|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Materials Science and Engineering for Nuclear Energy
||Residual Point Defects and their Evolution near Dislocation Loops and Grain Boundaries in α-zirconium: An Atomistic Study
||Cong Dai, Peyman Saidi, Zhongwen Yao, Mark R. Daymond
|On-Site Speaker (Planned)
We perform molecular dynamics simulations of collision cascades in α-Zr with a volume having both < a > -type dislocation loops and tilted grain boundaries. The post-cascade population and type of residual point defects are analyzed based on the Wigner-Seitz cell method. Further, the formation energies of the point defects as a function of distance from the grain boundaries are calculated, explaining the distribution of the point defects. Our results show that < a > -type dislocation loops are unbiased sinks to both self-interstitial atoms and vacancies, but grain boundaries preferentially absorb self-interstitial atoms.
||Planned: Supplemental Proceedings volume