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Thermodynamic analysis of the Co–W system

  • Peisheng WangEmail author
  • Oleg Y. Kontsevoi
  • Gregory B. Olson
Computation and theory
  • 18 Downloads

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.

Notes

Acknowledgements

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).

Supplementary material

10853_2019_3616_MOESM1_ESM.tdb (9 kb)
Supplementary material 1 (tdb 8 kb)
10853_2019_3616_MOESM2_ESM.xlsx (365 kb)
Supplementary material 2 (XLSX 364 kb)

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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2019

Authors and Affiliations

  1. 1.Center for Hierarchical Materials Design (CHiMaD)Northwestern UniversityEvanstonUSA
  2. 2.Northwestern-Argonne Institute of Science and EngineeringNorthwestern UniversityEvanstonUSA
  3. 3.Department of Materials Science and EngineeringNorthwestern UniversityEvanstonUSA

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