Temperature dependence of the pre-wetting transition at the (111) anti-phase boundary in Ni3Al: an atomistic study

被引：1

作者：

Becker, C. A. ^{[1
]}

Mishin, Y. ^{[2
]}

机构：

[1] Natl Inst Stand & Technol, Mat Sci & Engn Lab, Div Met, Gaithersburg, MD 20899 USA

[2] George Mason Univ, Dept Phys & Astron, MSN 3F3, Fairfax, VA 22030 USA

来源：

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING | 2010年 / 18卷 / 07期

关键词：

SOLID-SOLUTION; FCC ALLOYS; PHASE; SEGREGATION; BEHAVIOR; SYSTEM; ORDER; MODEL;

D O I：

10.1088/0965-0393/18/7/074004

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Chemical composition and ordering at the (1 1 1) anti-phase boundary (APB) in the Ni3Al-based gamma' phase have been studied by semi-grand canonical Monte Carlo simulations at temperatures from 700 to 1300 K. The atomic interactions are modeled with an embedded-atom potential reproducing the relevant part of the Ni-Al phase diagram. In a certain range of bulk compositions and temperatures within the gamma' phase stability domain, the APB undergoes a pre-wetting transformation by becoming a layer of disordered gamma phase. The pre-wetting transformation line is mapped onto the bulk phase diagram allowing predictions of the APB state under various thermochemical conditions.

引用

页数：11

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