[G] Phase Stability and Phase Transformations

1:15 PM - 1:30 PM JST(4:15 AM - 4:30 AM UTC)

[206] Analysis of phase diagram for the Li-O system using first-principles calculations

○Satoshi Tajima¹, Takao Suzuki¹, Masanori Enoki², Hiroshi Otani³ (1. JX Advanced Metals Corporation, 2. Shimane University, 3. New Industry Creation Hatchery Center)

Keywords:

Phase diagram,First-principles calculations

A Li–O diagram was built from first-principles solid, liquid, and gas free energies, reproducing solid–gas equilibria and assessing liquid-phase effects.