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Grant: Alliance Grants

University of Waterloo

$118,983.00

Multi-scale modelling of Refractory High-Entropy Alloys materials for Small Modular Reactors

EF 2023-24

Résumé
SMRs are typically anticipated to have an electrical power output of less than 300 MWe (electric) or less than 1000 MWth (thermal). They offer many advantages, such as relatively small physical footprints, reduced capital investment, the ability to be sited in locations not possible for larger nuclear plants, and provisions for incremental power additions. During operation, the reactor pressure vessel material is exposed to high temperatures exceeding 1000°C, radiation, and corrosion, resulting in localized embrittlement of the vessel and welds in the reactor core. As the reactor vessel is considered irreplaceable, these demanding operating environments require the development of new alloy materials that can withstand their increased physical, chemical, thermal, and radiation-related challenges, as well as computational approaches to predict their behavior under operation conditions. High Entropy Alloys (HEAs) are a promising option, due to their composition which can be tuned over a wide range of possibilities to optimize high-temperature mechanical properties, radiation, and corrosion resistance, and obtain improved performances compared to conventional materials. However, current knowledge of HEAs properties is still less advanced compared with conventional alloys, and further studies are needed to assess the opportunities they offer. Refractory HEAs (RHEAs) are of particular interest to the nuclear community due to their retention of mechanical properties at high temperatures, reduced defect production, and resistance to irradiation-induced swelling and hardening. However, the mechanism behind these observations is still not well understood because of the lack of computational. In this regard, the proposed research activity will develop a Phase Field Crystal (PFC) model for HEAs to understand their properties as well as environmental degradation mechanisms. In addition to the design of new materials for the body of the SMRS vessel, our result will provide valuable information that can improve the reliability of systems, structures, and components during normal, abnormal, and long-term operations.
Programme
Alliance Grants
Emplacement
Ontario, Canada
Type de bénéficiaire
Academia
Type
Grant
Source
NSERC's Awards Data

Tel que publié

Application id
580475-2022
Name nom
Tetsassi Feugmo, Conrard Giresse CG
Department département
Chemistry
Organization id
33
Institution établissement
University of Waterloo
Province en
Ontario
Province fr
Ontario
Country en
CANADA
Country fr
CANADA
Fiscal year exercice financier
2023
Competition year année de concours
2022
Award amount
118983
Program id
ALLRP
Program name en
Alliance Grants
Program name fr
Subventions Alliance
Group en
RESEARCH PARTNERSHIPS
Group fr
PARTENARIATS DE RECHERCHE
Committee code
96
Committee name en
RPP Internal Decision Cttee
Committee name fr
Cté de décision interne - PPR
Area of application code
1208
Area of application group en
Advancement of knowledge
Area of application group fr
Avancement des connaissances
Area of application en
Materials sciences
Area of application fr
Sciences des matériaux
Research subject code
2003
Research subject group en
Materials science and technology
Research subject group fr
Metallurgy
Research subject en
Science et technologie des matériaux
Research subject fr
Métallurgie
Application title
Multi-scale modelling of Refractory High-Entropy Alloys materials for Small Modular Reactors
Keyword
corrosion kinetics in metallic mater; Density Function Theory; grain boundary structures; Machine learning; Microstructure evolution; Molecular Dynamics; Phase diagram; Phase-field crystal; Refractory High Entropy Alloys; Small Modular Reactor
Application summary
SMRs are typically anticipated to have an electrical power output of less than 300 MWe (electric) or less than 1000 MWth (thermal). They offer many advantages, such as relatively small physical footprints, reduced capital investment, the ability to be sited in locations not possible for larger nuclear plants, and provisions for incremental power additions. During operation, the reactor pressure vessel material is exposed to high temperatures exceeding 1000°C, radiation, and corrosion, resulting in localized embrittlement of the vessel and welds in the reactor core. As the reactor vessel is considered irreplaceable, these demanding operating environments require the development of new alloy materials that can withstand their increased physical, chemical, thermal, and radiation-related challenges, as well as computational approaches to predict their behavior under operation conditions. High Entropy Alloys (HEAs) are a promising option, due to their composition which can be tuned over a wide range of possibilities to optimize high-temperature mechanical properties, radiation, and corrosion resistance, and obtain improved performances compared to conventional materials. However, current knowledge of HEAs properties is still less advanced compared with conventional alloys, and further studies are needed to assess the opportunities they offer. Refractory HEAs (RHEAs) are of particular interest to the nuclear community due to their retention of mechanical properties at high temperatures, reduced defect production, and resistance to irradiation-induced swelling and hardening. However, the mechanism behind these observations is still not well understood because of the lack of computational. In this regard, the proposed research activity will develop a Phase Field Crystal (PFC) model for HEAs to understand their properties as well as environmental degradation mechanisms. In addition to the design of new materials for the body of the SMRS vessel, our result will provide valuable information that can improve the reliability of systems, structures, and components during normal, abnormal, and long-term operations.