| 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 |
| Volume: |
43 |
| Issue: |
11 |
| Pages: |
pp. 3873 - 3880 |
| Keywords: |
antiphase boundaries;computer modeling;interatomic potential;intermetallic compounds;planar faults;pre-wetting |
| Research Areas: |
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| PDF version: |
 Click here to retrieve PDF version of paper (447KB) |
