|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Materials Science and Engineering for Nuclear Energy
||Dislocation Loop Bias in BCC Fe
||Andrew Ervin, Luis Casillas-Trujillo, Haixuan Xu
|On-Site Speaker (Planned)
The dislocation bias phenomenon is traditionally studied using kinetic rate theory models. This allows for an estimation of bias in the case of edge and screw dislocations. This method does not easily extend to dislocation loops and other defect clusters because of complications arising from the defect-cluster interaction energy functions. In this study, we develop a Kinetic Monte Carlo model which simulates the migration of self-interstitial atoms (SIA) and vacancy defects to the dislocation loop structure. Our model considers the migration energy barriers of dumbbell SIA and vacancies in each position surrounding a dislocation loop in bcc Fe. Extra attention is given to the complex structure of SIA saddle point configurations, across multiple dumbbell orientations with potential first and second nearest-neighbor jumps. The simulations consider a range of temperatures, loop sizes, loop orientations, and loop densities. A bias factor is then determined as a function of temperature and dislocation density.
||Planned: Supplemental Proceedings volume