About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Materials Systems for the Future of Fusion Energy
|
Presentation Title |
Molecular Dynamics Simulations of Hydrogen and Nitrogen Implantation in Tungsten |
Author(s) |
Mary Alice Cusentino, Mitchell Wood, Aidan Thompson |
On-Site Speaker (Planned) |
Mary Alice Cusentino |
Abstract Scope |
Tungsten is currently the candidate material for the divertor component of future fusion reactors. The divertor will be subject to high particle fluxes of a variety of plasma species including both hydrogen and nitrogen. This results in a variety of microstructural changes including blister and tungsten-nitride formation. Molecular dynamics simulations can play a key role in both understanding physical processes leading to microstructural changes as well as providing information on hydrogen trapping and retention. However, accurate interatomic potentials are limited for these types of material interactions. In this work, we will discuss both the development of new machine learning interatomic potentials for studying hydrogen and nitrogen effects in tungsten and molecular dynamics simulations of hydrogen and nitrogen implantation in tungsten. SNL is managed and operated by NTESS under DOE NNSA contract DE-NA0003525. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Nuclear Materials, Modeling and Simulation |