First-principles calculations of phase equilibria and transformation dynamics of Fe-based alloys

Journal of Phase Equilibria and Diffusion

Volumn 27, Issue 1, 2006, Pages 47-53

  Mohri, Tetsuo ^a   Ohno, Munekazu ^a,b   Chen, Ying ^c  

^a HOKKAIDO UNIVERSITY   (Japan)

^b CLAUSTHAL UNIVERSITY OF TECHNOLOGY   (Germany)

^c UNIVERSITY OF TOKYO   (Japan)

Author keywords

Cluster expansion method; Cluster variation method; Coarse graining; Fe Pd system; First principles calculation; L10 ordered phase; Ordering dynamics; Phase field method

Indexed keywords

COMPUTATIONAL METHODS; GRAIN BOUNDARIES; IRON ALLOYS; PHASE TRANSITIONS; TEMPERATURE DISTRIBUTION;

CLUSTER EXPANSION METHOD; CLUSTER VARIATION METHOD; COARSE GRAINING; FE-PD SYSTEM; FIRST-PRINCIPLES CALCULATION; L10 ORDERED PHASE; ORDERING DYNAMICS; PHASE FIELD METHOD;

PHASE EQUILIBRIA;

EID: 33644524132     PISSN: 15477037     EISSN: None     Source Type: Journal    
DOI: 10.1361/105497106X92790     Document Type: Conference Paper

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