Molecular Dynamics Analysis of Hydrogen Diffusion Behavior in Alpha-Fe Bi-Crystal Under Bending Deformation

• Published in: Applied Mechanics Vol. 5; no. 4; pp. 731 - 744
• Main Authors: Saitoh, Ken-ichi, Koga, Haruka, Sato, Tomohiro, Takuma, Masanori, Takahashi, Yoshimasa
• Format: Journal Article
• Language: English
• Published: Zwijnaarde MDPI AG 01.12.2024
• Subjects: Accuracy; Bending stresses; Deformation; diffusion; embedded atom method; Hydrogen; hydrogen embrittlement; iron and steel; Metal forming; molecular dynamics; numerical analysis; Residual stress; Simulation; Stress concentration

The hydrogen embrittlement (HE) phenomenon occurring in drawn pearlitic steel wires sometimes results in dangerous delayed fracture and has been an important issue for a long time. HE is very sensitive to the amount of plastic deformation applied in the drawing process. Hydrogen (H) atom diffusion i...