About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Defects and Interfaces: Modeling and Experiments
|
Presentation Title |
Molecular Dynamics Study of Hydrogen Effect on Screw Dislocation Motion and Their Interaction |
Author(s) |
Shuhei Shinzato, Jiaqin Xu, Fan-Shun Meng, Shigenobu Ogata |
On-Site Speaker (Planned) |
Shuhei Shinzato |
Abstract Scope |
Hydrogen affects the mechanical properties of metallic materials, and these effects are known as hydrogen embrittlement. Since iron and its alloys are widely used in industry as structural materials, it is essential to understand the mechanism of hydrogen embrittlement from atomistic viewpoint. In iron and other body-centered cubic metals, plastic deformation is governed by the motion of screw dislocations, and it is important to understand the effect of hydrogen on the behavior of screw dislocation dislocations. In this study, we perform the molecular dynamics simulations to discuss the effect of hydrogen and vacancy on screw dislocation glide and dislocation-dislocation interaction in iron-hydrogen system using a machine-learning neural network interatomic potential which can well describe not only the interaction among hydrogen, vacancy and screw dislocation but also the screw dislocation property in iron. |
Proceedings Inclusion? |
Planned: |
Keywords |
Iron and Steel, Modeling and Simulation, |