Presentation Information

[B1-O302-11]Hydrogen Trapping Simulations on Random GB in BCC-Iron usingChemical Potential Control with Neural Network Interatomic Potential

*Kazuki Matsubara1, Kaneharu Okuda1, Yasunobu Nagataki1 (1. JFE Steel Corp. (Japan))

Keywords:

Neural network,Grain Boundary,Grand canonical ensemble,Hydrogen embrittlement,Steel