| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advanced Characterization Techniques for Quantifying and Modeling Deformation
|
| Presentation Title |
Characterizing Structure and Deformation in Molecular Dynamics Simulations of Shock Compressed Silicon and Diamond Carbon |
| Author(s) |
Alex C. Li, Rob Rudd, Boya Li, Marc Meyers |
| On-Site Speaker (Planned) |
Alex C. Li |
| Abstract Scope |
Silicon and Diamond are covalently bonded materials that share an ambient crystalline diamond cubic structure. The shock structure of silicon is investigated through classical molecular dynamics simulations in the range of 10-20 GPa using the modified Tersoff interatomic potential. Simulations in the literature have shown presence of amorphous regions at the areas with high dislocation density; however, the disordered structure outside of those amorphous regions was not fully identified. The structure is characterized here using radial distribution and angular distribution functions comparing pristine silicon structures with those within the shocked silicon bulk. Additionally, measurements are made of the flow stress and energy stored by the phase change within the shocked regions. These simulations are extended to modeling shock compression of diamond carbon, including the addition of voids and polycrystalline grain boundaries, and observing the deformations and structural changes that occur. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Computational Materials Science & Engineering, Characterization |