Molecular dynamics simulations of dopant effects on lattice trapping of cracks in Ni matrix  

作　　者：Shulan Liu Huijing Yang 刘淑兰;杨会静(School of Physical Science and Technology,Tangshan Normal University,Tangshan 063000,China)

机构地区：[1]School of Physical Science and Technology,Tangshan Normal University,Tangshan 063000,China

出　　处：《Chinese Physics B》2021年第11期461-466,共6页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China(Grant No.11604237);the Natural Science Foundation of Hebei Province of China(Grant Nos.E2019105073 and E2015105079);the Scientific Research Foundation of Tangshan Normal University of China(Grant Nos.2016A06 and 2020C03);the Department of Education of Guangdong Province,China(Grant No.2019GKTSCX128).

摘　　要：Molecular dynamic analysis was performed on pure and doped(by Re,Ru,Co or W)Ni at 300 K using the embeddedatom-method(EAM)potentials to understand the crack formation of the doped Ni matrix in the(010)[001]orientation.When Ni was doped with Re,Ru,andW,the matrix demonstrated increased lattice trapping limits and,as a result,improved the mechanical properties.Consequently,this prevented the bond breakage at the crack tips and promoted crack healing.The average atomic and surface energy values increased when Re,Ru,andWwere added.Analysis of these energy increase helped us to understand the influence these elements had on the lattice trapping limits.The fracture strength of the Ni matrix at 300 K increased because of the formation of the stronger Ni–Re,Ni–Ru,and Ni–W bonds.At the same time,doping the Ni matrix with Co did not demonstrate any strengthening effects because of the formation of Co–Ni bonds,which are weaker than the Ni–Ni bonds.Out of all dopants tested in this work,Ni doping with W showed the best results.

关 键 词：alloying elements DOPING Ni crack lattice trapping 

分 类 号：O641.1[理学—物理化学]