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- W798504883 abstract "The tendency for nitrogen deficiency in cubic Cr-Mo-N and Cr-W-N solid solutions is predicted by a comprehensive evaluation of the lattice spacing, mixing thermodynamics, and elastic properties using first-principles calculations and experimentally confirmed by means of X-ray diffraction. A major conclusion is that these systems exhibit significant amount of N vacancies whose amount scales linearly with the TM content, hence making the Cr1-xTMxN1-0.5x chemical formula more precise and informative to describe the chemical composition of cubic Cr-Mo-N and Cr-W-N solid solutions as compared with the conventionally used Cr1-xTMxN. The cubic Cr1-xMoxN1-0.5x and Cr1-xWxN1-0.5x solid solutions exhibit large positive mixing enthalpies towards isostructural phase decomposition into cubic B1-CrN and {gamma}-Mo2N or {gamma}-W2N, respectively. Their ductility increases with increasing Mo or W content and both systems exhibit significantly direction-dependent Young's moduli over the entire composition range, even when using the approach to study their polycrystalline behavior. The excellent agreement between experimentally obtained lattice parameters, Mo- and W-dependent nitrogen content, elastic properties and their calculated values for our model descriptions, Cr1-xMoxN1-0.5x and Cr1-xWxN1-0.5x, allows to understand these complex material systems. Based on our results, we can conclude that their content of nitrogen vacancies scales with half of the alloying content Mo or W." @default.
- W798504883 created "2016-06-24" @default.
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- W798504883 date "2015-07-09" @default.
- W798504883 modified "2023-09-23" @default.
- W798504883 title "Structural and mechanical properties of nitrogen-deficient cubic Cr-Mo-N and Cr-W-N systems" @default.
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- W798504883 doi "https://doi.org/10.48550/arxiv.1507.02738" @default.
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