First-principles calculations of the str
β
G. Ghosh; A. van de Walle; M. Asta
π
Article
π
2008
π
Elsevier Science
π
English
β 971 KB
The thermodynamic properties of solid solutions with body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) structures in the Al-TM (TM = Ti, Zr and Hf) systems are calculated from first-principles using cluster expansion (CE), Monte-Carlo simulation and supercell meth