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Ab-initio investigation of mechanical and fracture-related properties of W-Re σ and χ precipitates
Lund Institute of Technology.ORCID iD: 0000-0001-7953-4483
Lund Institute of Technology.ORCID iD: 0000-0002-7287-9937
Lund Institute of Technology.
Malmö University, Faculty of Technology and Society (TS), Department of Materials Science and Applied Mathematics (MTM). Division of Mechanics, Materials & Components, Lund University, Box 118, SE-221 00 Lund, Sweden.ORCID iD: 0000-0002-7606-1673
2023 (English)In: Journal of Nuclear Materials, ISSN 0022-3115, E-ISSN 1873-4820, Vol. 577, article id 154261Article in journal (Refereed) Published
Abstract [en]

Tungsten (W) is a leading candidate for plasma-facing materials in fusion reactors. Recently, experiments have shown that during neutron irradiation, W and its transmutation products, mainly rhenium (Re),will form precipitates of the σ and χ types. This study identifies close-packed planes of the σ - and χ-phases in the W-Re system and uses ab-initio methods to identify mechanical properties such as elasticconstants, generalized stacking fault energies (GSFE), and fracture toughness associated with brittle andductile mechanisms. By utilizing a sublattice model we demonstrate how these properties depend onthe Re content. For Re concentrations in the range where the σ - and χ-phases are stable, we find aweak dependency on the Re content, meaning that the elemental composition has little influence on the mechanical and fracture-related properties.

Place, publisher, year, edition, pages
Elsevier, 2023. Vol. 577, article id 154261
Keywords [en]
Tungsten, Elastic properties, GSFE, Fracture toughness, Frank-Kasper phases, DFT
National Category
Condensed Matter Physics Metallurgy and Metallic Materials Applied Mechanics
Identifiers
URN: urn:nbn:se:mau:diva-57929DOI: 10.1016/j.jnucmat.2023.154261ISI: 000926101900001Scopus ID: 2-s2.0-85147089895OAI: oai:DiVA.org:mau-57929DiVA, id: diva2:1732414
Funder
Swedish Research Council, 2016-04162Swedish Research Council, 2018-04348Available from: 2023-01-31 Created: 2023-01-31 Last updated: 2024-06-17Bibliographically approved

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Vesti, AndersHiremath, PraveenkumarOlsson, Pär A. T.
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