Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 33, Issue 2, 2009, Pages 266-278

  van de Walle, Axel ^a  

^a California Institute of Technology   (United States)

Author keywords

Ab initio calculation; Cluster expansion; Phase diagram; Special quasirandom structure; Vibrational entropy

Indexed keywords

AB INITIO CALCULATION; AB-INITIO; ALLOY SYSTEMS; CLUSTER EXPANSION; ELECTRONIC ENTROPIES; MULTI COMPONENTS; PRACTICAL USE; SPECIAL QUASIRANDOM STRUCTURE; VIBRATIONAL ENTROPY;

ENTROPY; PHASE DIAGRAMS; PHASE INTERFACES;

ALLOYS;

EID: 67349125396     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2008.12.005     Document Type: Article

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