Developing quantitative, multi-scale models for melt crystal growth

Andrew Yeckel, Paul Sonda, Lisa Lun, Thomas Jung, Georg Mueller, Jeffrey J. Derby

Research output: Contribution to conferencePaper

Abstract

The quantitative prediction of incompressible flows, heat transfer, and solute segregation would be of great utility for understanding and developing microgravity crystal growth experiments. In fact, the successful development of such models will enable two modes of use - as diagnostic aids to explain experimental observations in Earth-bound and microgravity environments and as predictive tools to assess processing operations in these differing environments. For such models, methods are needed to provide quantitatively realistic boundary conditions depicting furnace-level heat transfer to codes developed to solve for incompressible flow of the melt, heat transfer, and solidification. This presentation focuses on the development of a multi-scale, multi-physics model for melt crystal growth. A global model, CrsyVUn, that computes high-temperature, furnace heat transfer, is coupled with a local model, Cats, that solves for heat transfer, incompressible melt flow, and melt-crystal interface shape. These models are solved using an iterative scheme to compute a self-consistent solution. Sample results demonstrate the need for such an approach vis-a-vis simpler solution strategies that employ one-way coupling of the models. We discuss several mathematical and computational issues arising from the coupling of these nonlinear models. The framework of fixed-point iterations is employed to assess the convergence behavior of a modular, block Gauss-Seidel iteration of the independent models. Certain choices of coupling the models that are physically reasonable are shown to result in algorithms that will never converge, demonstrating that notions based on physical intuition may not be useful for predicting algorithm performance. Finally, we present recent work implementing approximate-Newton algorithms using strongly coupled iterations. These methods promise convergence rates approaching quadratic and far greater robustness compared to the loosely coupled, block Gauss-Seidel approach.

Original languageEnglish (US)
Number of pages1
StatePublished - Dec 1 2005
Event05AIChE: 2005 AIChE Annual Meeting and Fall Showcase - Cincinnati, OH, United States
Duration: Oct 30 2005Nov 4 2005

Other

Other05AIChE: 2005 AIChE Annual Meeting and Fall Showcase
CountryUnited States
CityCincinnati, OH
Period10/30/0511/4/05

Fingerprint Dive into the research topics of 'Developing quantitative, multi-scale models for melt crystal growth'. Together they form a unique fingerprint.

  • Cite this

    Yeckel, A., Sonda, P., Lun, L., Jung, T., Mueller, G., & Derby, J. J. (2005). Developing quantitative, multi-scale models for melt crystal growth. Paper presented at 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Cincinnati, OH, United States.