Contribution of di-SIA to mass transport in Fe-Cr alloys

Dmitry Terentyev; Vyacheslav A. Ryabov; Valery A. Pechenkin; V.L. Molodtsov

doi:10.1016/j.jnucmat.2016.01.025

Contribution of di-SIA to mass transport in Fe-Cr alloys

Dmitry Terentyev, Vyacheslav A. Ryabov, Valery A. Pechenkin, V.L. Molodtsov

Research output › peer-review

Abstract

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.

Original language	English
Pages (from-to)	43-46
Journal	Journal of Nuclear Materials
Volume	472
DOIs	https://doi.org/10.1016/j.jnucmat.2016.01.025
State	Published - 15 Apr 2016

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Cite this

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title = "Contribution of di-SIA to mass transport in Fe-Cr alloys",

abstract = "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.",

keywords = "SIA, Mass , transport, Fe-CR alloys",

author = "Dmitry Terentyev and Ryabov, {Vyacheslav A.} and Pechenkin, {Valery A.} and V.L. Molodtsov",

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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

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JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

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