TY - JOUR
T1 - Atomistic study of grain boundary sink strength under prolonged electron irradiation
AU - Zhang, Yongfeng
AU - Huang, Hanchen
AU - Millett, Paul C.
AU - Tonks, Michael
AU - Wolf, Dieter
AU - Phillpot, Simon R.
N1 - Funding Information:
The authors gratefully acknowledge the DOE/BES support through the Computational Materials Science Network (CMSN) project on “Multi-scale simulation of thermo-mechanical processes in irradiated fission-reactor materials”. Huang acknowledges supports from the National Science Foundation support ( DMR-0906349 ) and the Defense Threat Reduction Agency ( HDTRA1-09-1-0027 ). Millett and Zhang thank the support of the LDRD project at INL on “Irradiation-induced evolution of defect and microstructure in nanocrystalline BCC Mo” (INL-LDRD10-008-CP.01.01.GL.08.11).
PY - 2012/3
Y1 - 2012/3
N2 - Grain boundaries (GBs) can act as either sinks or sources of the point defects that are produced in large numbers under irradiation damage. In polycrystalline materials, as the grain size decreases, more of the point defects resulting from irradiation damage annihilate at GBs. It is unknown, however, whether the GB sink efficiency will saturate after prolonged defect annihilation, particularly when the grain size is of nanoscale dimensions. Using a combination of molecular dynamics (MD) simulation and rate theory, the authors show that high-energy GBs in body-centered-cubic (BCC) Mo do not saturate as sinks of point defects. The MD simulations serve to provide direct measurement of defect evolution, and the rate theory serves both to test whether grain boundary sink strength is constant during prolonged defect annihilation, and to extend the MD results to realistic defect production rates.
AB - Grain boundaries (GBs) can act as either sinks or sources of the point defects that are produced in large numbers under irradiation damage. In polycrystalline materials, as the grain size decreases, more of the point defects resulting from irradiation damage annihilate at GBs. It is unknown, however, whether the GB sink efficiency will saturate after prolonged defect annihilation, particularly when the grain size is of nanoscale dimensions. Using a combination of molecular dynamics (MD) simulation and rate theory, the authors show that high-energy GBs in body-centered-cubic (BCC) Mo do not saturate as sinks of point defects. The MD simulations serve to provide direct measurement of defect evolution, and the rate theory serves both to test whether grain boundary sink strength is constant during prolonged defect annihilation, and to extend the MD results to realistic defect production rates.
UR - https://www.scopus.com/pages/publications/84862782550
UR - https://www.scopus.com/pages/publications/84862782550#tab=citedBy
U2 - 10.1016/j.jnucmat.2011.12.024
DO - 10.1016/j.jnucmat.2011.12.024
M3 - Article
AN - SCOPUS:84862782550
SN - 0022-3115
VL - 422
SP - 69
EP - 76
JO - Journal of Nuclear Materials
JF - Journal of Nuclear Materials
IS - 1-3
ER -