[2C01-07] Data Science, Fuel Research with Machine Learning

[2C03] New Developments in Nuclear Fuel Research through Integration with Data Science

(3)Development of neural network potential of UO₂

*Kenji Konashi¹, Nobuhiko Kato², Kazuki Mori², Ken Kurosaki³ (1. Tohoku University, 2. CTC, 3. Kyoto University)

Keywords:Nuclear Fuel, Potential, First Principles, Molecular Dynamics

Neural network potential for UO₂ has been developed using artificial intelligence (AI) technology. The enthalpy, density and diffusion coefficient of UO₂ werecalculated by molecular dynamics (MD) method with the potential.