[S1] S1.Materials DX for the research and development of structural materials for extreme environment (III)(1)

11:35 AM - 11:55 AM JST(2:35 AM - 2:55 AM UTC)

[S1.4] First-Principles Investigation of Hydrogen Segregation in Fe Carbides

*Liao Heting¹, Wakeda Masato¹, Shibata Akinobu¹, Ohmura Takahito^1,2 (1. NIMS, 2. Kyushu Univ.)

Keywords:

Hydrogen embrittlement,Hydrogen trapping,Carbides,Density functional theory

First-principles density-functional theory calculations were performed to quantify hydrogen segregation in ε-Fe₂.₄C, ε-Fe₃C, η-Fe₂C, and θ-Fe₃C carbides in bcc-Fe.