A new theoretical superstoichiometric hard $TiN_x$ crystal

Edward Y. Villegas; Mario Vélez

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arXiv · 1402.6729

A new theoretical superstoichiometric hard $TiN_x$ crystal

Edward Y. Villegas·Mario Vélez

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Abstract

In this article we present the application of a \textit{ab initio} methodology to design new hard materials with crystal behavior. In special, we applied this methodology in the search of new materials of the $TiN_x$ family. This search will find a set of structures super-stoichiometrics $Ti_3N_4$ and properties of the candidate to greatest hardness are evaluated. Hardness model used in this work is described by Anton\'in Simunek and Jir\'i Vack\'ar (2006).

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Edward Y. Villegas, Mario Vélez. 2014-02-26. A new theoretical superstoichiometric hard $TiN_x$ crystal. https://arxiv.org/abs/1402.6729

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