铁电陶瓷微观电畴演化的成核率模型

大量的实验已经证实电畴翻转是铁电材料非线性和迟滞性本构曲线的根本原因.根据这些描述电畴运动的物理实验结果,提出了成核率模型来模拟铁电材料的非线性本构行为.进一步由模型建立了基于微观电畴运动的电畴翻转体积分数演化方程.应用该模型得到的理论计算结果与实验数据的比较表明,模型能够描述铁电材料的非线性本构行为.同时模型所揭示的微观电畴成核的演化行为可进一步的指导宏观唯象模型的建立与改进.     

铁电陶瓷的单电畴力学模型

物理实验证实铁电陶瓷的畴变是一个复杂的物理渐变过程,因此论文中引入了电畴翻转体积分数来表征这一过程,以电畴翻转体积分数为内变量,建立了考虑电畴翻转体积分数的铁电材料本构关系.接着提出了单电畴力学模型,把极化后的铁电试样看作横观各向同性单电畴的均匀材料.利用考虑电畴翻转体积分数的铁电材料本构关系,根据部分实验数据,拟合出电畴翻转驱动力与电畴翻转体积分数之间的强化关系曲线.然后根据标定出的强化关系曲线计算铁电试样在力电载荷下的响应.理论预测与实验结果符合良好.     

铁电陶瓷宏观单轴力电行为的双面模型

铁电陶瓷以其优越的力电耦合性作为新型的智能材料使用. 提出基于弹塑性双面理论的宏观铁电本构模型. 根据铁电陶瓷内部电畴在外电场和机械场作用下的微观运动，在宏观上除引入材料的畴变面外，还首次引入饱和面，并考虑以畴变面与饱和面之间的广义距离来表征铁电陶瓷的非线性行为. 数值计算结果与实验数据的比较表明所提出的初步理论可适当地反映力电加载下铁电陶瓷的宏观非线性行为.     

铁电材料的疲劳失效行为

在航空航天、核能发电等重大装备技术领域, 作为高温传感/驱动/能量收集器件的敏感材料——铋层状结构铁电(BLSF)陶瓷在复杂载荷环境下的疲劳失效问题严重限制着器件寿命和可靠性的提高. 本文以BLSF陶瓷的应用需求为背景, 围绕铁电材料的疲劳裂纹扩展与电畴极化翻转及其相互作用机制等关键问题, 综述了铁电材料在热、力、电三种载荷及其耦合作用下疲劳失效行为的研究现状, 并根据当前铁电材料的一些新发展、新应用对其未来研究方向进行了展望, 旨在为高性能、长寿命铁电/压电器件设计提供参考.      

铁电陶瓷PZT53复杂力电耦合行为的实验研究

通过实验研究了平行和垂直于极化方向的正应力对铁电陶瓷锆钛酸铅(PZT53)的电滞回线(E3-P3)和电致应变曲线(E-ε)的影响. 实验发现平行于极化方向的压应力对PZT53陶瓷的电滞回线、电致应变曲线形状以及矫顽场大小都有明显的影响,但是垂直于极化方向的拉、压应力只对PZT53陶瓷的电致应变曲线形状有明显的影响,但对电滞回线形状和矫顽场大小都没有显著影响. 采用畴翻转的模型详细解释了观察到的实验现象,所得结果为建立铁电陶瓷的多轴力、电耦合本构模型,提供了物理基础.     

单晶铁电畴反转的简化模型

建立具有钙钛矿结构铁电材料的基本电畴结构类型及电畴反转系的表示方法;将电畴反转类似为晶体塑性理论的位错运动,采用内时理论的类似方法,提出一个较简便的电畴体积分数的演化方程,能综合考虑到反转驱动力、180和90反转的不同形式、电畴体积分数及反转的变形历史等对反转的影响.对不同外加力电载荷条件下单晶材料的响应进行了模拟计算,能较好反映铁电材料的电位移与电场强度、应变与电场强度、应力与应变、应力与电位移等的非线性力电耦合关系.     

铁电复合材料的力电耦合行为

对铁电复合材料力电耦合行为的研究进行综述．介绍了铁电复合材料的一些基本特点和线性压电有效性能的研究进展．阐述铁电复合材料中由于铁电相的铁电畴变与铁弹畴变以及基体相的弹性、粘弹性和介电弛豫性质所引起的铁电复合材料的非线性力电耦合行为．介绍了基于细观力学方法对铁电复合材料的本构关系进行研究的一些结果．     

