About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Materials Science and Engineering of Materials in Nuclear Reactors
|
Presentation Title |
The Use of Molecular Dynamics Simulations for Modeling Gas - Point Defect Interaction Behavior in Nuclear Materials |
Author(s) |
Brian D. Wirth |
On-Site Speaker (Planned) |
Brian D. Wirth |
Abstract Scope |
The molecular dynamics (MD) simulation technique was initially developed to study defect creation during radiation damage in nuclear materials. In this presentation, I will provide an overview of recent molecular dynamics results, which highlight how the exponential increase in computational power has enabled studying much larger, more complex nuclear materials for times to address questions associated with displacement cascades in metals and fission product track interactions with fission gas bubbles in nuclear fuel. I will then address how the use of sustained duration MD simulations have simulated in excess of 1 micro-second to produce insight into the the nucleation and growth of high pressure helium bubbles in fusion plasma facing components, and the interactions between hydrogen and helium with bubbles and defects. The presentation will also discuss gaps in our ability to simulate longer time scale processes and important open questions that can be addressed by atomistic modeling. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |