Thermodynamic modeling of Mg-Ca-Ce system by combining first-principles and CALPHAD method

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Abstract

Thermodynamic assessments of the Ca-Ce and Ce-Mg binary systems were carried out by means of the CALPHAD approach complemented by first-principles calculations. The thermodynamic description for the Mg-Ca-Ce system was obtained by combining the derived databases of the Ca-Ce and Ce-Mg systems in the present work with that of the Ca-Mg system from the literature.

Original languageEnglish (US)
Pages (from-to)294-301
Number of pages8
JournalJournal of Alloys and Compounds
Volume463
Issue number1-2
DOIs
StatePublished - Sep 8 2008

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Thermodynamics

All Science Journal Classification (ASJC) codes

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

Cite this

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title = "Thermodynamic modeling of Mg-Ca-Ce system by combining first-principles and CALPHAD method",
abstract = "Thermodynamic assessments of the Ca-Ce and Ce-Mg binary systems were carried out by means of the CALPHAD approach complemented by first-principles calculations. The thermodynamic description for the Mg-Ca-Ce system was obtained by combining the derived databases of the Ca-Ce and Ce-Mg systems in the present work with that of the Ca-Mg system from the literature.",
author = "Hui Zhang and Yi Wang and Shunli Shang and Long-qing Chen and Zi-kui Liu",
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AU - Zhang, Hui

AU - Wang, Yi

AU - Shang, Shunli

AU - Chen, Long-qing

AU - Liu, Zi-kui

PY - 2008/9/8

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N2 - Thermodynamic assessments of the Ca-Ce and Ce-Mg binary systems were carried out by means of the CALPHAD approach complemented by first-principles calculations. The thermodynamic description for the Mg-Ca-Ce system was obtained by combining the derived databases of the Ca-Ce and Ce-Mg systems in the present work with that of the Ca-Mg system from the literature.

AB - Thermodynamic assessments of the Ca-Ce and Ce-Mg binary systems were carried out by means of the CALPHAD approach complemented by first-principles calculations. The thermodynamic description for the Mg-Ca-Ce system was obtained by combining the derived databases of the Ca-Ce and Ce-Mg systems in the present work with that of the Ca-Mg system from the literature.

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