Designing a Numerical Model of TiAlTaSiN-Based Coating System
摘要
A molecular dynamics model of a five-component coating based on the TiAlTaSiN system is proposed. A superposition of interatomic potentials is chosen to describe the interaction between the atoms of the system. The superposition includes both the available interatomic potentials and those calculated on the basis of the electron density functional theory. A molecular dynamics simulation is used to analyze the resistance of the developed coating model to thermal and mechanical loading. The influence of the concentration of alloying inclusions and the crystallographic orientation of the grains of this multi-component coating with respect to the applied load on its strength and deformation properties is investigated. A qualitative agreement between the simulation results and the experimental data is demonstrated.