About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Radiation Effects in Solid-State Materials: An SMD Symposium Honoring William J Weber
|
| Presentation Title |
Effect of Applied Strain on Point-Defect Energetics and Diffusion Mechanisms in Copper |
| Author(s) |
Abdelrahman Rabie Soufi Mohamed, Cheng Sun |
| On-Site Speaker (Planned) |
Abdelrahman Rabie Soufi Mohamed |
| Abstract Scope |
Point-defect kinetics play a fundamental role in the microstructural evolution of irradiated materials. Copper serves as an important face-centered cubic (FCC) model system for investigating irradiation-induced defect behavior and self-organization phenomena. In this work, molecular dynamics (MD) and molecular statics (MS) simulations are used to examine the effects of applied strain on the formation energies, migration barriers, and diffusion dimensionality of vacancies and self-interstitial atom (SIA) defects in copper. The results show that applied strain reduces the migration barriers of both vacancies and SIAs, enhancing their mobility. However, a strain-induced transition from three-dimensional (3D) to one-dimensional (1D) diffusion was observed only for SIAs. These findings provide fundamental insight into the coupling between mechanical deformation and defect transport in FCC metals and establish a key kinetic foundation for future investigations of irradiation-induced gas bubble superlattice (GBS) formation, radiation tolerance, and fuel stability. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Copper / Nickel / Cobalt, Nuclear Materials, Computational Materials Science & Engineering |