Presentation Information
[P100]Reconsideration on Lattice Parameters of Mo-based Binary Alloys in King Table using the First-principles Calculations
*Mohan LIU1, Kyosuke Yoshimi2 (1. Tohoku univ. (graduate student), 2. Tohoku univ.)
Keywords:
First-Principles Calculation,molybdenum solid solution,Density Functional Perturbation Theory (DFPT),the King Table
MoSiBTiC alloys excel in ultrahigh-temperature applications. This study uses DFPT to calculate lattice parameters and Ωsf, aiding alloy design.
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