Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics

Physica Status Solidi (B) Basic Research

Volumn 251, Issue 1, 2014, Pages 33-52

  Becker, Chandler A ^a   Ågren, John ^b   Baricco, Marcello ^c   Chen, Qing ^d   Decterov, Sergei A ^e   Kattner, Ursula R ^a   Perepezko, John H ^f   Pottlacher, Gernot R ^g   Selleby, Malin ^b  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^c UNIVERSITY OF TURIN   (Italy)

^d Thermo Calc Software AB   (Sweden)

^e ÉCOLE POLYTECHNIQUE DE MONTRÉAL   (Canada)

^f UNIVERSITY OF WISCONSIN MADISON   (United States)

^g GRAZ UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

CALPHAD; First principles; Glass transition; Liquids; Molecular dynamics; Thermodynamic modelling

Indexed keywords

ATOMS; FREE ENERGY; GIBBS FREE ENERGY; GLASS; GLASS TRANSITION; MOLECULAR DYNAMICS; MONTE CARLO METHODS; STATISTICAL PHYSICS; TEMPERATURE DISTRIBUTION;

ATOMIC INTERACTIONS; ATOMIC-SCALE SIMULATIONS; CALPHAD; EXPERIMENTAL METHODS; FIRST PRINCIPLES; INTERATOMIC POTENTIAL; TEMPERATURE DEPENDENCE; THERMODYNAMIC MODELLING;

LIQUIDS;

EID: 84892470401     PISSN: 03701972     EISSN: 15213951     Source Type: Journal    
DOI: 10.1002/pssb.201350149     Document Type: Article

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