[P] P166~P176 Computational Science

[P173] Evaluation of the temperature dependence of dislocation cross-slip based on machine learning potential for Ni and free energy calculations

○Tomohiro Ishigami^1,2, Masato wakeda¹, takahito ohmura^1,2 (1. National Institute for Materials Science, 2. Kyushu Univerisy)

Keywords:

Machine learning potential,Free energy calculation,Molecular dynamics simulation,Ni,Dislocation cross-slip

Dislocation cross-slip is important for understanding deformation of metallic materials and difficult to observe experimentally. The machine learning potential for Ni which is high accuracy and high speed is developed and free energy calculations at finite temperature are calculated.