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Ideal strength of r...
Ideal strength of random alloys from first principles
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- Li, Xiaoqing (author)
- KTH,Tillämpad materialfysik
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- Schönecker, Stephan (author)
- KTH,Tillämpad materialfysik
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Zhao, Jijun (author)
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- Johansson, Börje (author)
- Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori
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- Vitos, Levente (author)
- Uppsala universitet,KTH,Tillämpad materialfysik,Materialteori
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(creator_code:org_t)
- American Physical Society, 2013
- 2013
- English.
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In: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X. ; 87:21, s. 214203-
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Subject headings
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- The all-electron exact muffin-tin orbitals method in combination with the coherent-potential approximation was employed to investigate the ideal tensile strengths of elemental V and Mo solids, and V-and Mo-based random solid solutions. Under uniaxial [001] tensile loading, the ideal tensile strength of V is 11.6 GPa and the lattice fails by shear. Assuming isotropic Poisson contraction, the ideal tensile strengths are 26.7 and 37.6 GPa for V in the [111] and [110] directions, respectively. The ideal strength of Mo is 26.7 GPa in the [001] direction and decreases when a few percent of Tc is introduced in Mo. For the V-based alloys, Cr increases and Ti decreases the ideal tensile strength in all principal directions. Adding the same concentration of Cr and Ti to V leads to ternary alloys with similar ideal strength values as that of pure V. The alloying effects on the ideal strength are explained using the electronic band structure.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- Vanadium-Base Alloys
- Theoretical Tensile-Strength
- Cubic Transition-Metals
- Ab-Initio Calculations
- Mechanical-Properties
- Elastic-Constants
- Temperature-Dependence
- Fusion Applications
- Bcc Metals
- Stability
Publication and Content Type
- ref (subject category)
- art (subject category)
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