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|Author(s):||Chandler A. Becker; Yuri Mishin; William J. Boettinger;|
|Title:||The Pre-Wetting Transition at Anti-Phase Boundaries: An Atomistic Modeling Study of Ni(sub 3)Al|
|Published:||June 11, 2008|
|Abstract:||Using an embedded-atom model for NiAl alloys, we have examined interfacial properties of the Ni/Ni(sub3)Al system, concentrating on properties of the anti-phase boundaries. These interfaces between gamma prime phases can undergo a pre-wetting transition as the region of the anti-phase boundaries disorder and then transform into a metastable gamma phase. To understand more about this transition, we have performed detailed thermodynamic, compositional, and structural analysis of this system using semi-grand canonical Monte-Carlo simulations, with particular interest on composition profiles and segregation, and we will discuss our studies in the context of previous treatments of these interfaces.|
|Citation:||Journal of Materials Science|
|Pages:||pp. 3873 - 3880|
|Keywords:||antiphase boundaries,computer modeling,interatomic potential,intermetallic compounds,planar faults,pre-wetting|
|PDF version:||Click here to retrieve PDF version of paper (458KB)|