About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Environmentally Assisted Cracking: Theory and Practice
|
| Presentation Title |
Atomistic Insights into Hydrogen-Enhanced Localized Plasticity in Steel via Molecular Dynamics Simulations |
| Author(s) |
Fernando Damian Castorena, Sara Adibi |
| On-Site Speaker (Planned) |
Fernando Damian Castorena |
| Abstract Scope |
Hydrogen embrittlement, a phenomenon inducing a loss of ductility and toughness in metals, poses a serious challenge to the reliability of steel alloys, particularly in structural and load-bearing applications. Among the leading theories explaining hydrogen embrittlement, hydrogen-enhanced localized plasticity provides a compelling explanation for the loss of ductility and premature failure observed in hydrogen-charged materials. In this study, atomic simulations based on molecular dynamics are used to observe hydrogen’s effects on dislocation behavior and localised deformation in steel. To achieve our goal of observing how hydrogen increases dislocation mobility and contributes to embrittlement in steel, we employ the LAMMPS package to model hydrogen interactions at grain boundaries, dislocation cores, and crack tips. This study provides a detailed, atomic-scale view of the HELP mechanism and explores how hydrogen’s presence can accelerate crack initiation and growth. These findings can aid future efforts to design more resistant steels for critical applications. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Iron and Steel, Mechanical Properties, Other |