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首页> 外文会议>American Society of Mechanical Engineers(ASME) International Mechanical Engineering Congress and Exposition; 20061105-10; Chicago,IL(US) >PHASE FIELD MODELING OF FERROELECTRIC DOMAIN WALL INTERACTIONS WITH CHARGE DEFECTS
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PHASE FIELD MODELING OF FERROELECTRIC DOMAIN WALL INTERACTIONS WITH CHARGE DEFECTS

机译：带电荷缺陷的铁电畴壁相互作用的相场模拟

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摘要

The overall objective of this work is to develop a theoretical model that can track the evolution of the domain structures in ferroelectric crystals, which are responsible for the non-linear electromechanical behavior of these materials. To this end, a continuum thermodynamics framework is devised, and the theory falls into the class of phase-field or diffuse-interface modeling approaches. Here a set of micro-forces and governing balance laws are postulated and applied within the second law of thermodynamics to identify the appropriate material constitutive relationships. The approach is shown to yield the commonly accepted Ginzburg-Landau equation for the evolution of the polarization order parameter. Within the theory a form for the free energy is postulated that can be applied to fit the general elastic, piezoelectric and dielectric properties of a ferroelectric material near its spontaneously polarized state. Thereafter, a principle of virtual work is specified for the theory and is implemented to devise a finite element formulation. The theory and numerical methods are used to investigate the interactions of 180° and 90° domain walls with an array of charge defects and to determine the electromechanical pinning strength of the array on the walls.
机译：这项工作的总体目标是建立一个理论模型，该模型可以跟踪铁电晶体中畴结构的演化，这些结构负责这些材料的非线性机电行为。为此，设计了一个连续的热力学框架，该理论属于相场或扩散界面建模方法。在此，在热力学第二定律中假定并应用了一组微力和支配平衡定律，以识别适当的材料本构关系。结果表明，该方法可为极化阶数参数的演化产生公认的Ginzburg-Landau方程。在该理论内，假定了一种自由能形式，该形式可用于适合铁电材料自发极化状态附近的一般弹性，压电和介电特性。此后，为该理论指定了虚拟工作原理，并实现了虚拟工作原理以设计有限元公式。该理论和数值方法用于研究180°和90°畴壁与一系列电荷缺陷的相互作用，并确定该阵列在壁上的机电固定强度。

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