화학공학소재연구정보센터
Journal of Materials Science, Vol.54, No.14, 10261-10269, 2019
Thermodynamic analysis of the Co-W system
Density functional theory (DFT) calculations including spin polarization were performed to obtain the energies for all end-member configurations of the mu phase, which were used to evaluate the Gibbs energies of the mu 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 mu phase.