reaction and microstructure of MAl(M=Ni,Fe,and Mg)nanoparticles through molecular dynamics simulation  

作　　者：Yuwen Zhang Yonghe Deng Qingfeng Zeng Dadong Wen Heping Zhao Ming Gao Xiongying Dai Anru Wu 张宇文;邓永和;曾庆丰;文大东;赵鹤平;高明;戴雄英;吴安如(College of Physics,Mechanical and Electrical Engineering,Jishou University,Jishou 416000,China;School of Computational Science and Electronics,Hunan Institute of Engineering,Xiangtan 411104,China;School of Physics,Guizhou University,Guiyang 550025,China;Hunan Provincial Key Laboratory of Vehicle Power and Transmission Systems,Hunan Institute of Engineering,Xiangtan 411104,China)

机构地区：[1]College of Physics,Mechanical and Electrical Engineering,Jishou University,Jishou 416000,China [2]School of Computational Science and Electronics,Hunan Institute of Engineering,Xiangtan 411104,China [3]School of Physics,Guizhou University,Guiyang 550025,China [4]Hunan Provincial Key Laboratory of Vehicle Power and Transmission Systems,Hunan Institute of Engineering,Xiangtan 411104,China

出　　处：《Chinese Physics B》2020年第11期439-445,共7页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China(Grant Nos.11572124 and 51871096);the Natural Science Foundation of Hunan Province of China(Grant Nos.2018JJ4044 and 2018JJ3100).

摘　　要：The sintering-alloying processes of nickel(Ni),iron(Fe),and magnesium(Mg) with aluminum(Al) nanoparticles were studied by molecular dynamics simulation with the analytic embedded-atom model(AEAM) potential.Potential energy,mean heterogeneous coordination number NAB,and surface atomic number Nsurf-A were used to monitor the sintering-reaction processes.The effects of surface segregation,heat of formation,and melting point on the sinteringalloying processes were discussed.Results revealed that sintering proceeded in two stages.First,atoms with low surface energy diffused onto the surface of atoms with high surface energy;second,metal atoms diffused with one another with increased system temperature to a threshold value.Under the same initial conditions,the sintering reaction rate of the three systems increased in the order MgAl <FeAl <NiAl.Depending on the initial reaction temperature,the final core-shell(FeAl and MgAl) and alloyed(NiAl and FeAl) nanoconfigurations can be observed.

关 键 词：molecular dynamics AEAM potential core-shell structure SINTERING NANOPARTICLES 

分 类 号：TF046.4[冶金工程—冶金物理化学]