First-principles phase stability calculations of pseudobinary alloys of (Al,Zn) 3Ti with L1 2, D0 22, and D0 23 structures

Journal of Phase Equilibria and Diffusion

Volumn 28, Issue 1, 2007, Pages 9-22

  Ghosh, Gautam ^a   Van De Walle, Axel ^b   Asta, Mark ^c  

^a Northwestern University   (United States)

^b California Institute of Technology   (United States)

^c University of California Davis   (United States)

Author keywords

Cluster expansion; Computational studies; Crystal structure; Elastic properties; Electronic structure; First principles; Intermetallics

Indexed keywords

CLUSTER EXPANSION; GRADIENT APPROXIMATION; INTERMETALLIC PHASES; PSEUDOBINARY ALLOY;

BINARY ALLOYS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELASTICITY; ELECTRONIC STRUCTURE; INTERMETALLICS; MECHANICAL STABILITY; PHASE STABILITY; THERMODYNAMIC STABILITY;

ALUMINUM ALLOYS;

EID: 34250186743     PISSN: 15477037     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11669-006-9007-4     Document Type: Conference Paper

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