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Multiscale computational study to predict the irradiation-induced change in engineering properties of fusion reactor materials

Salahudeen Mohamed Kunju, Giacomo Po, Rhydian Lewis, Perumal Nithiarasu Orcid Logo

Nuclear Materials and Energy, Volume: 39, Start page: 101647

Swansea University Authors: Salahudeen Mohamed Kunju, Rhydian Lewis, Perumal Nithiarasu Orcid Logo

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DOI (Published version): 10.1016/j.nme.2024.101647

Abstract

In this study, we address the impact of irradiation conditions in a tokamak on the engineering properties of materials, leading to potential degradation of in-vessel components over their lifecycle. Our approach involves a predictive model for irradiation-induced damage, employing a multiscale compu...

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Published in: Nuclear Materials and Energy
ISSN: 2352-1791
Published: Elsevier BV 2024
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URI: https://cronfa.swan.ac.uk/Record/cronfa65935
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Our approach involves a predictive model for irradiation-induced damage, employing a multiscale computational framework. This framework integrates various simulation techniques, including Monte Carlo-based neutronics (OpenMC), dislocation dynamics (DD) using MoDELib, and finite element analysis (FEA) with Code_Aster. This integration offers a versatile solver capable of analysing tokamak components exposed to different irradiation doses and temperature conditions.To showcase the utility of this multiscale computational framework, we present a case study focused on tungsten monoblock designs. We assess the failure probabilities of these designs at different stages of their lifecycle. Neutron heating and damage energy values are obtained from OpenMC neutronics simulations. The neutron heating values serve as volumetric heat sources for the FEA thermal simulation. We calculate the displacement per atom (dpa) across the monoblock at various full power days (day 0, day 100, and day 1000) using the damage energy values. The irradiation-induced defect densities, dependent on temperature and dpa, are inputs to DD microstructural simulations performed on the representative volume element (RVE) using MoDELib. This allows us to obtain the yield stress of the material. Subsequently, the thermal fields from the FEA thermal simulation, along with the dpa and temperature-dependent yield stress from the DD simulation, are implemented for FEA mechanical simulations.To evaluate the failure probability of the monoblock designs at different stages of their lifecycle, we conduct an SDC-IC assessment, incorporating a plastic flow localization rule within the current framework. This comprehensive approach provides insights into the thermo-mechanical behaviour of in-vessel components subjected to neutron irradiation, offering a predictive capability for assessing their performance over time.</abstract><type>Journal Article</type><journal>Nuclear Materials and Energy</journal><volume>39</volume><journalNumber/><paginationStart>101647</paginationStart><paginationEnd/><publisher>Elsevier BV</publisher><placeOfPublication/><isbnPrint/><isbnElectronic/><issnPrint>2352-1791</issnPrint><issnElectronic/><keywords>Neutron irradiation; neutronics; finite element; yield stress; dislocation dynamics; thermo-mechanical behaviour</keywords><publishedDay>1</publishedDay><publishedMonth>6</publishedMonth><publishedYear>2024</publishedYear><publishedDate>2024-06-01</publishedDate><doi>10.1016/j.nme.2024.101647</doi><url/><notes/><college>COLLEGE NANME</college><CollegeCode>COLLEGE CODE</CollegeCode><institution>Swansea University</institution><apcterm>Another institution paid the OA fee</apcterm><funders>This work has been carried out within the framework of the EUROfusion Consortium, funded by the European Union via the Euratom Research and Training Programme (Grant Agreement No 01052200 - EUROfusion). It has also been part funded by EPSRC [grant number EP/R012091/1]. Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European Union or the European Commission. Neither the European Union nor the European Commission can be held responsible for them. We acknowledge the support of the Supercomputing Wales and AccelerateAI projects, which are part-funded by the European Regional Development Fund (ERDF) via Welsh Government.