[S1] S1 New Materials Science on Nanoscale Structures and Functions at Crystal Interface II

2:00 PM - 2:20 PM JST(5:00 AM - 5:20 AM UTC)

[S1.19] Domain-Wall Analysis in BaTiO₃ Using a Machine-Learning Potential

○Daiki Nakajima^1,2, Shin Kiyohara², Atsushi Takigawa^1,2, Yu Kumagai^2,3 (1. Tohoku Univ., 2. Tohoku Univ. IMR, 3. Tohoku Univ. AIMR)

Keywords:

Machine-Learning Potential,Molecular Dynamics,Domain-wall,Ferroelectric

Using MLMD with a machine-learning potential, we investigated domain-wall structures and polarization reversal in BaTiO₃