Browsing CALPHAD Assessments by Subject "Magnetism"

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Thermodynamic analysis of the topologically close packed σ phase in the Co-Cr system

Wang, Peisheng; Peters, Matthew C.; Kattner, Ursula R.; Choudhary, Kamal; Olson, Gregory B (2019-11)

Density functional theory (DFT) calculations show that it is essential to consider the magnetic contribution to the total energy for the end-members of the σ phase. A more straightforward method to use the DFT results in ...