TY - JOUR
T1 - Contribution of di-SIA to mass transport in Fe-Cr alloys
AU - Terentyev, Dmitry
AU - Ryabov, Vyacheslav A.
AU - Pechenkin, Valery A.
AU - Molodtsov, V.L.
N1 - Score=10
PY - 2016/4/15
Y1 - 2016/4/15
N2 - Molecular dynamics simulations have been performed to study the diffusion characteristics of di-self interstitial atom (di-SIA) in BCC FeeCr alloys and corresponding mass transport of Fe and Cratoms in the temperature range 600e1000 K in the alloys with Cr content 5e25 at%, which is relevant for ferritic/martensitic steels. An original treatment is proposed in this work to account for a mixed migration mode composed of the diffusion of the cluster itself and break-up into a pair of independent SIAs. The ratio of self-diffusion coefficients of Cr and Fe is found to exceed unity in Fee5Cr and Fee10Cr alloys, which implies that under cascade-producing damage, 3D-migrating small SIA clusters will effectively contribute to the segregation of Cr to neutral and SIA-preferential sinks, eventually causing radiation induced segregation.
AB - Molecular dynamics simulations have been performed to study the diffusion characteristics of di-self interstitial atom (di-SIA) in BCC FeeCr alloys and corresponding mass transport of Fe and Cratoms in the temperature range 600e1000 K in the alloys with Cr content 5e25 at%, which is relevant for ferritic/martensitic steels. An original treatment is proposed in this work to account for a mixed migration mode composed of the diffusion of the cluster itself and break-up into a pair of independent SIAs. The ratio of self-diffusion coefficients of Cr and Fe is found to exceed unity in Fee5Cr and Fee10Cr alloys, which implies that under cascade-producing damage, 3D-migrating small SIA clusters will effectively contribute to the segregation of Cr to neutral and SIA-preferential sinks, eventually causing radiation induced segregation.
KW - SIA
KW - Mass
KW - transport
KW - Fe-CR alloys
UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/22132169
U2 - 10.1016/j.jnucmat.2016.01.025
DO - 10.1016/j.jnucmat.2016.01.025
M3 - Article
SN - 0022-3115
VL - 472
SP - 43
EP - 46
JO - Journal of Nuclear Materials
JF - Journal of Nuclear Materials
ER -