Computational Modeling of Interdiffusion Microstructures

University Of Connecticut, Storrs CT

Investigators

Abstract

The project is aimed at deeper development of the science of interdiffusion taking into account the type and shape of diffusion paths and the effect of microstructure morphology on diffusion. An objective of the study is to develop verified and validated computational models that can make quantitative predictions of interdiffusion kinetics and microstructural evolution as functions of processing and test variables. It will lead to a greater understanding of interdiffusion kinetics and microstructural evolution as functions of processing and test variables. The formation of interdiffusion microstructures can lead to significant changes in properties of the structural components in various fields such as materials protection, composites, metal joining, and heat-treating. It is desirable to know how to promote or prevent interdiffusion and hence control the interdiffusion microstructure, and to model the changes in order to predict the service life of components. The approach will integrate error function analyses, finite difference and phase field modeling in order to predict the precipitate morphology, and to calculate its effect on interdiffusion. The proposed research activities will impact science, technology and education. The further development of multicomponent diffusion concepts and corresponding modeling techniques will provide impetus for including the topic in graduate courses on diffusion. As a result, engineers and scientists will be better prepared to work on technological problems that by their nature involve diffusion in complex commercial alloys. This research develops an improved understanding of fundamentals related to interdiffusion in multi-component and multiphase systems, which will help in the interpretation of experimental data taken in both industry and academe. By developing verified and validated computational models that have the capability to deal with the complexity of commercial alloy systems, it will be possible to apply them to assist in the design of practical processes that involve interdiffusion.