【摘 要】
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Molecular dynamic analysis was performed on pure and doped (by Re,Ru,Co or W) Ni at 300 K using the embedded-atom-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,an
【机 构】
：
School of Physical Science and Technology,Tangshan Normal University,Tangshan 063000,China
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Molecular dynamic analysis was performed on pure and doped (by Re,Ru,Co or W) Ni at 300 K using the embedded-atom-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,and W,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,and W were 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.
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