Temperature dependence of the pre-wetting transition at anti-phase boundaries in Ni3Al from atomistic modeling

Published

September 8, 2010

Author(s)

Chandler A. Becker, Yuri Mishin

Abstract

Using an embedded-atom potential for Ni-Al alloys, we have examined interfacial properties of anti-phase boundaries (APBs) in the Ni3Al-based gamma phase for a range of temperatures between 700K and 1300K. These interfaces between different ordering domains of the gamma phase can undergo a pre-wetting transition, in which the APB region becomes disordered and then transforms into a thin layer of metastable gamma phase. To better understand the physics of this transition, we have used semi-grand canonical Monte-Carlo simulations at various temperatures to study thermodynamic, compositional, and structural properties of the APBs with particular interest in composition profiles, Ni segregation, and local chemical disorder. We discuss our findings in the context of previous studies of these interfaces and the possible impact of the APB pre-wetting on microstructural evolution and mechanical properties of Ni-Al alloys.

Citation

Physical Review B (Condensed Matter and Materials Physics)

Pub Type

Journals

Citation

Becker, C. and Mishin, Y. (2010), Temperature dependence of the pre-wetting transition at anti-phase boundaries in Ni3Al from atomistic modeling, Physical Review B (Condensed Matter and Materials Physics) (Accessed April 24, 2024)