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Table 3: Regular 0L interaction parameter term (kJ/mol) obtained by SQS calculation. They are given for the six binary systems in the three structures : f cc, bcc, hcp.
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Journal Article
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DOI
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ZenGen, a tool to generate ordered configurations for systematic first-principles calculations: The Cr–Mo–Ni–Re system as a case study ☆
[...]
Jean-Claude Crivello
1
,
Raphaël Souques
1
,
A. Breidi
1
,
Natacha Bourgeois
1
,
Jean-Marc Joubert
1
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+1 more
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Institutions (1)
Centre national de la recherche scientifique
1
01 Dec 2015
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Calphad-computer Coupling of Phase Diagrams and Thermochemistry