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Deformation plasticity mechanisms in alloys and compounds may unveil thematerial capacity towards optimal mechanical properties. We conduct a series ofmolecular dynamics (MD) simulations to investigate plasticity mechanisms due tonanoindentation in pure tungsten, molybdenum and vanadium body-centered cubicsingle crystals, as well as the also body-centered cubic, equiatomic, randomsolid solutions (RSS) of tungsten--molybdenum and tungsten--vanadium alloys.Our analysis focuses on a thorough, side-by-side comparison of dynamicdeformation processes, defect nucleation, and evolution, along withcorresponding stress--strain curves. We also check the surface morphology ofindented samples through atomic shear strain mapping. As expected, the presenceof Mo and V atoms in W matrices introduces lattice strain and distortion,increasing material resistance to deformation and slowing down dislocationmobility of dislocation loops with a Burgers vector of 1/2 $\langle 111\rangle$. Our side-by-side comparison displays a remarkable suppression of theplastic zone size in equiatomic W--V RSS, but not in equiatomic W--Mo RSSalloys, displaying a clear prediction for optimal hardening response equiatomicW--V RSS alloys. If the small-depth nanoindentation plastic response isindicative of overall mechanical performance, it is possible to conceive anovel MD-based pathway towards material design for mechanical applications incomplex, multi-component alloys.

Plastic deformation mechanisms during nanoindentation of W, Mo, V  body-centered cubic single crystals and their corresponding W-Mo, W-V  equiatomic random solid solutions