Thermodynamic analysis of the Fe-Ti-P ternary system by incorporating first-principles calculations into the CALPHAD approach

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 30, Issue 2, 2006, Pages 147-158

  Ohtani, Hiroshi ^a   Hanaya, Naoko ^a   Hasebe, Mitsuhiro ^a   Teraoka, Shin ichi ^b   Abe, Masayuki ^b  

^a KYUSHU INSTITUTE OF TECHNOLOGY   (Japan)

^b NIPPON STEEL CORPORATION   (Japan)

Author keywords

First principles calculation; IF steels; Phase diagram; Phosphide; Thermodynamic analysis

Indexed keywords

BINARY ALLOYS; PHASE DIAGRAMS; PHASE EQUILIBRIA; PROBABILITY; THERMODYNAMIC PROPERTIES;

FIRST-PRINCIPLES CALCULATION; IF STEELS; LINEARIZED AUGMENTED PLANE WAVE; PHOSPHIDE; THERMODYNAMIC ANALYSIS;

TERNARY SYSTEMS;

EID: 33645877378     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2005.09.006     Document Type: Article

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