Multiscale modelling for fusion and fission materials: The M4F project

Malerba, Lorenzo; Caturla, M.J.; Gaganidze, E.; Kaden, C.; Konstantinović, M.J.; Olsson, Pär; Robertson, C.; Rodney, David; Ruiz‐Moreno, Ana; Serrano, Marta; Aktaa, Jarir; Anento, N.; Austin, Simon A.; Bakaev, A.; Balbuena, J.P.; Bergner, F.; Boioli, Francesca; Boleininger, Max; Bonny, G.; Castin, N.; Chapman, Jacob B. J.; Chekhonin, Paul; Clozel, M.; Devincre, Benoît; Dupuy, L.; Diego, Gonzalo de; Dudarev, S. L.; Fu, Chu‐Chun; Gatti, R; Gélebart, Lionel; Gómez-Ferrer, B.; Gonçalves, Diogo Antunes; Guerrero, C.; Gueye, P-M.; Hähner, P.; Hannula, Simo‐Pekka; Hayat, Qamar; Hernández‐Mayoral, M.; Jagielski, J.; Jennett, N M; Jiménez, Felipe; Kapoor, Garima; Kraych, Antoine; Khvan, T.; Kurpaska, Ł.; Kuronen, Antti; Kvashin, N.; Libera, Ondřej; Ma, Pui-Wai; Manninen, Toni; Marinica, Mihai-Cosmin; Merino, Susana; Meslin, E.; Mompiou, Frédéric; Mota, F.; Namburi, Hygreeva Kiran; Ortiz, C.J.; Pareige, C.; Prester, M.; Rajakrishnan, Roshan R.; Sauzay, Maxime; Serra, A.; Simonovski, Igor; Soisson, Frédéric; Spätig, P.; Tanguy, D.; Terentyev, D.; Trębala, Michał; Trochet, Mickaël; Ulbricht, A.; Vallet, Maxime; Vogel, Kurt W.; Yalçınkaya, Tuncay; Zhao, Junyu

doi:10.1016/j.nme.2021.101051

Cited by 18 publications

(10 citation statements)

References 163 publications

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“…Finally, serious issues of transferability to neutrons exist, because charged particles are injected at higher dose rate, have different energy spectrum, generally produce damage gradients in a limited penetration thickness and often inject foreign species, including impurities [168,170,[199][200][201][202][203][204][205]. Thus, theoretical and modelling work to ensure transferability, and a clear definition of suitable protocols, though already started [206], is still needed in order for charged particles to become fully usable screening tools. Meanwhile, costly neutron irradiations remain necessary for screening, as well.…”

Section: Development Of Optimised or New Materials Solutionsmentioning

confidence: 99%

Materials for Sustainable Nuclear Energy: A European Strategic Research and Innovation Agenda for All Reactor Generations

Malerba

Mazouzi²,

Bertolus

et al. 2022

Energies

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Nuclear energy is presently the single major low-carbon electricity source in Europe and is overall expected to maintain (perhaps eventually even increase) its current installed power from now to 2045. Long-term operation (LTO) is a reality in essentially all nuclear European countries, even when planning to phase out. New builds are planned. Moreover, several European countries, including non-nuclear or phasing out ones, have interests in next generation nuclear systems. In this framework, materials and material science play a crucial role towards safer, more efficient, more economical and overall more sustainable nuclear energy. This paper proposes a research agenda that combines modern digital technologies with materials science practices to pursue a change of paradigm that promotes innovation, equally serving the different nuclear energy interests and positions throughout Europe. This paper chooses to overview structural and fuel materials used in current generation reactors, as well as their wider spectrum for next generation reactors, summarising the relevant issues. Next, it describes the materials science approaches that are common to any nuclear materials (including classes that are not addressed here, such as concrete, polymers and functional materials), identifying for each of them a research agenda goal. It is concluded that among these goals are the development of structured materials qualification test-beds and materials acceleration platforms (MAPs) for materials that operate under harsh conditions. Another goal is the development of multi-parameter-based approaches for materials health monitoring based on different non-destructive examination and testing (NDE&T) techniques. Hybrid models that suitably combine physics-based and data-driven approaches for materials behaviour prediction can valuably support these developments, together with the creation and population of a centralised, “smart” database for nuclear materials.

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Section: Development Of Optimised or New Materials Solutionsmentioning

confidence: 99%

Materials for Sustainable Nuclear Energy: A European Strategic Research and Innovation Agenda for All Reactor Generations

Malerba

Mazouzi²,

Bertolus

et al. 2022

Energies

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“…The rationale of these objectives, reviewing past work and summarizing research pathways and first results of the M4F project, is the subject of reference [36], while the overall results are summarized in its Final Report [37].…”

Section: M4f: Bringing Together Fusion and Fission Materials Communit...mentioning

confidence: 99%

Towards a single European strategic research and innovation agenda on materials for all reactor generations through dedicated projects

Malerba

Agostini

Angiolini

et al. 2022

EPJ Nuclear Sci. Technol.

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The goal of the ORIENT-NM action is to produce a single European strategic vision on research and innovation concerning nuclear materials in the EU, serving all reactor generations and nuclear systems. The key in this endeavour is to focus on advanced materials science practices that, combined with digital techniques, will enable acceleration in materials development, manufacturing, supply, qualification, and monitoring, in support of nuclear energy safety, efficiency, economy and sustainability. The research agenda will be rooted in existing virtuous examples of nuclear materials science projects. Here the results of three of them are summarised, thereby covering different reactor applications and families of materials, as well as a range of advanced material research approaches. GEMMA addressed a number of key areas concerning the development and qualification of metallic structural materials for GenIV reactor conditions, focusing on austenitic steels and their compatibility with several non-aqueous coolants, their welds and the modelling of their stability under irradiation. INSPYRE was an integrated project applying a basic science approach to (U,Pu)O2 fuels, to develop physics-based models for the behaviour of nuclear fuels under irradiation and improve fuel performance codes. Modelling was also the focus of the M4F project, which brought together the fission and fusion materials communities to study the effects of localised deformation under irradiation in ferritic/martensitic steels and to develop good practices to use ion irradiation as a tool to evaluate radiation effects on materials.

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“…Moreover, both enrichment and depletion of Cr at grain boundaries are observed in experiments [17]. A detailed study of the described phenomena requires the development of theoretical models using the methods of multiscale computer simulation [18]. To carry out such modeling, first of all, data on the diffusion characteristics of point defects and elements of the alloy are needed.…”

Section: Introductionmentioning

confidence: 99%

MD simulation of vacancy and interstitial diffusion in FeCr alloy

Тихончев

2023

Phys. Scr.

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The diffusion mobility of iron and chromium atoms in Fe-9%Cr and Fe-20%Cr alloys for temperature up to 1000 K has been studied by molecular dynamics simulation. Both vacancy and interstitial migration of atoms has been considered. Corresponding diffusion coefficients of iron and chromium atoms, as well as the diffusion coefficients of a vacancy and self-interstitial configuration, have been evaluated. The values obtained for the vacancy diffusion satisfactory agree with experimental results taken from the literature.

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Multiscale modelling for fusion and fission materials: The M4F project

Cited by 18 publications

References 163 publications

Materials for Sustainable Nuclear Energy: A European Strategic Research and Innovation Agenda for All Reactor Generations

Materials for Sustainable Nuclear Energy: A European Strategic Research and Innovation Agenda for All Reactor Generations

Towards a single European strategic research and innovation agenda on materials for all reactor generations through dedicated projects

MD simulation of vacancy and interstitial diffusion in FeCr alloy

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