Transition metal (oxy)nitride coatings are used in polymer forming operations for a combination of outstanding wear resistance and chemical compatibility with the polymer materials. Varying the chemical composition and deposition parameters for the coatings will optimise mechanical properties by a combination of chemistry and microstructural optimisation. By developing a representative model for these materials, these materials can be rapidly and efficiently prototyped and improved. However, as both chemistry and microstructure play a role in the material properties, both of these variables must be taken account of in this model. This work demonstrates the first steps in linking quantum-mechanics, micro-mechanics, and meso-scale finite element models together in order to fully understand the behaviour of these coatings.
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