|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Materials Science and Engineering for Nuclear Energy
||Kinetics of Point Defect Absorption by Sinks: Effect of Point Defect Properties and Surrounding Microstructure
||Denise Carpentier, Thomas Jourdan, Yann Le Bouar, Mihai-Cosmin Marinica
|On-Site Speaker (Planned)
The behavior of materials under irradiation crucially depends on the absorption of point defects by the sinks (dislocations, cavities and loops). In cluster dynamics, the absorption efficiency of sinks is represented by the sink strengths, which must be precisely evaluated to obtain accurate modeling of the materials evolution under irradiation.
This work aims at performing a precise evaluation of sink strength values by Object Kinetic Monte-Carlo simulations. The elastic interactions between sinks and point defects are taken into account and defects are described by their elastic dipoles and polarizabilities at stable and saddle points, which are computed by ab initio calculations.
The study of point defect migration to isolated sinks reveals that the anisotropy of point defects at saddle points is a key parameter in sink strength calculations. The simulation of microstructures containing several sinks has been performed to investigate the effect of the neighboring clusters on sink strengths.
||Planned: Supplemental Proceedings volume