| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Special Topics in Nuclear Materials: Lessons Learned; Non-Energy Systems; and Coupled Extremes
|
| Presentation Title |
Atomistic Simulation of Thermal and Irradiation Creep Mechanisms in BCC-Fe and FCC-Ni using Defect Rate-Based Long-time Dynamics |
| Author(s) |
Angel Chavira, Charles Hirst, Fei Gao, Kevin Field |
| On-Site Speaker (Planned) |
Angel Chavira |
| Abstract Scope |
Generation IV nuclear reactor components, such as fuel cladding, experience high temperatures, which limit their operational lifetime due to irradiation creep. Atomistic simulations can supplement experimental data by inferring creep mechanisms in the bulk material and at relevant timescales. Traditional methods, such as molecular dynamics and object kinetic Monte Carlo, struggle to simulate irradiation creep mechanisms due to time scale limitations or the high uncertainty associated with predefined diffusion paths. We employed Defect Rate-based Long-time Dynamics (DRLD) to study creep. DRLD is novel atomistic kinetic Monte Carlo code that uses ‘on-the-fly’ transition state search methods and defect preselection to accelerate dynamics to a timescale of seconds. With DRLD, we studied defect diffusion patterns with and without uniaxial stress in pure bcc-Fe and fcc-Ni systems. We will describe potential creep diffusion mechanisms of vacancy type defects at 450°C and 550°C. These findings inform potential irradiation creep mechanisms in experiments. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Nuclear Materials, Modeling and Simulation |