DFT Calculations and Thermodynamic Re-Assessment of the Fe-Y Binary System
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DOI: 10.1007/s11669-021-00887-9
Abstract: Based on the CALPHAD method combined with density functional theory (DFT) calculations, we performed a thermodynamic reassessment of the binary Fe-Y system leading to good agreement with the available experimental measurements. The electronic, vibrational, and… read more here.
Keywords: assessment binary; calculations thermodynamic; thermodynamic assessment; binary system ... See more keywords