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Mechanical properti...
Mechanical properties and defective effects of bcc V-4Cr-4Ti and V-5Cr-5Ti alloys by first-principles simulations
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Li, Xiaoqing (author)
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Zhang, Chong (author)
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Zhao, Jijun (author)
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- Johansson, Börje (author)
- KTH,Tillämpad materialfysik
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(creator_code:org_t)
- Elsevier BV, 2011
- 2011
- English.
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In: Computational materials science. - : Elsevier BV. - 0927-0256 .- 1879-0801. ; 50:9, s. 2727-2731
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- V-(4-5) wt.% Cr-(4-5) wt.% Ti alloys are important candidate structural materials for the first-wall and blanket in future fusion reactor. Thus it is necessary to study the fundamental mechanical properties and the irradiation effects of the V-based alloys. Within a random solid solution model, the elastic constants and ideal strength of the V-4Cr-4Ti and the V-5Cr-5Ti alloys were calculated and compared with those of pure V solid. According to the theoretical Cauchy pressure and the ratio of bulk modulus and shear modulus, both alloys exhibit good ductility. Within the 250-atom supercell, inclusion of one vacancy defect or one interstitial H (He) atom will further enhance the ductility of these alloys.
Keyword
- VANADIUM-BASE ALLOYS
- AUGMENTED-WAVE METHOD
- STRUCTURAL MATERIAL
- FUSION APPLICATIONS
- ELASTIC-CONSTANTS
- TEMPERATURE-DEPENDENCE
- IRRADIATION
- REACTORS
- TENSILE
- TRANSITION
- TECHNOLOGY
- TEKNIKVETENSKAP
Publication and Content Type
- ref (subject category)
- art (subject category)
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