铁电单晶Pb(Mg1/3Nb2/3)O3-0.32PbTiO3的实验及本构模型研究

对压力作用下沿[001]晶向极化的Pb(Mg弛豫型铁电单晶;极化旋转(相变);黏塑性模型;本构;细观力学国家自然科学基金，教育部全国优秀博士学位论文作者专项基金2006-11-06对压力作用下沿[001]晶向极化的Pb(Mg1/3Nb2/3)O3-0.32PbTiO3(PMN0.32PT)弛豫型铁电单晶的应力应变行为进行了实验研究,实验结果表明铁电单晶〈001〉晶向的应力应变行为和铁电多晶有本质的不同,是传统的电畴翻转机理所难以解释的,所提出的极化旋转(相变)模型合理地解释了实验中观察到的现象;基于提出的极化旋转(相变)模型,采用细观力学方法建立了铁电单晶的细观本构模型.在模型中采用黏塑性公式描述铁电单晶可能的8个相变系统的相变行为.为了验证模型的可靠性,用该模型模拟了铁电单晶〈001〉晶向的应力应变实验曲线.计算表明,该模型能较好地模拟铁电单晶〈001〉晶向的相变行为.     

铁电陶瓷电致疲劳失效的研究进展

铁电陶瓷是具备力电转换功能的典型高技术材料.本文概述铁电陶瓷电致疲劳失效的研究进展.首先介绍电致疲劳的定义和特点,然后讨论电致疲劳失效在不同尺度下的表现行为,包括宏观尺度下裂纹的疲劳扩展;细观尺度下裂纹的萌生;微观尺度下点缺陷在循环电场下的积聚.随即阐述了铁电陶瓷在循环电场下缺陷汇聚的理论分析,运用微结构演化方法计算了单个孔洞随畴界的移动距离,推导了循环电场下铁电陶瓷内点缺陷浓度的演化方程,给出了点缺陷浓度与其汇聚程度之间的定量关系,从而提出了贯通不同尺度的铁电陶瓷电致疲劳失效机理.      

金属材料的率-温耦合响应与动态本构关系综述

金属材料在冲击、爆炸等高应变率加载下的塑性流动行为具有不同于静载下的率-温耦合性和微观机制。航空航天、航海、能源开采、核工业、公共安全、灾害防治等方面的金属结构设计与性能评估需要进行大量的动载实验和数值模拟,建立准确的材料动态本构模型是结构数值模拟可靠性的基础和关键。本文中,总结了金属材料的率-温耦合变形行为及内在机理,回顾了金属动态本构关系研究的起源与发展脉络,分别针对唯象模型、具有物理基础的模型和人工神经网络模型进行了详细介绍和横向比较。唯象模型和人工神经网络模型分别因易应用和高预测精度而受到青睐,基于物理概念的宏观连续介质模型可以描述体现内部演化的真实物理量,从而涵盖更大的应变范围,更好地反映应变率、温度和应变的影响机制。     

A SIMPLE CONSTITUTIVE MODEL FOR FERROELECTRIC CERAMICS UNDER ELECTRICAL/MECHANICAL LOADING

A simple phenomenological model is developed for describing the macroscopic constitutive response of ferroelectric materials based on consideration of the fact that domain switching is a progressive evolution process with loading. The volume fraction of domain switching is taken as an internal variable, which is derived from the domain nucleation theory. The proposed theory can simulate the dielectric hysteresis, reversed butterfly hysteresis, nonlinear strain-stress hysteresis, as well as electric displacement-stress relation of ferroelectric materials. Its comparison with experimental results and two other theoretical models reveals that the model presented can well predict the nonlinear hysteresis of ferroelectrics under electrical or mechanical loading.     

Time dependence of effective properties of polycrystalline ferroelectric ceramics

In this paper, based on Merz[7] experimental results and classical nucleation theory, a micromechanics statistical model is proposed to describe the relation between the special microstructure-level evolution phenomena-domain switching and macro-response. The polycrystalline ferroelectric ceramics treated as a composition of switched domain and unswitched domain, the approaches of Eshelby's equivalent inclusion and Mori-Tanaka's mean field theory are used to analyze and predict its effective electroelastic properties. The model can incorporate the effects of time dependence of domain switching and shape of individual crystalline. To the BaTiO₃ polycrystalline ceramics, the analytical results are in good agreement with the experimental results.     

