A new theoretical superstoichiometric hard TiNx crystal
Abstract
In this article we present the application of a 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 TiNx family. This search will find a set of structures super-stoichiometrics Ti3N4 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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