Ideal strength of random alloys from first principles

• 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.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

Vanadium-Base Alloys

Theoretical Tensile-Strength

Cubic Transition-Metals

Ab-Initio Calculations

Mechanical-Properties

Elastic-Constants

Temperature-Dependence

Fusion Applications

Bcc Metals

Stability

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