TY - JOUR
T1 - Object kinetic Monte Carlo model for neutron and ion irradiation in tungsten: Impact of transmutation and carbon impurities
AU - Castin, Nicolas
AU - Bonny, Giovanni
AU - Bakaev, Alexander
AU - Ortiz, C.J.
AU - Sand, Andrea E.
AU - Terentyev, Dmitry
N1 - Score=10
PY - 2018
Y1 - 2018
N2 - We upgrade our object kinetic Monte Carlo (OKMC) model, aimed at describing the microstructural evolution in tungsten (W) under neutron and ion irradiation. Two main improvements are proposed based on recently published atomistic data: (a) interstitial carbon impurities, and their interaction with radiation-induced defects (point defect clusters and loops), are more accurately parameterized thanks to ab initio findings; (b) W transmutation to rhenium (Re) upon neutron irradiation, impacting the diffusivity of radiation defects, is included, also relying on recent atomistic data. These essential amendments highly improve the portability of our OKMC model, providing a description for the formation of SIA-type loops under different irradiation conditions. The model is applied to simulate neutron and ion irradiation in pure W samples, in a wide range of fluxes and temperatures. We demonstrate that it performs a realistic prediction of the population of TEM-visible voids and loops, as compared to experimental evidence. The impact of the transmutation of W to Re, and of carbon trapping, is assessed.
AB - We upgrade our object kinetic Monte Carlo (OKMC) model, aimed at describing the microstructural evolution in tungsten (W) under neutron and ion irradiation. Two main improvements are proposed based on recently published atomistic data: (a) interstitial carbon impurities, and their interaction with radiation-induced defects (point defect clusters and loops), are more accurately parameterized thanks to ab initio findings; (b) W transmutation to rhenium (Re) upon neutron irradiation, impacting the diffusivity of radiation defects, is included, also relying on recent atomistic data. These essential amendments highly improve the portability of our OKMC model, providing a description for the formation of SIA-type loops under different irradiation conditions. The model is applied to simulate neutron and ion irradiation in pure W samples, in a wide range of fluxes and temperatures. We demonstrate that it performs a realistic prediction of the population of TEM-visible voids and loops, as compared to experimental evidence. The impact of the transmutation of W to Re, and of carbon trapping, is assessed.
KW - Carbon impurities
KW - Experimental evidence
KW - Interstitial carbons
KW - Irradiation conditions
KW - Kinetic Monte Carlo
KW - Kinetic Monte Carlo model
KW - Point defect clusters
KW - Radiation induced defects
UR - http://ecm.sckcen.be/OTCS/llisapi.dll?func=ll&objId=28558026&objaction=overview&tab=1
U2 - 10.1016/j.jnucmat.2017.12.014
DO - 10.1016/j.jnucmat.2017.12.014
M3 - Article
SN - 0022-3115
VL - 500
SP - 15
EP - 25
JO - Journal of Nuclear Materials
JF - Journal of Nuclear Materials
ER -