Microchemical effects in irradiated Fe–Cr alloys as revealed by atomistic simulation

Research output: Contribution to journalArticle

Standard

Microchemical effects in irradiated Fe–Cr alloys as revealed by atomistic simulation. / Malerba, Lorenzo; Bonny, Giovanni; Terentyev, Dmitry; Zhurkin, Evgeni; Hou, Marc; Vörtler, Katharina; Nordlund, Kai; Castin, Nicolas (Peer reviewer).

In: Journal of Nuclear Materials, Vol. 442, No. 1-3, 26.10.2013, p. 486-498.

Research output: Contribution to journalArticle

Harvard

Malerba, L, Bonny, G, Terentyev, D, Zhurkin, E, Hou, M, Vörtler, K, Nordlund, K & Castin, N 2013, 'Microchemical effects in irradiated Fe–Cr alloys as revealed by atomistic simulation', Journal of Nuclear Materials, vol. 442, no. 1-3, pp. 486-498. https://doi.org/10.1016/j.jnucmat.2012.12.038

Vancouver

Author

Malerba, Lorenzo ; Bonny, Giovanni ; Terentyev, Dmitry ; Zhurkin, Evgeni ; Hou, Marc ; Vörtler, Katharina ; Nordlund, Kai ; Castin, Nicolas. / Microchemical effects in irradiated Fe–Cr alloys as revealed by atomistic simulation. In: Journal of Nuclear Materials. 2013 ; Vol. 442, No. 1-3. pp. 486-498.

Bibtex - Download

@article{c2a1ecb677014a40a6c2652c77ddaa8f,
title = "Microchemical effects in irradiated Fe–Cr alloys as revealed by atomistic simulation",
abstract = "Neutron irradiation produces evolving nanostructural defects in materials, that affect their macroscopic properties. Defect production and evolution is expected to be influenced by the chemical composition of the material. In turn, the accumulation of defects in the material results in microchemical changes, which may induce further changes in macroscopic properties. In this work we review the results of recent atomic-level simulations conducted in Fe–Cr alloys, as model materials for high-Cr ferritic–martensitic steels, to address the following questions: 1. Is the primary damage produced in displacement cascades influenced by the Cr content? If so, how? 2. Does Cr change the stability of radiation-produced defects? 3. Is the diffusivity of cascade-produced defects changed by Cr content? 4. How do Cr atoms redistribute under irradiation inside the material under the action of thermodynamic driving forces and radiationdefect fluxes?",
keywords = "microchemical evolution, Fe-Cr alloys, atomistic simulations",
author = "Lorenzo Malerba and Giovanni Bonny and Dmitry Terentyev and Evgeni Zhurkin and Marc Hou and Katharina V{\"o}rtler and Kai Nordlund and Nicolas Castin",
note = "Score = 10",
year = "2013",
month = "10",
day = "26",
doi = "10.1016/j.jnucmat.2012.12.038",
language = "English",
volume = "442",
pages = "486--498",
journal = "Journal of Nuclear Materials",
issn = "0022-3115",
publisher = "Elsevier",
number = "1-3",

}

RIS - Download

TY - JOUR

T1 - Microchemical effects in irradiated Fe–Cr alloys as revealed by atomistic simulation

AU - Malerba, Lorenzo

AU - Bonny, Giovanni

AU - Terentyev, Dmitry

AU - Zhurkin, Evgeni

AU - Hou, Marc

AU - Vörtler, Katharina

AU - Nordlund, Kai

A2 - Castin, Nicolas

N1 - Score = 10

PY - 2013/10/26

Y1 - 2013/10/26

N2 - Neutron irradiation produces evolving nanostructural defects in materials, that affect their macroscopic properties. Defect production and evolution is expected to be influenced by the chemical composition of the material. In turn, the accumulation of defects in the material results in microchemical changes, which may induce further changes in macroscopic properties. In this work we review the results of recent atomic-level simulations conducted in Fe–Cr alloys, as model materials for high-Cr ferritic–martensitic steels, to address the following questions: 1. Is the primary damage produced in displacement cascades influenced by the Cr content? If so, how? 2. Does Cr change the stability of radiation-produced defects? 3. Is the diffusivity of cascade-produced defects changed by Cr content? 4. How do Cr atoms redistribute under irradiation inside the material under the action of thermodynamic driving forces and radiationdefect fluxes?

AB - Neutron irradiation produces evolving nanostructural defects in materials, that affect their macroscopic properties. Defect production and evolution is expected to be influenced by the chemical composition of the material. In turn, the accumulation of defects in the material results in microchemical changes, which may induce further changes in macroscopic properties. In this work we review the results of recent atomic-level simulations conducted in Fe–Cr alloys, as model materials for high-Cr ferritic–martensitic steels, to address the following questions: 1. Is the primary damage produced in displacement cascades influenced by the Cr content? If so, how? 2. Does Cr change the stability of radiation-produced defects? 3. Is the diffusivity of cascade-produced defects changed by Cr content? 4. How do Cr atoms redistribute under irradiation inside the material under the action of thermodynamic driving forces and radiationdefect fluxes?

KW - microchemical evolution

KW - Fe-Cr alloys

KW - atomistic simulations

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_131644

UR - http://knowledgecentre.sckcen.be/so2/bibref/10657

U2 - 10.1016/j.jnucmat.2012.12.038

DO - 10.1016/j.jnucmat.2012.12.038

M3 - Article

VL - 442

SP - 486

EP - 498

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

SN - 0022-3115

IS - 1-3

ER -

ID: 371117