</funders><projectreference/><lastEdited>2024-05-29T16:41:32.6021149</lastEdited><Created>2024-04-03T09:40:57.5940078</Created><path><level id="1">Faculty of Science and Engineering</level><level id="2">School of Engineering and Applied Sciences - Materials Science and Engineering</level></path><authors><author><firstname>Salahudeen</firstname><surname>Mohamed Kunju</surname><order>1</order></author><author><firstname>Giacomo</firstname><surname>Po</surname><order>2</order></author><author><firstname>Rhydian</firstname><surname>Lewis</surname><order>3</order></author><author><firstname>Perumal</firstname><surname>Nithiarasu</surname><orcid>0000-0002-4901-2980</orcid><order>4</order></author></authors><documents><document><filename>65935__30486__e551b26233544c91be0fb3de4f197184.pdf</filename><originalFilename>65935.VoR.pdf</originalFilename><uploaded>2024-05-29T16:38:40.5072596</uploaded><type>Output</type><contentLength>10176586</contentLength><contentType>application/pdf</contentType><version>Version of Record</version><cronfaStatus>true</cronfaStatus><documentNotes>©2024 TheAuthor(s). 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spelling v2 65935 2024-04-03 Multiscale computational study to predict the irradiation-induced change in engineering properties of fusion reactor materials 5b6e20b3d7e307c91e7c2805ddbe0620 Salahudeen Mohamed Kunju Salahudeen Mohamed Kunju true false ba9c094ac037017ba0e41b038888175e Rhydian Lewis Rhydian Lewis true false 3b28bf59358fc2b9bd9a46897dbfc92d 0000-0002-4901-2980 Perumal Nithiarasu Perumal Nithiarasu true false 2024-04-03 In this study, we address the impact of irradiation conditions in a tokamak on the engineering properties of materials, leading to potential degradation of in-vessel components over their lifecycle. Our approach involves a predictive model for irradiation-induced damage, employing a multiscale computational framework. This framework integrates various simulation techniques, including Monte Carlo-based neutronics (OpenMC), dislocation dynamics (DD) using MoDELib, and finite element analysis (FEA) with Code_Aster. This integration offers a versatile solver capable of analysing tokamak components exposed to different irradiation doses and temperature conditions.To showcase the utility of this multiscale computational framework, we present a case study focused on tungsten monoblock designs. We assess the failure probabilities of these designs at different stages of their lifecycle. Neutron heating and damage energy values are obtained from OpenMC neutronics simulations. The neutron heating values serve as volumetric heat sources for the FEA thermal simulation. We calculate the displacement per atom (dpa) across the monoblock at various full power days (day 0, day 100, and day 1000) using the damage energy values. The irradiation-induced defect densities, dependent on temperature and dpa, are inputs to DD microstructural simulations performed on the representative volume element (RVE) using MoDELib. This allows us to obtain the yield stress of the material. Subsequently, the thermal fields from the FEA thermal simulation, along with the dpa and temperature-dependent yield stress from the DD simulation, are implemented for FEA mechanical simulations.To evaluate the failure probability of the monoblock designs at different stages of their lifecycle, we conduct an SDC-IC assessment, incorporating a plastic flow localization rule within the current framework. This comprehensive approach provides insights into the thermo-mechanical behaviour of in-vessel components subjected to neutron irradiation, offering a predictive capability for assessing their performance over time. Journal Article Nuclear Materials and Energy 39 101647 Elsevier BV 2352-1791 Neutron irradiation; neutronics; finite element; yield stress; dislocation dynamics; thermo-mechanical behaviour 1 6 2024 2024-06-01 10.1016/j.nme.2024.101647 COLLEGE NANME COLLEGE CODE Swansea University Another institution paid the OA fee This work has been carried out within the framework of the EUROfusion Consortium, funded by the European Union via the Euratom Research and Training Programme (Grant Agreement No 01052200 - EUROfusion). It has also been part funded by EPSRC [grant number EP/R012091/1]. Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European Union or the European Commission. Neither the European Union nor the European Commission can be held responsible for them. We acknowledge the support of the Supercomputing Wales and AccelerateAI projects, which are part-funded by the European Regional Development Fund (ERDF) via Welsh Government. 2024-05-29T16:41:32.6021149 2024-04-03T09:40:57.5940078 Faculty of Science and Engineering School of Engineering and Applied Sciences - Materials Science and Engineering Salahudeen Mohamed Kunju 1 Giacomo Po 2 Rhydian Lewis 3 Perumal Nithiarasu 0000-0002-4901-2980 4 65935__30486__e551b26233544c91be0fb3de4f197184.pdf 65935.VoR.pdf 2024-05-29T16:38:40.5072596 Output 10176586 application/pdf Version of Record true ©2024 TheAuthor(s). This is an open access article under the CC BY-NC-ND license. true eng http://creativecommons.org/licenses/by-nc-nd/4.0/
