Design Framework for Optimized Multifunctional Coatings

A design framework for optimized multifunctional coatings requires a fundamental understanding of the physics at multiple length scales. Multifunctional coating systems, like thermal barrier coatings (TBCs) for engine high temperature exhaust regions need to be designed across these multiple scales and as an integrated system. Much of the oxidation, thermal cycling, and damage between the ceramic-metallic interfaces of TBCs occurs on an atomistic scale, while the loading and boundary conditions occur on a structural continuum level. A comprehensive coating design methodology must properly account for microstructural features of the coating system to assist in the material design, while also providing effective material properties that can be utilized for both topological and structural optimization considerations. Topology optimization for multiphase, spatially-varying coatings as well as structural continuum responses, such as service life and thermal management are essential for a successful design framework to achieve ideal thermomechanical behavior based on critical system-level loading conditions. Corvid proposes demonstrating a computational; multi-physics linked approach with a particular TBC system, specifically an Yttrium-stabilized ZrO2 (YSZ) coating and an Aluminum/Platinum (AlPt) substrate by using a number of atomistic methods utilizing the strengths of each method to bridge the length scales and ultimately transition to the continuum level.