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An Optimization-Based Computational Model for Polycrystalline Ferroelastics

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Abstract

An optimization-based computational model is proposed for domain reorientation in polycrystalline ferroelastics. In this model, a polycrystalline ferroelastics is made up of numerous, random oriented grains, with each grain consisting of N types of domains. Under any prescribed loading condition, the fraction of each domain in a specific grain is obtained via an optimization process to minimize the free energy of the total grain. The mechanical constraint from neighboring grains is considered in an Eshelby inclusion manner. This model has the similar superiority as the phase field model that does not impose any priori domain-switching criterion. Meanwhile, the computational complexity of this model is fairly small and affordable in 3-D cases using numerous grains. Furthermore, this model can reproduce very well the Taylor’s rule of plasticity. Simulation results on tetragonal, rhombohedral and morphotropic PZT ceramics show the superiority and efficiency of this model. The domain texture evolution can also be calculated.

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Acknowledgments

This work is supported by the National Natural Science Foundation (Grant No.10872002) and the 985 Project Foundation of Peking University.

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Correspondence to Faxin Li .

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Li, F. (2011). An Optimization-Based Computational Model for Polycrystalline Ferroelastics. In: Kuna, M., Ricoeur, A. (eds) IUTAM Symposium on Multiscale Modelling of Fatigue, Damage and Fracture in Smart Materials. IUTAM Bookseries, vol 24. Springer, Dordrecht. https://doi.org/10.1007/978-90-481-9887-0_8

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  • DOI: https://doi.org/10.1007/978-90-481-9887-0_8

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  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-90-481-9886-3

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