TY - JOUR
T1 - The effect of screw dislocation on Helium Bubble growth in Tungsten
T2 - molecular dynamic simulation study
AU - Wang, Zexuan
AU - Xie, Hongxian
AU - Lu, Guang Hong
N1 - Publisher Copyright:
© 2023
PY - 2023/10/25
Y1 - 2023/10/25
N2 - The effect of a 1/2[1 1 1] screw dislocation on the growth of helium bubble in tungsten is investigated by molecular dynamics simulation method. When helium bubble grows at sites less than 3 nm away from the dislocation, tungsten self-interstitial atoms (SIAs) pushed out by the growing bubble are absorbed by and then migrate rapidly along the dislocation line, inducing the screw dislocation to evolve into a helical configuration. The existence of screw dislocation can facilitate the growth of helium bubble. The interaction energies between the screw dislocation and point defects (helium, SIA and vacancy) are calculated. The interaction energies are all negative, indicating that the screw dislocation can attract and serve as a sink for these point defects. Further investigation shows that the interactions between the screw dislocation and these point defects are local, and stem from the special stress distribution pattern of the screw dislocation.
AB - The effect of a 1/2[1 1 1] screw dislocation on the growth of helium bubble in tungsten is investigated by molecular dynamics simulation method. When helium bubble grows at sites less than 3 nm away from the dislocation, tungsten self-interstitial atoms (SIAs) pushed out by the growing bubble are absorbed by and then migrate rapidly along the dislocation line, inducing the screw dislocation to evolve into a helical configuration. The existence of screw dislocation can facilitate the growth of helium bubble. The interaction energies between the screw dislocation and point defects (helium, SIA and vacancy) are calculated. The interaction energies are all negative, indicating that the screw dislocation can attract and serve as a sink for these point defects. Further investigation shows that the interactions between the screw dislocation and these point defects are local, and stem from the special stress distribution pattern of the screw dislocation.
KW - Atomistic simulation
KW - Helical dislocation
KW - Helium bubble growth
UR - https://www.scopus.com/pages/publications/85168803965
U2 - 10.1016/j.commatsci.2023.112457
DO - 10.1016/j.commatsci.2023.112457
M3 - 文章
AN - SCOPUS:85168803965
SN - 0927-0256
VL - 230
JO - Computational Materials Science
JF - Computational Materials Science
M1 - 112457
ER -