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

ＩｎｔｒｏｄｕｃｔｉｏｎＲｅｃｅｎｔｌｙ ,ｔｈｅｆｅｒｒｏｅｌｅｃｔｒｉｃｃｅｒａｍｉｃｓｈａｓｓｕｃｈｅｘｃｅｌｌｅｎｔｃｈａｒａｃｔｅｒｉｓｔｉｃｓｏｆｐｉｅｚｏｅｌｅｃｔｒｉｃｉｔｙａｎｄｐｙｒｏｅｌｅｃｔｒｉｃｉｔｙｅｔｃ .ｔｈａｔｉｔｂｅｃｏｍｅｓｏｎｅｏｆｔｈｅｍｏｓｔｉｍｐｏｒｔａｎｔｆｕｎｃｔｉｏｎａｌｍａｔｅｒｉａｌｓ.Ｆｏｒｉｎｓｔａｎｃｅ ,ｔｈｅｗｉｄｅｌｙａｐｐｌｉｅｄｓｅｎｓｏｒｓ,ｔｒａｎｓｄｕｃｅｒｓａｎｄａｃｔｕａｔｏｒｓｅｔｃ .ａｒｅｍａｄｅｏｆｔｈｅｆｅｒｒｏｅ…     

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.     

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.     

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.     

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.     

Effect of electric displacement saturation on the stress intensity factor for a crack in a ferroelectric ceramic

A crack in a ferroelectric ceramic with perfect saturation under electric loading is analyzed. The boundary of the electric displacement saturation zone ahead of the crack tip is assumed to be ellipse in shape. The shape and size of ferroelectric domain switching zone near a crack tip is determined based on the nonlinear electric theory. The stress intensity factor induced by ferroelectric domain switching under small-scale conditions is numerically obtained as a function of the electric saturation zone parameter and the ratio of the coercive electric field to the yield electric field. It is found that the stress intensity factor increases as the ratio of the semi-axes of the saturation ellipse increases.     

An I-integral method for crack-tip intensity factor variation due to domain switching in ferroelectric single-crystals

In the present study, an I-integral method is established for solving the crack-tip intensity factors of ferroelectric single-crystals. The I-integral combined with the phase field model is successfully used to investigate crack-tip intensity factor variations due to domain switching in ferroelectricity subjected to electromechanical loadings, which exhibits several advantages over previous methods based on small-scale switching. First, the shape of the switching zone around a crack tip is predicted by the time-dependent Ginzburg–Landau equation, which does not require preset energy-based switching criterion. Second, the I-integral can directly solve the crack-tip intensity factors and decouple the crack-tip intensity factors of different modes based on superimposing an auxiliary state onto an actual state. Third, the I-integral is area-independent, namely, the I-integral is not affected by the integral area size, the polarization distributions, or domain walls. This makes the I-integral applicable to large-scale domain switching. To this end, the electro-elastic field intensity factors of an impermeable crack in PbTiO₃ ferroelectric single crystals are evaluated under electrical, mechanical, and combined loading. The intensity factors obtained by the I-integral agree well with those obtained by the extrapolation technique. From numerical results, the following conclusions can be drawn with respect to fracture behavior of ferroelectrics under large-scale switching. Under displacement controlled mechanical loading, the stress intensity factors (SIFs) decrease monotonically due to the domain switching process, which means a crack tip shielding or effective switching-induced toughening occurs. If an external electric field is applied, the electric displacement intensity factor (EDIF) increases in all cases, i.e., the formed domain patterns enhance the electric crack tip loading. The energy release rate, expressed by the crack-tip J-integral, is reduced by the domain switching in all examples, which underlines the switching-induced-toughening effect. In contrast, under stress controlled load, the SIF evolves due to large-scale switching to a stable value, which is higher than the non-switching initial value, i.e., fracture is promoted in this case.     

A SIMPLIFIED MODEL FOR DOMAIN SWITCHING OF FERROELECTRIC CRYSTAL

I. INTRODUCTION Domain switching is the main source of nonlinear characteristics of ferroelectric materials. The trans-formation performance of domain is the basis for ferroelectric constitutive research. In many literatures[1??10], complete switching models were adopted, in which ferroelectric materials are considered tobe consist of several basic sorts of domains, which are independent of each other. Under the actionof su?ciently strong electric ?elds or mechanical stress, the orienta…     

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.     

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.     

