Simulation of thermal ageing and radiation damage in Fe–Cr

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Simulation of thermal ageing and radiation damage in Fe–Cr. / Wallenius, Janne; Olsson, Pär; Malerba, Lorenzo; Terentyev, Dmitry; Van Dyck, Steven (Peer reviewer); Lucon, Enrico (Peer reviewer).

In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 255, No. 1, 02.2007, p. 68-74.

Research output: Contribution to journalArticlepeer-review

Harvard

Wallenius, J, Olsson, P, Malerba, L, Terentyev, D, Van Dyck, S & Lucon, E 2007, 'Simulation of thermal ageing and radiation damage in Fe–Cr', Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol. 255, no. 1, pp. 68-74. https://doi.org/10.1016/j.nimb.2006.11.063

APA

Wallenius, J., Olsson, P., Malerba, L., Terentyev, D., Van Dyck, S., & Lucon, E. (2007). Simulation of thermal ageing and radiation damage in Fe–Cr. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 255(1), 68-74. https://doi.org/10.1016/j.nimb.2006.11.063

Vancouver

Wallenius J, Olsson P, Malerba L, Terentyev D, Van Dyck S, Lucon E. Simulation of thermal ageing and radiation damage in Fe–Cr. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 2007 Feb;255(1):68-74. https://doi.org/10.1016/j.nimb.2006.11.063

Author

Wallenius, Janne ; Olsson, Pär ; Malerba, Lorenzo ; Terentyev, Dmitry ; Van Dyck, Steven ; Lucon, Enrico. / Simulation of thermal ageing and radiation damage in Fe–Cr. In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 2007 ; Vol. 255, No. 1. pp. 68-74.

Bibtex - Download

@article{54986b87a0444faba203520e03faf997,
title = "Simulation of thermal ageing and radiation damage in Fe–Cr",
abstract = "In recent years substantial progress has been made in the field of multi-scale modelling of radiation damage Fe–Cr alloy. Ab initio calculations have provided a description of point-defect properties for a large number of defect configurations. Empirical potentials for the alloy of EAM and 2nd moment tight binding type have been constructed that reproduce these formation energies, as well as the anomalous shift in sign of mixing enthalpy at a Cr concentration of about 10%. Applying the potentials in simulation of interstitial cluster transport, it has been found that cluster diffusion coefficients have shallow minima corresponding to experimentally measured minima in swelling rates of Fe–Cr alloys. Kinetic Monte Carlo simulation of thermal ageing further show that these potentials correctly reproduce the formation modes of the alpha-prime phase for Cr concentrations above 9%. The present paper is a review of methods used and results achieved within the last couple of years.",
keywords = "Multi-scale modelling, Radiation damage, Fe–Cr",
author = "Janne Wallenius and P{\"a}r Olsson and Lorenzo Malerba and Dmitry Terentyev and {Van Dyck}, Steven and Enrico Lucon",
note = "Score = 10",
year = "2007",
month = feb,
doi = "10.1016/j.nimb.2006.11.063",
language = "English",
volume = "255",
pages = "68--74",
journal = "Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms",
issn = "0168-583X",
publisher = "Elsevier",
number = "1",

}

RIS - Download

TY - JOUR

T1 - Simulation of thermal ageing and radiation damage in Fe–Cr

AU - Wallenius, Janne

AU - Olsson, Pär

AU - Malerba, Lorenzo

AU - Terentyev, Dmitry

A2 - Van Dyck, Steven

A2 - Lucon, Enrico

N1 - Score = 10

PY - 2007/2

Y1 - 2007/2

N2 - In recent years substantial progress has been made in the field of multi-scale modelling of radiation damage Fe–Cr alloy. Ab initio calculations have provided a description of point-defect properties for a large number of defect configurations. Empirical potentials for the alloy of EAM and 2nd moment tight binding type have been constructed that reproduce these formation energies, as well as the anomalous shift in sign of mixing enthalpy at a Cr concentration of about 10%. Applying the potentials in simulation of interstitial cluster transport, it has been found that cluster diffusion coefficients have shallow minima corresponding to experimentally measured minima in swelling rates of Fe–Cr alloys. Kinetic Monte Carlo simulation of thermal ageing further show that these potentials correctly reproduce the formation modes of the alpha-prime phase for Cr concentrations above 9%. The present paper is a review of methods used and results achieved within the last couple of years.

AB - In recent years substantial progress has been made in the field of multi-scale modelling of radiation damage Fe–Cr alloy. Ab initio calculations have provided a description of point-defect properties for a large number of defect configurations. Empirical potentials for the alloy of EAM and 2nd moment tight binding type have been constructed that reproduce these formation energies, as well as the anomalous shift in sign of mixing enthalpy at a Cr concentration of about 10%. Applying the potentials in simulation of interstitial cluster transport, it has been found that cluster diffusion coefficients have shallow minima corresponding to experimentally measured minima in swelling rates of Fe–Cr alloys. Kinetic Monte Carlo simulation of thermal ageing further show that these potentials correctly reproduce the formation modes of the alpha-prime phase for Cr concentrations above 9%. The present paper is a review of methods used and results achieved within the last couple of years.

KW - Multi-scale modelling

KW - Radiation damage

KW - Fe–Cr

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_78060

UR - http://knowledgecentre.sckcen.be/so2/bibref/4144

U2 - 10.1016/j.nimb.2006.11.063

DO - 10.1016/j.nimb.2006.11.063

M3 - Article

VL - 255

SP - 68

EP - 74

JO - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

JF - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

SN - 0168-583X

IS - 1

ER -

ID: 202766