含随机分布缺陷的多晶铁电材料的有效电弹性能

针对铁电材料含有随机分布缺陷以及微结构在外场作用下发生变化的特点,建立起一个细观统计力学模型,考虑到缺陷和酶极化转动之间的相互影响,利用细观力学方法－Eshelby等效夹杂法和Mori-Tanaka的平均理论,具体分析了所含缺陷以及外场对铁电材料有效电弹性能和模量的影响。针对BaTiO3铁电陶瓷的有效电弹性能与常数的预报结果表明了缺陷的存在将增强材料的压电性能。     

Analysis of the electromechanical behavior of ferroelectric ceramics based on a nonlinear finite element model

A nonlinear finite element (FE) model based on domain switching was proposed to study the electromechanical behavior of ferroelectric ceramics. The incremental FE formulation was improved to avoid any calculation instability. The problems of mesh sensitivity and convergence, and the efficiency of the proposed nonlinear FE technique have been assessed to illustrate the versatility and potential accuracy of the said technique. The nonlinear electromechanical behavior, such as the hysteresis loops and butterfly curves, of ferroelectric ceramics subjected to both a uniform electric field and a point electric potential has been studied numerically. The results obtained are in good agreement with those of the corresponding theoretical and experimental analyses. Furthermore, the electromechanical coupling fields near (a) the boundary of a circular hole, (b) the boundary of an elliptic hole and (c) the tip of a crack, have been analyzed using the proposed nonlinear finite element method (FEM). The proposed nonlinear electromechanically coupled FEM is useful for the analysis of domain switching, deformation and fracture of ferroelectric ceramics.The project supported by the National Natural Science Foundation of China (10025209, 10132010 and 90208002), the Research Grants of the Council of the Hong Kong Special Administrative Region, China (HKU7086/02E) and the Key Grant Project of the Chinese Ministry of Education (0306)     

A micromechanics method to study the effect of domain switching on fracture behavior of polycrystalline ferroelectric ceramics

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多晶铁电材料的有效电弹性能预报

本文利用细观力学方法———Ｅｓｈｅｌｂｙ等效夹杂法和Ｍｏｒｉ Ｔａｎａｋａ的平均场理论,根据铁电材料的微结构特点,建立了一个细观统计模型对多晶铁电材料的有效电弹性能和模量进行分析预报．在本细观统计模型中,不仅考虑到单晶粒的形状影响,而且考虑铁电畴在外场作用下发生极化转动的影响．本文针对ＢａＴｉＯ３铁电陶瓷的有效电弹性能与系数的预报结果与实验观测结果相符     

Two-scale micromechanics-based probabilistic modeling of domain switching in ferroelectric ceramics

A two-scale micromechanics model is developed in this paper to analyze domain switching in ferroelectric ceramics, using a probabilistic domain switching criterion based on energetic analysis. The microstructure of ferroelectric ceramics at two distinct length scales, domains and grains, has been carefully analyzed. The interaction at domain level is accounted for by energy minimization theory, while the fluctuation at grain level is analyzed using ellipsoidal two-point correlation function. The model has been implemented by Monte Carlo method, and applied to simulate the electric poling and mechanical depoling of Pb(Zr_xTi_1-x)O₃ (PZT) ceramics across morphotropic phase boundary (MPB). The drastically different switching characteristics of PZT ceramics across MPB has been captured, and good agreement with experiments has been observed. The effects of the transformation strains and spontaneous polarizations are highlighted, confirming the proposition of Li et al. [2005. Domain switching in polycrystalline ferroelectric ceramics. Nature Materials 4, 776–781] that the strain compatibility plays a dominant role in domain switching in ferroelectric ceramics.     

Fatigue crack growth induced by domain switching under electromechanical load in ferroelectrics

Reliability calls for a better understanding of the failure of ferroelectric ceramics. The fracture and fatigue of ferroelectric ceramics under an electric field or a combined electric and mechanical loading are investigated. The small-scale domain-switching model is modified to analyze failure due to fracture and fatigue. Effects of anisotropy and electromechanical load coupling are taken into account. Analytical expressions are obtained for domain-switching regions near the crack tip such that of 90° domain switching can be distinguished from 180° domain switching in addition to different initial poling directions. The crack tip stress intensity variation of ferroelectric ceramics due to the domain switching is analyzed. A positive electric field tends to enhance the propagation of an insulating crack perpendicular to the poling direction, while a negative field impedes it. Fatigue crack growth under various coupling loads and effects of the stress field and electric field on near field stress intensity variation are analyzed. Predicted crack growth versus cyclic electric field agrees well with experiment.     

Numerical simulation of domain switching in multilayer ferroelectric actuators

Micromechanical finite element methods are developed based on a nonlinear constitutive model of ferroelectric polycrystals. Electromechanical behaviors ahead of an internal electrode tip are numerically simulated in multilayer ferroelectric actuators. Around the electrode edge, the nonuniform electric field generates a concentration of stress due to the incompatible strain as well as spontaneous strain. The preferred domain switching enhances the concentration of residual stress and may cause the actuators to crack. An electrically permeable crack emanating from an internal electrode is analyzed. A large scale domain switching zone is found in the vicinity of crack tips. The larger the actuating strain and electric field are, the larger the switching zone will be. The size of switching zone even reaches the scale of crack length with increasing electromechanical loading.