Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: Revised Object kinetic Monte Carlo model

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Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: Revised Object kinetic Monte Carlo model. / Chiapetto, Monica; Chiapetto, Monica; Becquart, Charlotte S.; Olsson, Pâr; Malerba, Lorenzo.

In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 393, 06.10.2016, p. 105-109.

Research output: Contribution to journalSpecial issuepeer-review

Harvard

Chiapetto, M, Chiapetto, M, Becquart, CS, Olsson, P & Malerba, L 2016, 'Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: Revised Object kinetic Monte Carlo model', Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol. 393, pp. 105-109. https://doi.org/10.1016/j.nimb.2016.09.025

APA

Chiapetto, M., Chiapetto, M., Becquart, C. S., Olsson, P., & Malerba, L. (2016). Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: Revised Object kinetic Monte Carlo model. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 393, 105-109. https://doi.org/10.1016/j.nimb.2016.09.025

Vancouver

Chiapetto M, Chiapetto M, Becquart CS, Olsson P, Malerba L. Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: Revised Object kinetic Monte Carlo model. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 2016 Oct 6;393:105-109. https://doi.org/10.1016/j.nimb.2016.09.025

Author

Chiapetto, Monica ; Chiapetto, Monica ; Becquart, Charlotte S. ; Olsson, Pâr ; Malerba, Lorenzo. / Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: Revised Object kinetic Monte Carlo model. In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 2016 ; Vol. 393. pp. 105-109.

Bibtex - Download

@article{bc8f32a0d5cb40a199966fa9fe98bd91,
title = "Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: Revised Object kinetic Monte Carlo model",
abstract = "This work presents a revised set of parameters to be used in an Object kinetic Monte Carlo model to simulate the microstructure evolution under neutron irradiation of reactor pressure vessel steels at the operational temperature of light water reactors (300 C). Within a {\textquoteleft}{\textquoteleft}grey-alloy” approach, a more physical description than in a previous work is used to translate the effect of Mn and Ni solute atoms on the defect cluster diffusivity reduction. The slowing down of self-interstitial clusters, due to the interaction between solutes and crowdions in Fe is now parameterized using binding energies from the latest DFT calculations and the solute concentration in the matrix from atom-probe experiments. The mobility of vacancy clusters in the presence of Mn and Ni solute atoms was also modified on the basis of recent DFT results, thereby removing some previous approximations. The same set of parameters was seen to predict the correct microstructure evolution for two different types of alloys, under very different irradiation conditions: an Fe-C-MnNi model alloy, neutron irradiated at a relatively high flux, and a high-Mn, high-Ni RPV steel from the Swedish Ringhals reactor surveillance program. In both cases, the predicted self-interstitial loop density matches the experimental solute cluster density, further corroborating the surmise that the MnNi-rich nanofeatures form by solute enrichment of immobilized small interstitial loops, which are invisible to the electron microscope.",
keywords = "Object kinetic Monte Carlo, RPV steels, Radiation-induced defects, Neutron irradiation",
author = "Monica Chiapetto and Monica Chiapetto and Becquart, {Charlotte S.} and P{\^a}r Olsson and Lorenzo Malerba",
note = "Score=10; 2016 - COSIRES : Computer Simulation of Radiation Effects in Solids ; Conference date: 19-06-2016 Through 24-06-2016",
year = "2016",
month = oct,
day = "6",
doi = "10.1016/j.nimb.2016.09.025",
language = "English",
volume = "393",
pages = "105--109",
journal = "Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms",
issn = "0168-583X",
publisher = "Elsevier",
url = "http://www.cosires2016.co.uk/",

}

RIS - Download

TY - JOUR

T1 - Nanostructure evolution of neutron-irradiated reactor pressure vessel steels: Revised Object kinetic Monte Carlo model

AU - Chiapetto, Monica

AU - Chiapetto, Monica

AU - Becquart, Charlotte S.

AU - Olsson, Pâr

AU - Malerba, Lorenzo

N1 - Score=10

PY - 2016/10/6

Y1 - 2016/10/6

N2 - This work presents a revised set of parameters to be used in an Object kinetic Monte Carlo model to simulate the microstructure evolution under neutron irradiation of reactor pressure vessel steels at the operational temperature of light water reactors (300 C). Within a ‘‘grey-alloy” approach, a more physical description than in a previous work is used to translate the effect of Mn and Ni solute atoms on the defect cluster diffusivity reduction. The slowing down of self-interstitial clusters, due to the interaction between solutes and crowdions in Fe is now parameterized using binding energies from the latest DFT calculations and the solute concentration in the matrix from atom-probe experiments. The mobility of vacancy clusters in the presence of Mn and Ni solute atoms was also modified on the basis of recent DFT results, thereby removing some previous approximations. The same set of parameters was seen to predict the correct microstructure evolution for two different types of alloys, under very different irradiation conditions: an Fe-C-MnNi model alloy, neutron irradiated at a relatively high flux, and a high-Mn, high-Ni RPV steel from the Swedish Ringhals reactor surveillance program. In both cases, the predicted self-interstitial loop density matches the experimental solute cluster density, further corroborating the surmise that the MnNi-rich nanofeatures form by solute enrichment of immobilized small interstitial loops, which are invisible to the electron microscope.

AB - This work presents a revised set of parameters to be used in an Object kinetic Monte Carlo model to simulate the microstructure evolution under neutron irradiation of reactor pressure vessel steels at the operational temperature of light water reactors (300 C). Within a ‘‘grey-alloy” approach, a more physical description than in a previous work is used to translate the effect of Mn and Ni solute atoms on the defect cluster diffusivity reduction. The slowing down of self-interstitial clusters, due to the interaction between solutes and crowdions in Fe is now parameterized using binding energies from the latest DFT calculations and the solute concentration in the matrix from atom-probe experiments. The mobility of vacancy clusters in the presence of Mn and Ni solute atoms was also modified on the basis of recent DFT results, thereby removing some previous approximations. The same set of parameters was seen to predict the correct microstructure evolution for two different types of alloys, under very different irradiation conditions: an Fe-C-MnNi model alloy, neutron irradiated at a relatively high flux, and a high-Mn, high-Ni RPV steel from the Swedish Ringhals reactor surveillance program. In both cases, the predicted self-interstitial loop density matches the experimental solute cluster density, further corroborating the surmise that the MnNi-rich nanofeatures form by solute enrichment of immobilized small interstitial loops, which are invisible to the electron microscope.

KW - Object kinetic Monte Carlo

KW - RPV steels

KW - Radiation-induced defects

KW - Neutron irradiation

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/23018958

U2 - 10.1016/j.nimb.2016.09.025

DO - 10.1016/j.nimb.2016.09.025

M3 - Special issue

VL - 393

SP - 105

EP - 109

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

T2 - 2016 - COSIRES

Y2 - 19 June 2016 through 24 June 2016

ER -

ID: 2352771