| About this Abstract |
| Meeting |
TMS Specialty Congress 2025
|
| Symposium
|
8th World Congress on Integrated Computational Materials Engineering (ICME 2025)
|
| Presentation Title |
Effect of Nitrogen Ion Implantation Energy on Defect Formation in Diamond Single Crystals: A Classical Molecular Dynamics Study for Quantum Device Materials |
| Author(s) |
Farid Rafie, Nidal Abu-Zahra |
| On-Site Speaker (Planned) |
Farid Rafie |
| Abstract Scope |
Defects in diamond crystals are controlled to achieve the level of precision necessary for the development of solid-state quantum technologies. In this work, the molecular dynamics (MD) technique is applied to study the modification of microstructure defects in a single crystal diamond resulting from nitrogen ion implantation. A Tersoff and Lennard-Jones mixed potential is used for covalent and non-covalent bonds between carbon and nitrogen atoms with the diamond superlattice. Initially, the diamond lattice is equilibrated at ambient conditions before proceeding with direction-dependent nitrogen implantation. Various types of structural defects, defect distributions, atomic reconfigurations, and energies associated with damage are evaluated to create intricate processes of energy-dependent damage. This study contributes to the more precise development of diamond-based quantum materials. |
| Proceedings Inclusion? |
Undecided |