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Elastic properties of vanadium-based alloys from first-principles theory
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2012 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 86, no 1, 014105- p.Article in journal (Refereed) Published
Abstract [en]

The effect of Cr and Ti on the fundamental mechanical properties of V-Cr-Ti alloys has been investigated using the all-electron exact muffin-tin orbitals method in combination with the coherent-potential approximation. The static lattice constant and elastic parameters have been calculated for the body-centered-cubic V1-x-yCrxTiy (0 <= x,y <= 0.1) random solid solution as a function of composition. Our theoretical predictions are in good agreement with the available experimental data. Alloys along the equicomposition region are found to exhibit the largest shear and Young's modulus as a result of the opposite alloying effects obtained for the two cubic shear elastic constants. The classical solid-solution hardening (SSH) model predicts larger strengthening effect in V1-yTiy than in V1-xCrx. By considering a phenomenological expression for the ductile-brittle transition temperature (DBTT) in terms of Peierls stress and SSH, it is shown that the present theoretical results can account for the variations of DBTT with composition.

Place, publisher, year, edition, pages
2012. Vol. 86, no 1, 014105- p.
National Category
Physical Sciences
URN: urn:nbn:se:uu:diva-179021DOI: 10.1103/PhysRevB.86.014105ISI: 000306308100002OAI: oai:DiVA.org:uu-179021DiVA: diva2:543104
Available from: 2012-08-06 Created: 2012-08-06 Last updated: 2012-08-06Bibliographically approved

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Johansson, BörjeVitos, Levente
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Materials Theory
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