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The Pre-Wetting Transition at Anti-Phase Boundaries: An Atomistic Modeling Study of Ni(sub 3)Al

Published

Author(s)

Chandler A. Becker, Yuri Mishin, William J. Boettinger

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
Volume
43
Issue
11

Keywords

antiphase boundaries, computer modeling, interatomic potential, intermetallic compounds, planar faults, pre-wetting

Citation

Becker, C. , Mishin, Y. and Boettinger, W. (2008), The Pre-Wetting Transition at Anti-Phase Boundaries: An Atomistic Modeling Study of Ni(sub 3)Al, Journal of Materials Science, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=853507 (Accessed April 17, 2024)
Created June 11, 2008, Updated February 17, 2017