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
Pub Type: Journals
antiphase boundaries, computer modeling, interatomic potential, intermetallic compounds, planar faults, pre-wetting