About this Abstract |
Meeting |
2020 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Materials Science and Engineering of Materials in Nuclear Reactors
|
Presentation Title |
Molecular Dynamics Simulations of Mixed Materials in Tungsten |
Author(s) |
Mary Alice Cusentino, Mitchell Wood, Aidan Thompson |
On-Site Speaker (Planned) |
Mary Alice Cusentino |
Abstract Scope |
Tungsten and beryllium are both used in fusion reactors, as divertor and first wall materials, respectively. Beryllium transported from the first wall deposits on the tungsten divertor. Linear plasma experiments of beryllium deposition on tungsten indicate the formation of tungsten/beryllium intermetallics, which degrade the material properties and performance of the divertor. To study this phenomenon at the microscopic scale, we have used the Spectral Neighbor Analysis Potential (SNAP) approach to develop a high accuracy machine learning interatomic potential for molecular dynamics simulations of beryllium implantation in tungsten. Results indicate that both amorphous and ordered tungsten/beryllium structures form near the surface that are precursors to intermetallic formation. Beryllium is observed to mix with the tungsten substrate through an exchange mechanism. These results show the early stages of formation of tungsten/beryllium surface layers that provide unprecedented insight into experimental observations. SNL is managed and operated by NTESS under DOE NNSA contract DE-NA0003525. |
Proceedings Inclusion? |
Planned: Supplemental Proceedings volume |