Application of ab initio electronic structure calculations for prediction of phase equilibria in superaustenitic steels

Computational Materials Science

Volumn 38, Issue 2, 2006, Pages 298-302

  Vrest'al J ^a   Kroupa, A ^b   Sob M ^a,b  

^a MASARYK UNIVERSITY   (Czech Republic)

^b INSTITUTE OF PHYSICS OF MATERIALS   (Czech Republic)

Author keywords

Electronic structure; Intermetallic phases; Phase diagrams; Steel; Thermodynamic database

Indexed keywords

AUSTENITE; MATHEMATICAL MODELS; PHASE EQUILIBRIA; STAINLESS STEEL; THERMODYNAMICS; TRANSITION METALS;

ENERGY DIFFERENCES; INTERMETALLIC PHASES; THERMODYNAMIC DATABASE;

ELECTRONIC STRUCTURE;

EID: 33750437303     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2006.03.002     Document Type: Article

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