First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al-TM (TM = Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods

G. Ghosh*, A. van de Walle, M. Asta

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

108 Scopus citations

Fingerprint Dive into the research topics of 'First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al-TM (TM = Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods'. Together they form a unique fingerprint.

Chemical Compounds

Engineering & Materials Science