Thermodynamic analysis of the Co–W system
Source abstract
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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Research context
OpenAlex topics: Rare-earth and actinide compounds · Advanced Chemical Physics Studies · nanoparticles nucleation surface interactions
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