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DEscribing and Characterizing grain boundaries In Zr-Nb Alloys

Project description

How niobium alloys affect nuclear reactor safety and performance

Stress corrosion and the growth of cladding materials in nuclear reactors are important areas of study because they affect the safety and efficiency of nuclear power. Material deterioration under irradiation is influenced by point defects and grain boundaries. Funded by the Marie Skłodowska-Curie Actions programme, the DECIZA project aims to generate, classify and characterise grain boundaries in zirconium alloys using atomic-scale modelling tools. Another goal is to investigate how niobium affects zirconium alloys. This includes examining how niobium distributes near grain boundaries and how this distribution influences the material’s deformation behaviour. A statistical analysis will be conducted on the numerical data to correlate grain boundary properties with relevant descriptors.

Objective

Stress corrosion and macroscopic growth of cladding materials used in nuclear reactors are topics of technological interest, as the reduction in CO2 and use of green energy is one of the core objectives of the European Union. Under irradiation, material deterioration is influenced by point defects produced in large quantity and grain boundaries (GBs). In this context, investigating their interactions is of fundamental importance, which implies identifying the nature of the GBs. Therefore, in this project, the main objective will be to generate, classify and characterize GBs in zirconium alloys used as cladding tubes by resorting to relevant modelling tools at the atomic scale (molecular statics and dynamics), since this type of information is lacking for zirconium alloys and is difficult to obtain experimentally. A second goal of the project will be the specific study of the Nb alloying effect due to the technological interest of this element, through (i) the determination of its segregation energy and tendency in the vicinity of the GBs, and (ii) the influence of its GB segregation on the deformation mechanisms of zirconium alloys. Due to the expected large amount of numerical data generated mainly due to the multiplicity of the GBs investigated, a statistical analysis will be performed to assess the relevance of the descriptors used to characterize the GBs and to establish correlations with the GB properties.

Fields of science (EuroSciVoc)

Keywords

Programme(s)

Topic(s)

Funding Scheme

HORIZON-TMA-MSCA-PF-EF - HORIZON TMA MSCA Postdoctoral Fellowships - European Fellowships

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Call for proposal

(opens in new window) HORIZON-MSCA-2023-PF-01

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Coordinator

CENTRALE LILLE INSTITUT
Net EU contribution
€ 211 754,88
Address
CITE SCIENTIFIQUE, BOULEVARD PAUL LANGEVIN
59651 Villeneuve D Ascq Cedex
France
Region
Hauts-de-France Nord-Pas de Calais Nord
Activity type
Higher or Secondary Education Establishments
Links
Total cost
No data