A new theoretical superstoichiometric hard TiN_x crystal
classification
❄️ cond-mat.mtrl-sci
cond-mat.mes-hall
keywords
crystalhardhardnessmaterialsmethodologysearchantonapplication
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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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