A combined first-principles calculation and thermodynamic modeling of the F-K-Na system

Materials Science and Engineering: A

Volumn 418, Issue 1-2, 2006, Pages 161-171

  Zhang, Shengjun ^a,b   Brubaker, Carl ^b   Jiang, Chao ^b   Yang, Mei ^b   Zhong, Yu ^b   Han, Qingyou ^a   Liu, Zi Kui ^b  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

CALPHAD; F K Na; First principles; Tantalum; Thermodynamics

Indexed keywords

ENTHALPY; MATHEMATICAL MODELS; PHASE DIAGRAMS; PHASE EQUILIBRIA; TANTALUM; THERMODYNAMIC PROPERTIES; THERMODYNAMICS;

COMPUTATIONAL THERMODYNAMIC MODELING; FIRST PRINCIPLES APPROACH; PHASE STABILITY;

TERNARY SYSTEMS;

ENTHALPY; MATHEMATICAL MODELS; PHASE DIAGRAMS; PHASE EQUILIBRIA; TANTALUM; TERNARY SYSTEMS; THERMODYNAMIC PROPERTIES; THERMODYNAMICS;

EID: 32244439739     PISSN: 09215093     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.msea.2005.11.037     Document Type: Article

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