Antisite-assisted diffusion in the L12 ordered structure studied by Monte Carlo simulations

被引：15

作者：

Athènes, M ^{[1
]}

Bellon, P

机构：

[1] CEA Saclay, Rech Met Phys Sect, F-91191 Gif Sur Yvette, France

[2] Univ Illinois, Dept Mat Sci & Engn, Urbana, IL 61801 USA

来源：

PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES | 1999年 / 79卷 / 09期

关键词：

D O I：

10.1080/01418619908210420

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Diffusion in the Ll(2) structure is investigated by means of atomistic kinetic Monte Carlo simulations on a rigid lattice. Special attention is devoted to the influence of the composition on the diffusion process in a binary alloy. We observe that two diffusion mechanisms resulting from the interactions of vacancies with antisites located on both sublattices allow for the displacement of the minority element and can enhance the diffusivity of the majority element. The respective contributions to the diffusion process of these two mechanisms strongly depend on the temperature and on the degree of departure from the stoichiometric composition. These two mechanisms can explain the minimum nickel diffusivity experimentally observed around the stoichiometic composition in Ni3Al compounds and the suspected lower activation energy for gallium than for nickel in Ni3Ga.

引用

页码：2243 / 2257

页数：15

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