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Chandler A. Becker, John Ågren, Marcello Baricco, Qing Chen, Sergei A. Decterov, Ursula R. Kattner, John H. Perepezko, Gernot R. Pottlacher and Malin Selleby Thermodynamic modelling of liquids: CALPHAD approaches and contributions from statistical physics physica status solidi (b) 251

Article first published online: 20 DEC 2013 | DOI: 10.1002/pssb.201350149

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Accurate thermodynamic descriptions of liquids and amorphous phases are important for computational modelling of materials, even if crystalline phases are of primary interest. The difficulty of making experimental measurements on liquid metals has previously limited the available data for thermodynamic models. In the article by Becker et al., current approaches to CALPHAD modelling of liquid unaries are examined and the use of atomistic simulations is explored as a means to understand and complement available experimental data.

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