Computer Simulation of Defects and Interfaces in Nuclear Fuel Materials
EMSL Project ID
27591
Abstract
The objective of this proposal is to simulate the synergistic effects of radiation damage, elevated temperature and stress on microstructural evolution and fission gas bubble evolution in nuclear fuel. The proposed work is driven by the need for predictive performance models of nuclear fuel matrices. Our approach will combine molecular dynamics (MD) and kinetic Monte Carlo (KMC) simulations to obtain a fundamental understanding of atomic-level processes over multiple time and length scales. The atomic-level characterization of nanoscale phenomena in fuels obtained from the proposed should enable the control of the detrimental restructuring that occurs in nuclear fuels at high burnups. The main impact of the proposed work will be detailed scientific models of fuel and structural material performance, which should lead to innovative approaches to control microstructural evolution in nuclear materials.
Project Details
Project type
Exploratory Research
Start Date
2007-09-01
End Date
2008-09-07
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Devanathan R, and WJ Weber. 2008. "Dynamic annealing of defects in irradiated zirconia-based ceramics." Journal of Materials Research 23(3):593-597. doi:10.1557/JMR.2008.0104
Franco Pinheiro Moreira PA, S Guedes, C Tello Saenz, and JC Hadler. 2013. "Molecular Dynamics Simulations of Track Formation at Different Ensembles." Radiation Measurements 48:68-72. doi:10.1016/j.radmeas.2012.10.011