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Ideal Strength of Random Alloys from First-principles Theory by Li, Xiaoqing; Schönecker, Stephan; Zhao, Jijun; Johansson, Börje; Vitos, Levente is a scholarly article available to read on EtoBox.

What is Ideal Strength of Random Alloys from First-principles Theory about?

The all-electron exact muffin-tin orbitals method in combination with the coherent-potential appproximation has been employed to investigate the ideal tensile strengths of elemental V, Mo solids and V- and Mo-based random solid solutions. The present ideal tensile strengths, calculated assuming isotropic Poisson contraction, are 16.1, 26.7 and 37.6 GPa for bcc V in the [001], [111] and [110] directions, respectively, and 26.7 GPa for bcc Mo in the [001] direction, which are all in good agreement with the available theoretical data. When a few percent Tc is introduced in Mo, it is found that the ideal strength decreases in the [001] direction. 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 is explained using the electronic band structure.

Author

Li, Xiaoqing; Schönecker, Stephan; Zhao, Jijun; Johansson, Börje; Vitos, Levente

Published

2013

Language

EN