Thermodynamic analysis of the Co–W system

Peisheng Wang; Oleg Y. Kontsevoi; Gregory B. Olson

doi:10.1007/s10853-019-03616-3

Thermodynamic analysis of the Co–W system

Peisheng Wang^*, Oleg Y. Kontsevoi, Gregory B. Olson

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

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.

Original language	English (US)
Pages (from-to)	10261-10269
Number of pages	9
Journal	Journal of Materials Science
Volume	54
Issue number	14
DOIs	https://doi.org/10.1007/s10853-019-03616-3
State	Published - Jul 30 2019

ASJC Scopus subject areas

Mechanics of Materials
Ceramics and Composites
Mechanical Engineering
Polymers and Plastics
General Materials Science
Materials Science (miscellaneous)

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10.1007/s10853-019-03616-3

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title = "Thermodynamic analysis of the Co–W system",

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.",

author = "Peisheng Wang and Kontsevoi, {Oleg Y.} and Olson, {Gregory B.}",

note = "Funding Information: This work was performed under the following financial assistance award 70NANB14H012 from US Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD). Publisher Copyright: {\textcopyright} 2019, Springer Science+Business Media, LLC, part of Springer Nature.",

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AU - Wang, Peisheng

AU - Kontsevoi, Oleg Y.

AU - Olson, Gregory B.

N1 - Funding Information: This work was performed under the following financial assistance award 70NANB14H012 from US Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD). Publisher Copyright: © 2019, Springer Science+Business Media, LLC, part of Springer Nature.

PY - 2019/7/30

Y1 - 2019/7/30

N2 - 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.

AB - 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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Thermodynamic analysis of the Co–W system

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