Becker, C.
, Agren, J.
, Baricco, M.
, Chen, Q.
, Decterov, S.
, Kattner, U.
, Perepezko, J.
, Pottlacher, G.
and Selleby, M.
(2013),
Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics, Physica Status Solidi, [online], https://doi.org/10.1002/pssb.201350149
(Accessed October 15, 2025)
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Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics
Published
Author(s)
, J Agren, Marcello Baricco, Qing Chen, Sergei A. Decterov, , John Perepezko, Gernot Pottlacher, Malin Selleby
Abstract
Here we describe current approaches to modelling liquids in CALPHAD. available experimental methods and results, and considerations in the use of molecular simulation and first-principles methods in thermodynamic modelling of liquids. We examine the two-state model in detail and compare results with experiment and theory where available.Citation
Physica Status Solidi
Volume
251
Issue
1
Pub Type
Journals
Download Paper
Keywords
Liquids, thermodynamic modeling, CALPHAD, molecular dynamics, glass transition, first-principles
Citation
Issues
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Created December 20, 2013, Updated November 10, 2018