An optimization-based “phase field” model for polycrystalline ferroelectrics
An optimization-based “phase field” model for polycrystalline ferroelectrics
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DOI：
10.1063/1.3377899
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发表时间：
2010-04
影响因子：
4
通讯作者：
Faxin Li;Xu Zhou;A. Soh
中科院分区：
文献类型：
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作者：
Faxin Li;Xu Zhou;A. Soh
提出了一种基于优化的计算模型，用于研究由多个晶粒组成的多晶铁电体中的畴演化，每个晶粒由多个畴组成。畴切换是通过优化过程来实现的，以最小化每个晶粒的自由能。与相场模型类似，该模型没有引入先验域切换准则。此外，通过只关注畴的体积分数，该模型的计算复杂度变得更小，并且可以捕获畴纹理的演变。对四方体和菱方体锆钛酸铅陶瓷的模拟结果表明了该模型的有效性。
An optimization-based computational model is proposed to study domain evolution in polycrystalline ferroelectrics composed of numerous grains, each of which consists of multiple domains. Domain switching is realized by an optimization process to minimize the free energy of each grain. Similar to phase field modeling, no priori domain-switching criterion is imposed in the proposed model. Moreover, by focusing on the volume fractions of domains only, the computational complexity of this model becomes much smaller and the domain textures evolution can be captured. Simulation results on both tetragonal and rhombohedral lead titanate zirconate ceramics illustrate the efficiency of this model.