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Superlattice Supertoughness Of TiN/MN (M = V, Nb, Ta, Mo, And W): First-principles Study

Hai Wang, Huazhi Zeng, Qingkun Li, Jun Shen
Published 2016 · Materials Science

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Abstract In this study, a supertoughness effect is predicted through systematic first-principle calculations on structures and mechanical properties of transition metal nitride superlattices TiN/MN (M = V, Nb, Ta, Mo, and W). The TiN/WN superlattice has an in-plane Cauchy pressure as high as 296 GPa, which is 348% larger than that in Ti0.5W0.5N solid solutions. Supertoughness is also significantly affected by the coupling between macro- and micro-distortions in addition to previously reported valence electron concentration and atomic ordering effects. Present results indicate a route to develop superhard and supertough superlattice coatings.
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