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Journal of Materials Science

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15-04-2019 | Computation and theory

Thermodynamic analysis of the Co–W system

Authors: Peisheng Wang, Oleg Y. Kontsevoi, Gregory B. Olson

Published in: Journal of Materials Science | Issue 14/2019

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Abstract

Density functional theory (DFT) calculations including spin polarization were performed to obtain the energies for all end-member configurations of the μ phase, which were used to evaluate the Gibbs energies of the μ phase. The Co–W system was thermodynamically re-assessed in the present work. The present calculated phase diagram fits well with the experimental data. Applying the DFT results was essential for giving a better description of the μ phase.

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Title: Thermodynamic analysis of the Co–W system
Authors: Peisheng Wang
Oleg Y. Kontsevoi
Gregory B. Olson
Publication date: 15-04-2019
Publisher: Springer US
Published in: Journal of Materials Science / Issue 14/2019
Print ISSN: 0022-2461
Electronic ISSN: 1573-4803
DOI: https://doi.org/10.1007/s10853-019-03616-3

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