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     

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．     

铁电材料的本构关系及相关问题研究进展

铁电材料以其力电耦合性能而在传感器、智能材料与结构等诸多领域获得广泛地应用．铁电材料的本构关系也因此成为研究热点．本文对铁电材料的本构关系以及与之相关的细观力学研究方法、宏观唯象研究方法、宏细观相结合的研究方法等问题的国内外研究进展作了一简要的评述．      

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.      

铁电陶瓷微观电畴的成核率模型

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。研究者已经对铁电陶瓷的微观电畴翻转行为进行了大量详细的研究。针对描述电畴成核的物理实验结果和经典的成核率实验数据,为了建立电畴翻转体积分数的演化方程提出了反应微观电畴翻转的成核率模型。针对铁电试样电畴随机分布的情况,应用该模型对铁电陶瓷的非线性本构行为进行了研究。理论结果与实验数据的比较表明,模型能较好的描述铁电材料的非线性本构行为。同时模型所揭示的微观反转的物理本质可进一步的指导宏观唯象模型的改进。     

循环电载下热效应对铁电材料畴变的影响

铁电材料在力、电载荷作用尤其是循环载荷作用下有明显的热效应.热效应会在铁电材料中引起应力场和电场.另外,在外载作用下铁电材料发生约束畴变时也会产生附加的应力场,这些附加的应力场和电场都会对铁电材料的畴变产生影响.而且在循环载荷作用的情况下,这种影响会逐渐累积.但在以往的研究中,很少涉及这种影响.该文就循环电载下热效应引起的力、电场和约束畴变时产生的附加应力场对铁电材料畴变的影响进行了初步研究.     

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.     

各向同性弹性损伤的双标量描述

损伤状态的描述是损伤力学中仍未完善解决的基本问题．我们旨在对此问题就最简单的一种情形——各向同性弹性损伤，进行较为全面的研究．首先，指出了古典各向同性损伤理论中，基于应变等效假设，用单个标量损伤变量描述损伤状态的局限性．然后，建立了一个用两个标量损伤变量描述的各向同性弹性损伤模型．此模型解除了古典理论的局限，能完全描述各向同性弹性损伤，并且得到本文数值实验的验证．最后，将本文模型与现有细观力学结果连接，给出了宏细观损伤变量之间的关系，使得细观量可以通过宏观量来反映，建立了一个用细观损伤材料常数描述细观缺陷特征的损伤本构模型     

铁电陶瓷宏细观本构模型

在居里温度以下，铁电陶瓷呈铁电相，具有许多取向不同的铁电畴，取向分布函数描述了铁电畴的取向分布情况文中推广了经典的内变量理论，采用宏细观相结合的方法，建立了铁电陶瓷的宏观行为与细观结构的关系，给出了铁电陶瓷的屈服条件，屈服面的演化规律及取向分布函数的演化规律计算得出了与实验比较符合的电位移－电场关系曲线及应变电场－蝶形关系曲线     

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

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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.     

A finite element model of ferroelastic polycrystals

A finite element model of switching in polycrystalline ferroelastic ceramics is developed. It is assumed that a crystallite switches if the reduction in mechanically driven potential energy of the system exceeds a critical value per unit volume of switching material. Stress induced (i.e. ferroelastic) switching is a change of permanent strain in characteristic crystallographic directions. Martensitic twinning is one example, but the strain response of ferroelectric materials has the same characteristics. The model is suitable for representing ferroelastic systems such as shape memory alloys and as a preliminary model for ferroelectric/ferroelastic materials such as perovskite piezoelectrics. In the simulations, each crystallite is represented by a finite element and the crystallographic principal direction for each crystallite is assigned randomly. Different critical values for the energy barrier to switching are selected to simulate stress vs strain hysteresis loops of a ceramic lead lanthanum zirconate titanate (PLZT) at room temperature. The measured stress versus strain curves of polycrystalline ceramics designated PZT-A and PZT-B are also reproduced by the model.     

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.     

Unconventional domain band structure at the crack tip in ferroelectric ceramics

Domain polarization switch near the tip of a crack or an electrode plays a critical role in the fracture or toughening of ferroelectric ceramics. The intensive electric field near a crack tip stimulates local domain switching. Experiment indicates that the domain band structure in front of an indentation crack under lateral electric loading is unconventional, attributed to the highly localizing crack tip electric field. The partially switched ferroelectric grain resembles a banded Eshelby inclusion embedded in a polycrystalline ferroelectric matrix. The domain wall energy for unconventional domain structures is estimated via arrays of misfit dislocations. Mesomechanics analysis quantifies the unconventional domain band structures. The predicted parameters include the volume fraction, the thickness, and the orientation of switched domain bands.     

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.     

Phenomenological model for the macroscopical material behavior of ferroelectric ceramics

A thermodynamically consistent phenomenological model for the simulation of the macroscopic behavior of ferroelectric polycrystalline ceramics is presented. It is based on the choice of microscopically motivated internal state variables, which describe the texture and the polarization state of the polycrystal. Saturation states are defined for the internal state variables. The linear material behavior is modelled by a transversely isotropic piezoelectric constitutive law, where the anisotropy is history dependent. For non-linear irreversible processes, a switching function and associated evolution rules are applied, satisfying the principle of maximum ferroelectric dissipation. Saturation is modelled by the use of energy-barrier functions in the electric enthalpy density function. Numerical examples demonstrate the capability of the proposed model, to predict the typical experimental results.     

On the fracture toughness of ferroelastic materials

The toughness enhancement due to domain switching near a steadily growing crack in a ferroelastic material is analyzed. The constitutive response of the material is taken to be characteristic of a polycrystalline sample assembled from randomly oriented tetragonal single crystal grains. The constitutive law accounts for the strain saturation, asymmetry in tension versus compression, Bauschinger effects, reverse switching, and strain reorientation that can occur in these materials due to the non-proportional loading that arises near a propagating crack. Crack growth is assumed to proceed at a critical level of the crack tip energy release rate. Detailed finite element calculations are carried out to determine the stress and strain fields near the growing tip, and the ratio of the far field applied energy release rate to the crack tip energy release rate. The results of the finite element calculations are then compared to analytical models that assume the linear isotropic K-field solution holds for either the near tip stress or strain field. Ultimately, the model is able to account for the experimentally observed toughness enhancement in ferroelastic ceramics.