A new algorithm for the automation of phase diagram calculation

Computational Materials Science

Volumn 35, Issue 1, 2006, Pages 61-74

  Emelianenko, Maria ^a   Liu, Zi Kui ^a   Du, Qiang ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Automation; Complexity; Free energy minimization; Numerical algorithm; Phase diagrams; Stable equilibria

Indexed keywords

ALGORITHMS; AUTOMATION; COMPUTATIONAL COMPLEXITY; GIBBS FREE ENERGY; MATERIALS SCIENCE; PHASE EQUILIBRIA; SAMPLING; TERNARY SYSTEMS;

COMPLEXITY; FREE ENERGY MINIMIZATION; NUMERICAL ALGORITHMS; STABLE EQUILIBRIA;

PHASE DIAGRAMS;

EID: 25144494582     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2005.03.004     Document Type: Article

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