2012
DOI: 10.2298/jmmb120113024h
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Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr) systems

Abstract: The Na-X (X = Si, Ag, Cu, Cr) systems have been critically reviewed and modeled by means of the CALPHAD approach. The two compounds, NaSi and Ag2Na, are treated as stoichiometric ones. By means of first-principles calculations, the enthalpies of formation at 0 K for the LT-NaSi (low temperature form of NaSi) and Ag2Na have been computed to be -5210 and -29821.8 Jmol-1, respectively, with the desire to assist thermodynamic modeling. One set of self-consistent thermodynamic parameters is obtained for each… Show more

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Cited by 9 publications
(25 citation statements)
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“…In [8], thermodynamic modeling and calculation of phase diagrams for the Na-Cu system are performed, and they were included in the review of H. Okamoto [15]. The authors of [8] used Redlich-Kister polynomials to build the model.…”
Section: Resultsmentioning
confidence: 99%
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“…In [8], thermodynamic modeling and calculation of phase diagrams for the Na-Cu system are performed, and they were included in the review of H. Okamoto [15]. The authors of [8] used Redlich-Kister polynomials to build the model.…”
Section: Resultsmentioning
confidence: 99%
“…The authors of [8] used Redlich-Kister polynomials to build the model. Unfortunately, the authors of [8] did not justify their choice of model parameters for solid solutions (experimental data [10][11][12][13][14], to which they refer, do not contain the necessary information). However, any additional information of this kind of data is absent in the literature.…”
Section: Resultsmentioning
confidence: 99%
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