| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1501456 | Scripta Materialia | 2008 | 4 Pages |
Abstract
The atomistic modeling of site preference, size effects and segregation behavior of boron additions to RuAl is performed using a quantum approximate method based on first-principles parameterization. The energetics of the site preference behavior are linked to the explanation of the observed size effects. The dependence of the equilibrium lattice parameter and bulk modulus on B concentration is also shown.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
H.O. Mosca, G. Bozzolo, J.E. Garcés,