Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe

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Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe. / Malerba, Lorenzo; Anento, Napoleon; Balbuena, J.P.; Becquart, C. S.; Castin, Nicolas; Caturla, Maria José; Domain, Christophe; Guerrero, C.; Ortiz, C.J.; Pannier, B.; Serra, Anna.

In: Nuclear Materials and Energy, Vol. 29, 101069, 2021, p. 1-27.

Research output: Contribution to journalArticlepeer-review

Harvard

Malerba, L, Anento, N, Balbuena, JP, Becquart, CS, Castin, N, Caturla, MJ, Domain, C, Guerrero, C, Ortiz, CJ, Pannier, B & Serra, A 2021, 'Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe', Nuclear Materials and Energy, vol. 29, 101069, pp. 1-27. https://doi.org/10.1016/j.nme.2021.101069

APA

Malerba, L., Anento, N., Balbuena, J. P., Becquart, C. S., Castin, N., Caturla, M. J., Domain, C., Guerrero, C., Ortiz, C. J., Pannier, B., & Serra, A. (2021). Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe. Nuclear Materials and Energy, 29, 1-27. [101069]. https://doi.org/10.1016/j.nme.2021.101069

Vancouver

Malerba L, Anento N, Balbuena JP, Becquart CS, Castin N, Caturla MJ et al. Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe. Nuclear Materials and Energy. 2021;29:1-27. 101069. https://doi.org/10.1016/j.nme.2021.101069

Author

Malerba, Lorenzo ; Anento, Napoleon ; Balbuena, J.P. ; Becquart, C. S. ; Castin, Nicolas ; Caturla, Maria José ; Domain, Christophe ; Guerrero, C. ; Ortiz, C.J. ; Pannier, B. ; Serra, Anna. / Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe. In: Nuclear Materials and Energy. 2021 ; Vol. 29. pp. 1-27.

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@article{1cba8c32f8c746de9dd7d43e9c66142c,
title = "Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe",
abstract = "This paper is the first of three that overview the main mechanisms that drive the microstructure evolution in Fe alloys under irradiation. It focuses on pure α-Fe and compiles the parameters that describe quantitatively the mobility and stability of point-defects and especially their clusters, including possible reactions and criteria to decide when they should react. These parameters are the result of several years of calculations and application in microstructure evolution models. They are mainly collected from the literature and the parameter choice tries to reconcile different sets of values that, while being in general qualitatively similar, are often quantitatively not coincident. A few calculation results are presented here for the first time to support specific approximations concerning defect properties or features. Since calculations cannot cover all possible defect configurations, the definition of these parameters often requires educated guesses to fill knowledge gaps. These guesses are here listed and discussed whenever relevant. This is therefore a “hands-on” paper that: (i) collects in a single report most microstructure evolution parameters that are found in the literature for irradiated α-Fe, including a discussion of the most important mechanisms at play based on current knowledge; (ii) selects a ready-to-use set that can be employed in microstructure evolution models, such as those based on object kinetic Monte Carlo (OKMC) methods. This work also identifies parameters that are needed, but not known, hopefully prompting corresponding calculations in the future.",
keywords = "Microstructure evolution, Irradiation, Iron, Defect properties, Overview",
author = "Lorenzo Malerba and Napoleon Anento and J.P. Balbuena and Becquart, {C. S.} and Nicolas Castin and Caturla, {Maria Jos{\'e}} and Christophe Domain and C. Guerrero and C.J. Ortiz and B. Pannier and Anna Serra",
note = "Score=10",
year = "2021",
doi = "10.1016/j.nme.2021.101069",
language = "English",
volume = "29",
pages = "1--27",
journal = "Nuclear Materials and Energy",
issn = "2352-1791",
publisher = "Elsevier",

}

RIS - Download

TY - JOUR

T1 - Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe

AU - Malerba, Lorenzo

AU - Anento, Napoleon

AU - Balbuena, J.P.

AU - Becquart, C. S.

AU - Castin, Nicolas

AU - Caturla, Maria José

AU - Domain, Christophe

AU - Guerrero, C.

AU - Ortiz, C.J.

AU - Pannier, B.

AU - Serra, Anna

N1 - Score=10

PY - 2021

Y1 - 2021

N2 - This paper is the first of three that overview the main mechanisms that drive the microstructure evolution in Fe alloys under irradiation. It focuses on pure α-Fe and compiles the parameters that describe quantitatively the mobility and stability of point-defects and especially their clusters, including possible reactions and criteria to decide when they should react. These parameters are the result of several years of calculations and application in microstructure evolution models. They are mainly collected from the literature and the parameter choice tries to reconcile different sets of values that, while being in general qualitatively similar, are often quantitatively not coincident. A few calculation results are presented here for the first time to support specific approximations concerning defect properties or features. Since calculations cannot cover all possible defect configurations, the definition of these parameters often requires educated guesses to fill knowledge gaps. These guesses are here listed and discussed whenever relevant. This is therefore a “hands-on” paper that: (i) collects in a single report most microstructure evolution parameters that are found in the literature for irradiated α-Fe, including a discussion of the most important mechanisms at play based on current knowledge; (ii) selects a ready-to-use set that can be employed in microstructure evolution models, such as those based on object kinetic Monte Carlo (OKMC) methods. This work also identifies parameters that are needed, but not known, hopefully prompting corresponding calculations in the future.

AB - This paper is the first of three that overview the main mechanisms that drive the microstructure evolution in Fe alloys under irradiation. It focuses on pure α-Fe and compiles the parameters that describe quantitatively the mobility and stability of point-defects and especially their clusters, including possible reactions and criteria to decide when they should react. These parameters are the result of several years of calculations and application in microstructure evolution models. They are mainly collected from the literature and the parameter choice tries to reconcile different sets of values that, while being in general qualitatively similar, are often quantitatively not coincident. A few calculation results are presented here for the first time to support specific approximations concerning defect properties or features. Since calculations cannot cover all possible defect configurations, the definition of these parameters often requires educated guesses to fill knowledge gaps. These guesses are here listed and discussed whenever relevant. This is therefore a “hands-on” paper that: (i) collects in a single report most microstructure evolution parameters that are found in the literature for irradiated α-Fe, including a discussion of the most important mechanisms at play based on current knowledge; (ii) selects a ready-to-use set that can be employed in microstructure evolution models, such as those based on object kinetic Monte Carlo (OKMC) methods. This work also identifies parameters that are needed, but not known, hopefully prompting corresponding calculations in the future.

KW - Microstructure evolution

KW - Irradiation

KW - Iron

KW - Defect properties

KW - Overview

UR - https://ecm.sckcen.be/OTCS/llisapi.dll/overview/48430929

U2 - 10.1016/j.nme.2021.101069

DO - 10.1016/j.nme.2021.101069

M3 - Article

VL - 29

SP - 1

EP - 27

JO - Nuclear Materials and Energy

JF - Nuclear Materials and Energy

SN - 2352-1791

M1 - 101069

ER -

ID: 7487938