title Multiscale computational study to predict the irradiation-induced change in engineering properties of fusion reactor materials
spellingShingle Multiscale computational study to predict the irradiation-induced change in engineering properties of fusion reactor materials
Salahudeen Mohamed Kunju
Rhydian Lewis
Perumal Nithiarasu
title_short Multiscale computational study to predict the irradiation-induced change in engineering properties of fusion reactor materials
title_full Multiscale computational study to predict the irradiation-induced change in engineering properties of fusion reactor materials
title_fullStr Multiscale computational study to predict the irradiation-induced change in engineering properties of fusion reactor materials
title_full_unstemmed Multiscale computational study to predict the irradiation-induced change in engineering properties of fusion reactor materials
title_sort Multiscale computational study to predict the irradiation-induced change in engineering properties of fusion reactor materials
author_id_str_mv 5b6e20b3d7e307c91e7c2805ddbe0620
ba9c094ac037017ba0e41b038888175e
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author_id_fullname_str_mv 5b6e20b3d7e307c91e7c2805ddbe0620_***_Salahudeen Mohamed Kunju
ba9c094ac037017ba0e41b038888175e_***_Rhydian Lewis
3b28bf59358fc2b9bd9a46897dbfc92d_***_Perumal Nithiarasu
author Salahudeen Mohamed Kunju
Rhydian Lewis
Perumal Nithiarasu
author2 Salahudeen Mohamed Kunju
Giacomo Po
Rhydian Lewis
Perumal Nithiarasu
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container_title Nuclear Materials and Energy
container_volume 39
container_start_page 101647
publishDate 2024
institution Swansea University
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doi_str_mv 10.1016/j.nme.2024.101647
publisher Elsevier BV
college_str Faculty of Science and Engineering
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hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Materials Science and Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Materials Science and Engineering
document_store_str 1
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description In this study, we address the impact of irradiation conditions in a tokamak on the engineering properties of materials, leading to potential degradation of in-vessel components over their lifecycle. Our approach involves a predictive model for irradiation-induced damage, employing a multiscale computational framework. This framework integrates various simulation techniques, including Monte Carlo-based neutronics (OpenMC), dislocation dynamics (DD) using MoDELib, and finite element analysis (FEA) with Code_Aster. This integration offers a versatile solver capable of analysing tokamak components exposed to different irradiation doses and temperature conditions.To showcase the utility of this multiscale computational framework, we present a case study focused on tungsten monoblock designs. We assess the failure probabilities of these designs at different stages of their lifecycle. Neutron heating and damage energy values are obtained from OpenMC neutronics simulations. The neutron heating values serve as volumetric heat sources for the FEA thermal simulation. We calculate the displacement per atom (dpa) across the monoblock at various full power days (day 0, day 100, and day 1000) using the damage energy values. The irradiation-induced defect densities, dependent on temperature and dpa, are inputs to DD microstructural simulations performed on the representative volume element (RVE) using MoDELib. This allows us to obtain the yield stress of the material. Subsequently, the thermal fields from the FEA thermal simulation, along with the dpa and temperature-dependent yield stress from the DD simulation, are implemented for FEA mechanical simulations.To evaluate the failure probability of the monoblock designs at different stages of their lifecycle, we conduct an SDC-IC assessment, incorporating a plastic flow localization rule within the current framework. This comprehensive approach provides insights into the thermo-mechanical behaviour of in-vessel components subjected to neutron irradiation, offering a predictive capability for assessing their performance over time.
published_date 2024-06-01T16:41:30Z
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