Hardness characterization parameters of NIOBIUM CARBIDE (cas 12011-99-3) and Niobium Nitride: A first principles study

Add time:07/27/2019    Source:sciencedirect.com

NIOBIUM CARBIDE (cas 12011-99-3)s and nitrides have been proposed as potential candidates for hardness and related applications, however, comprehensive studies are still needed for better understanding that may pave way for their re-engineering for the ultra hard industry. Here we present ab initio Density Functional Theory calculations that provide a comprehensive description of various hardness characterization parameters. Our results show that NbC in rocksalt (RS) had a higher shear modulus, Young's modulus, and Voigt-Reuss-Hill shear modulus compared to other phases of NbC and NbN considered in this work. Further, it was noted that NbC in RS had a higher value of Vickers hardness amongst the various phases NbC and NbN studied, thus identified as a potential candidate for hardness and related application. Finally, we showed that compounds with Vickers hardness (Hv) > 20 GPa were found to be brittle while those with Hv < 20 GPa were ductile.

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