화학공학소재연구정보센터
Journal of Materials Science, Vol.36, No.12, 2937-2953, 2001
Multi-length scale modeling of chemical vapor deposition of titanium nitride coatings
Chemical Vapor Deposition (CVD) of TiN coatings has been analyzed at three different length scales: (a) At chemical reactor length scale, by solving the appropriate reactive-gas, fluid-dynamics, heat-transfer boundary value problem; (b) At the atomic scale, by applying a kinetic Monte Carlo method to model the deposition process in a stochastic manner and (c) At the coating-grain scale, by employing an improved van der Drift-type model to simulate the evolution of surface morphology, grain size distribution, evolution of the morphological and crystallographic texture, etc. in polycrystalline TiN coatings. It has shown that by combining the three modeling schemes, one can establish a direct link between the processes parameters and the microstructure (and thus the properties) of as CVD-grown TiN coatings. This, in turn, enables optimization of both the coating deposition process, and the microstructure and properties of CVD-grown coatings.