Ab-initio investigation of mechanical and fracture-related properties of W-Re σ and χ precipitates
(2023) In Journal of Nuclear Materials 577.- Abstract
- 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 elastic constants, generalized stacking fault energies (GSFE), and fracture toughness associated with brittle and ductile mechanisms. By utilizing a sublattice model we demonstrate how these properties depend on the Re content. For Re concentrations in the range where the σ - and χ-phases are table, we find a weak dependency on the Re content,... (More)
- 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 elastic constants, generalized stacking fault energies (GSFE), and fracture toughness associated with brittle and ductile mechanisms. By utilizing a sublattice model we demonstrate how these properties depend on the Re content. For Re concentrations in the range where the σ - and χ-phases are table, we find a weak dependency on the Re content, meaning that the elemental composition has little influence on the mechanical and fracture-related properties. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/177c8474-8803-42a9-b064-701c650e271b
- author
- Vesti, Anders LU ; Hiremath, Praveenkumar LU ; Melin, Solveig LU and Olsson, Pär LU
- organization
- publishing date
- 2023-01-10
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Tungsten, elastic properties, GSFE, Fracture tough, Frank-Kasper phases, DFT
- in
- Journal of Nuclear Materials
- volume
- 577
- article number
- 154261
- pages
- 13 pages
- publisher
- Elsevier
- external identifiers
-
- scopus:85147089895
- ISSN
- 0022-3115
- DOI
- 10.1016/j.jnucmat.2023.154261
- language
- English
- LU publication?
- yes
- id
- 177c8474-8803-42a9-b064-701c650e271b
- date added to LUP
- 2023-01-31 09:29:54
- date last changed
- 2024-03-20 23:34:17
@article{177c8474-8803-42a9-b064-701c650e271b, abstract = {{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 elastic constants, generalized stacking fault energies (GSFE), and fracture toughness associated with brittle and ductile mechanisms. By utilizing a sublattice model we demonstrate how these properties depend on the Re content. For Re concentrations in the range where the σ - and χ-phases are table, we find a weak dependency on the Re content, meaning that the elemental composition has little influence on the mechanical and fracture-related properties.}}, author = {{Vesti, Anders and Hiremath, Praveenkumar and Melin, Solveig and Olsson, Pär}}, issn = {{0022-3115}}, keywords = {{Tungsten; elastic properties; GSFE; Fracture tough; Frank-Kasper phases; DFT}}, language = {{eng}}, month = {{01}}, publisher = {{Elsevier}}, series = {{Journal of Nuclear Materials}}, title = {{Ab-initio investigation of mechanical and fracture-related properties of W-Re σ and χ precipitates}}, url = {{http://dx.doi.org/10.1016/j.jnucmat.2023.154261}}, doi = {{10.1016/j.jnucmat.2023.154261}}, volume = {{577}}, year = {{2023}}, }