Investigations of alloying Re and Ru in the [110](001) dislocation core of the Ni/Ni(3)Al interface were conducted within the framework of density functional theory. The energetic calculations show that both elements can stabilize the [110](001) dislocation core. In the dislocation core region, Re and Ru prefer to substitute for Ni on the site in the gamma-phase. Re is easier to segregate into the dislocation core region as compared with Ru; it especially prefers to substitute for Ni on the gamma-(Ni)1 site.
部门归属
[wang cong; wang chong-yu] tsinghua univ, dept phys, beijing 100084, peoples r china. [wang chong-yu] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wang, c (reprint author), tsinghua univ, dept phys, beijing 100084, peoples r china;wangcong00@mails.tsinghua.edu.cn
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