APP  >> Vol. 2 No. 2 (April 2012)

    Formation and Migration Mechanism of the Vacancy in Three Typical Structures Metal

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Lattice Inversion; EAM; Vacancy; Migration Mechanism



The formation and migration mechanisms of the vacancy for FCC, BCC and HCP metal are studied by Chen’s lattice inversion embedded-atom-method (CLI-EAM). The results show that the most stable, divacancy configuration of BCC and HCP metal are the first neighbor divacancy configurations (FNDC) or the second neighbor divacancy configurations (SNDC) while in FCC metal is FNDC. The single vacancy defect migration mechanism of all the metal is first neighbor migration. The divacancy mechanism of FCC metal Ag is FNDC, the divacancy mechanism of BCC metal Mo is FNDC and SNDC conversion, and the divacancy mechanism of HCP metal Sc is the transition between FNDC and SNDC or the initial configuration.

黄烁, 张川晖, 孙婧, 李亚萍, 张振峰, 申江. 三种典型结构金属的空位形成与迁移机制[J]. 应用物理, 2012, 2(2): 50-54.


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