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1:55 PM - 2:15 PM JST(4:55 AM - 5:15 AM UTC)

[Or98] Thermodynamics and Kinetics of Hydrogen in TiCr₂ Laves Phases Revealed by Active-Learned Machine-Learning Potentials

*Yuji Ikeda¹, Pranav Kumar¹, Fritz Körmann^2,3, Kaveh Edalati⁴, Blazej Grabowski¹ (1. University of Stuttgart (Germany), 2. Ruhr-Universität Bochum (Germany), 3. Max Planck Institute for Sustainable Materials (Germany), 4. Kyushu University (Japan))

Keywords:

Laves phase,density functional theory,machine-learning interatomic potentials