A new theoretical superstoichiometric hard $TiN_x$ crystal
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 Antonín Simunek and Jirí Vackár (2006).
cond-mat.mtrl-sci↗