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首页> 外文期刊>Physica status solidi, B. Basic research >Phase-field simulation study on size effect of the microstructure evolution of a single-domain barium titanate 2D lattice square
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Phase-field simulation study on size effect of the microstructure evolution of a single-domain barium titanate 2D lattice square

机译:单域钛酸钡二维晶格正方形微观结构演化的尺寸效应相场模拟研究

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Microstructure evolution and size effect of a two-dimensional barium titanate lattice sqaure have been studied using phasefield simulation. Based on the Landau phenomenological model, we calculated the microstructure evolution of the tetragonal and orthorhombic ferroelectric BaTiO_3 started from a single domain with various lattice sizes. A directiondependent hysteresis loop can be quantitatively described. The results show that both the phase transition with temperature and polarization switching under an external electric field are accompanied by multidomain and multiphase production in a large single-domain lattice, but synchronous changes in polarization in small lattice; As the grain size decreases, the orthorhombic→tetragonal phase-transition temperature increased, while the tetragonal→cubic, cubic→tetragonal, and tetragonal→orthorhombic phase-transition temperatures decrease. An interesting conclusion is that it shows triple hysteresis loops along the [11]-direction when the lattice size decreases to a certain size. The simulations of microstructure evolutions not only produce a good domain-switching process under various electric fields, but also provide a comprehensive microstructure evolution in the vicinity of the phase-transition points. The physics underlying the continuous evolution of microstructure with electric field and temperature is discussed.
机译:利用相场模拟研究了二维钛酸钡晶格的微观结构演变和尺寸效应。基于Landau现象学模型,我们从具有不同晶格尺寸的单个域开始计算了四方和正交的铁电BaTiO_3的微观结构演化。可以定量地描述方向相关的磁滞回线。结果表明,在大的单畴晶格中,伴随温度的相变和极化转换都伴随着多畴和多相的产生,而在小晶格中,极化的同步变化。随着晶粒尺寸的减小,正交→四方相转变温度升高,而四方→立方,立方→四方和四方→斜方相转变温度降低。一个有趣的结论是,当晶格尺寸减小到一定尺寸时,它会显示沿[11]方向的三个磁滞回线。微观结构演化的仿真不仅在各种电场下产生了良好的畴转换过程,而且在相变点附近提供了全面的微观结构演化。讨论了微观结构随着电场和温度而不断演化的物理学原理。

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