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• W2068204092 abstract "Toughness, besides hardness, is one of the most important properties of wear-resistant coatings. We use ab initio density-functional theory calculations to investigate the mechanical properties of ternary metal nitrides ${text{Ti}}_{x}{M}_{1ensuremath{-}x}text{N}$, with $M=text{Mo}$ and W, for $x=0.5$. Results show that Mo and W alloying significantly enhances the toughness of TiN. The electronic mechanism responsible for this improvement, as revealed by electronic structure calculations, stems from the changes in charge density induced by the additional transition-metal atom. This leads to the formation of a layered electronic arrangement, characterized by strong, respectively, weak, directional bonding, which enables a selective response to strain, respectively, shear, deformations of the structures and yields up to 60% decrease in ${C}_{44}$ values." @default.
• W2068204092 created "2016-06-24" @default.
• W2068204092 creator A5008411200 @default.
• W2068204092 creator A5024490257 @default.
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• W2068204092 date "2010-03-15" @default.
• W2068204092 modified "2023-10-09" @default.
• W2068204092 title "Electronic mechanism for toughness enhancement in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mtext>Ti</mml:mtext></mml:mrow><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi>M</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:mtext>N</mml:mtext></mml:mrow></mml:math>(<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi>M</mml:mi><mml:mo>=</mml:mo…" @default.
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• W2068204092 doi "https://doi.org/10.1103/physrevb.81.104107" @default.
• W2068204092 hasPublicationYear "2010" @default.
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