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Phase Field Modeling of Microstructural Evolution

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Computational Materials System Design

Abstract

Phase field modeling plays an important role in computational materials design, providing insight into the microstructure of materials and the mechanisms governing their formation. This chapter begins with a brief introduction to phase field modeling, including the formulation of the two primary governing equations, the Allen-Cahn and Cahn-Hilliard equations. Next, five applications of phase field modeling are discussed: precipitate evolution, grain growth, solidification, phase separation in battery electrodes, and deposition. Common approaches for using phase field modeling are described for each application, and recent progress is reviewed. The chapter then discusses recent developments in open-source computational frameworks for phase field modeling and the ways in which this new paradigm can broaden the application of microstructural modeling in materials research and development and improve the transparency of such work. The chapter closes with a brief outlook on the future of phase field modeling and its role in computational materials design.

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Acknowledgment

This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under Award #DE-SC0008637 as part of the Center for PRedictive Integrated Structural Materials Science (PRISMS Center) at University of Michigan. The authors thank Dr. H.-C. Yu for constructive feedback on the battery electrode section.

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  1. Department of Materials Science and Engineering, University of Michigan, Ann Arbor, MI, USA

    Stephen DeWitt & Katsuyo Thornton

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Correspondence to Katsuyo Thornton .

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    Dongwon Shin

  2. QuesTek Innovations, LLC, Evanston, Illinois, USA

    James Saal

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DeWitt, S., Thornton, K. (2018). Phase Field Modeling of Microstructural Evolution. In: Shin, D., Saal, J. (eds) Computational Materials System Design. Springer, Cham. https://doi.org/10.1007/978-3-319-68280-8_4

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