Modeling of phase stability of the fcc phases in the Ni-Ir-Al system using the cluster/site approximation method coupling with first-principles calculations

Acta Materialia

Volumn 56, Issue 11, 2008, Pages 2576-2584

  Zhang, C ^a   Zhu, J ^a   Bengtson, A ^a   Morgan, D ^a   Zhang, F ^b   Cao, W S ^b   Chang, Y A ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b CompuTherm LLC ^*  (United States)

Author keywords

CALPHAD; Cluster site approximation; First principles electron theory; Nickel alloys; Thermodynamics

Indexed keywords

APPROXIMATION THEORY; CRYSTAL STRUCTURE; EXTRAPOLATION; NICKEL ALLOYS; PHASE STABILITY; THERMODYNAMIC PROPERTIES;

CALPHAD; CLUSTER/SITE APPROXIMATION; FIRST-PRINCIPLES ELECTRON THEORY;

TERNARY ALLOYS;

EID: 44449131765     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2008.01.056     Document Type: Article

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