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Ideal strength of random alloys from first principles
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
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2013 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 87, no 21, 214203- p.Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2013. Vol. 87, no 21, 214203- p.
National Category
Engineering and Technology
URN: urn:nbn:se:uu:diva-204276DOI: 10.1103/PhysRevB.87.214203ISI: 000321060500002OAI: oai:DiVA.org:uu-204276DiVA: diva2:638383
Available from: 2013-07-30 Created: 2013-07-29 Last updated: 2013-07-30Bibliographically approved

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Johansson, BorjeVitos, Levente
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