TY - JOUR
T1 - A Monte Carlo model of irradiation-induced recrystallization in polycrystalline UMo fuels
AU - Frazier, William E.
AU - Hu, Shenyang
AU - Burkes, Douglas E.
AU - Beeler, Benjamin W.
N1 - Publisher Copyright:
© 2019 Elsevier B.V.
PY - 2019/10
Y1 - 2019/10
N2 - Experiments show that irradiation-induced recrystallization speeds up the swelling kinetics in U-10 wt% Mo fuels. However, recrystallization mechanisms and the effect of initial grain microstructures on recrystallization kinetics are still unclear. In this work a Monte Carlo model coupling the rate theory of defect evolution has been developed to study the irradiation-induced recrystallization. The rate theory is used to describe the spatial evolution of gas bubbles, interstitials and interstitial loops; First-Passage Kinetic Monte Carlo (FPKMC) approach is used to describe the fast and strongly anisotropic migration of interstitials, and a Cellular Automata method is used to model the formation of recrystallized grains. With the assumption that recrystallization may occur when the local interstitial loop density is larger than a given critical value, simulation results reveal that 1) recrystallized grains first nucleate on grain boundaries and the recrystallization zone front moves to the center of original coarse grains in the UMo matrix, and 2) recrystallization starts earlier in coarse polycrystalline structures, while the overall recrystallization kinetics decreases with increasing grain size. These results agree with experimental observations. The comparison of recrystallization kinetics obtained from experiments and modeling suggests that the interstitial loop accumulation leads to the recrystallization and the interstitial loop growth is suppressed inside coarse grains due to the over-pressured intra-granular gas bubbles.
AB - Experiments show that irradiation-induced recrystallization speeds up the swelling kinetics in U-10 wt% Mo fuels. However, recrystallization mechanisms and the effect of initial grain microstructures on recrystallization kinetics are still unclear. In this work a Monte Carlo model coupling the rate theory of defect evolution has been developed to study the irradiation-induced recrystallization. The rate theory is used to describe the spatial evolution of gas bubbles, interstitials and interstitial loops; First-Passage Kinetic Monte Carlo (FPKMC) approach is used to describe the fast and strongly anisotropic migration of interstitials, and a Cellular Automata method is used to model the formation of recrystallized grains. With the assumption that recrystallization may occur when the local interstitial loop density is larger than a given critical value, simulation results reveal that 1) recrystallized grains first nucleate on grain boundaries and the recrystallization zone front moves to the center of original coarse grains in the UMo matrix, and 2) recrystallization starts earlier in coarse polycrystalline structures, while the overall recrystallization kinetics decreases with increasing grain size. These results agree with experimental observations. The comparison of recrystallization kinetics obtained from experiments and modeling suggests that the interstitial loop accumulation leads to the recrystallization and the interstitial loop growth is suppressed inside coarse grains due to the over-pressured intra-granular gas bubbles.
UR - http://www.scopus.com/inward/record.url?scp=85068452990&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/ad9181d3-ce64-3a1f-9325-bc1df0e2d6f1/
U2 - 10.1016/j.jnucmat.2019.07.004
DO - 10.1016/j.jnucmat.2019.07.004
M3 - Article
AN - SCOPUS:85068452990
SN - 0022-3115
VL - 524
SP - 164
EP - 176
JO - Journal of Nuclear Materials
JF - Journal of Nuclear Materials
ER -