[G] 相安定性・金属ガラス・準結晶

[32] Thermodynamic Database of the Sm-Fe-B Ternary System from First-principles Calculations

*Arkapol Saengdeejing¹, Theresa Davey¹, Ying Chen¹ (1. Tohoku University)

キーワード：CALPHAD、First-principle calculation、SmFe₁₂

Thermodynamic database for the Sm-Fe-B is construct from first-principles calculations. Gibbs energy of all compounds within the ternary system are evaluated from finite temperature calculations.