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Formulation of Phase-Field Energies for Microstructure in Complex Crystal Structures

Kaushik Dayal's picture

This is a preprint of the article: APPLIED PHYSICS LETTERS 96, 081916 2010

Formulation of Phase-Field Energies for Microstructure in Complex Crystal Structures
by Lun Yang and Kaushik Dayal

Abstract

The unusual properties of many multifunctional materials originate from a structural phase transformation and consequent martensitic microstructure. Phase-field models are typically used to predict the formation of microstructural patterns and subsequent evolution under applied loads. However, formulating a phase-field energy with the correct equilibrium crystal structures and that also respects the crystallographic symmetry is a formidable task in complex materials. This paper presents a simple method to construct such energy density functions for phase-field modeling. The method can handle complex equilibrium structures and crystallographic symmetry with ease. We demonstrate it on a shape memory alloy with 12 monoclinic variants.

 

Final version available at http://www.ce.cmu.edu/~kdayal/papers/yang-dayal_apl2010.pdf

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Comments

jiangyuli's picture

Dear Kaushik,

  Really nice work. Yi-Chung and I had lengthy discussion on the symmetry with Chad Landis, and my student had some follow-up work on that aspect. Here you offered a very simple yet elegant solution. Have you tried to make comparison on the kind of microstructure emerging from both methods? Have you observed any difference?

  Jiangyu

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