Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2026
A nuclear-quantum-corrected machine-learning potential reveals quantum-enhanced hydrogen segregation at general grain boundaries in alpha-iron
Kazuma Ito
Atomistic descriptions of hydrogen diffusion and trapping at defects are essential for understanding hydrogen embrittlement. As the lightest solute in metals, hydrogen exhibits nuc…
cond-mat.mtrl-sci2025
Fast and accurate Fe-H machine-learning interatomic potential for elucidating hydrogen embrittlement mechanisms
Kazuma Ito
Understanding the mechanisms of hydrogen embrittlement (HE) is essential for advancing next-generation high-strength steels, thereby motivating the development of highly accurate m…