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。     

Non-linear electromechanical response of 1–3 type piezocomposites

Domain switching in piezoelectric materials is caused by external loads such as electric field and stress that leads to non-linear behaviour. A study is carried out to compare the non-linear behaviour of 1–3 piezocomposites with different volume fractions and bulk piezoceramics. Experiments are conducted to measure the electrical displacement and strain on piezocomposites and bulk ceramics under high cyclic electrical loading and constant compressive prestress. A thermodynamically consistent uni-axial framework is developed to predict the nonlinear behaviour by combining the phenomenological and micromechanical techniques. Volume fractions of three distinct uni-axial variants (instead of six variants) are used as internal variables to describe the microscopic state of the material. In this model, the grain boundary effects are taken into account by introducing the back fields (electric field and stress) as non-linear kinematic hardening functions. An analytical model based on equivalent layered approach is used to calculate effective properties such as elastic, piezoelectric, and dielectric constants for different volume fractions of piezocomposites. The predicted effective properties are incorporated in the proposed uni-axial model and the dielectric hysteresis (electrical displacement versus electric field) as well as butterfly curves (strain versus electric field) are simulated. Comparison between the experiments and simulations show that this model can reproduce the characteristics of non-linear response. It is observed that the variation in fiber volume fraction and compressive stress has a significant influence on the response of the 1–3 piezocomposites.     

Interplay between polarization rotation and crack propagation in PMN-PT relaxor single crystals

Investigations on the interconnection between the polarization rotation and crack propagation are performed for [110]-oriented 74Pb(Mg_1/3Nb_2/3)O₃-26PbTiO₃ relaxor ferroelectric single crystal under electric loadings along [001] direction. The crystal is of predominantly monoclinic M_A phase with scatter distributed rhombohedral (R) phase under a moderate poling field of 900 V/mm in [001] direction. With magnitude of 800 V/mm, a through thickness crack is initiated near the electrode by electric cycling. Static electric loadings is then imposed to the single crystal. As the applied static electric field increases, domain switching in the monoclinic M_A phase and phase transition from M_A to R phase occur near the crack. The results indicate that the crack features a conducting one. Whether domain switching or phase transition occurs depends on the intensity of the electric field component that is perpendicular to the applied electric field.     

压电薄膜表面贯穿裂纹的有限元分析

基于有限元软件ANSYS数值模拟,计算了激光作用下的压电薄膜表面贯穿裂纹外场应力强度因子和电位移强度因子,并且研究了90°畴变所诱致的畴变增韧行为。首先,求解无裂纹压电薄膜在激光作用下的热-力-电响应,将求得的应力和电位移场反向作用于裂纹面,求解裂纹尖端处的外场应力和电位移强度因子,然后基于小范围畴变理论求解了90°畴变所致的屏蔽应力强度因子。讨论了薄膜表面裂纹的外场应力强度因子、电位移强度因子及屏蔽应力强度因子随激光作用时间和裂纹位置的变化关系,从而预测压电薄膜体系在加热工作状况下的裂纹扩展和断裂行为。     

Fully coupled, multi-axial, symmetric constitutive laws for polycrystalline ferroelectric ceramics

In this paper, a general form for multi-axial constitutive laws for ferroelectric ceramics is constructed. The foundation of the theory is an assumed form for the Helmholtz free energy of the material. Switching surfaces and associated flow rules are postulated in a modified stress and electric field space such that a positive dissipation rate during switching is guaranteed. The resulting tangent moduli relating increments of stress and electric field to increments of strain and electric displacement are symmetric since changes in the linear elastic, dielectric and piezoelectric properties of the material are included in the switching surface. Finally, parameters of the model are determined for two uncoupled cases, namely non-remanent straining ferroelectrics and purely ferroelastic switching, and then for the fully coupled ferroelectric case.     

MINIMUM SIZE OF 180 DEGREE DOMAINS IN FERROELECTRIC THIN FILMS COVERED BY ELECTRODES

Ferroelectric domain switching under low voltage or short pulses is of interest for the development of high-density random access memory (FRAM) devices. Being necessarily very small in size, instability and back switching often occur when the external voltage is removed, which creates serious problems. In this investigation, a general approach to determine the minimum size of ferroelectric domain to avoid back switching was developed, and as an example, a 180°domain in a ferroelectric thin film covered by the upper and lower electrodes was considered in detail. We note that our approach is generally applicable to many other fields, including phase transformation, nucleation and expansion of dislocation loops in thin films, etc.     

Effect of electric boundary conditions on crack propagation in ferroelectric ceramics

In this paper, the effect of electric boundary conditions on Mode I crack propagation in ferroelectric ceramics is studied by using both linear and nonlinear piezoelectric fracture mechanics. In linear analysis, impermeable cracks under open circuit and short circuit are analyzed using the Stroh formalism and a rescaling method. It is shown that the energy release rate in short circuit is larger than that in open circuit. In nonlinear analysis, permeable crack conditions are used and the nonlinear effect of domain switching near a crack tip is considered using an energy-based switching criterion proposed by Hwang et al.（Acta Metal. Mater.,1995）. In open circuit, a large depolarization field induced by domain switching makes switching much more diffcult than that in short circuit. Analysis shows that the energy release rate in short circuit is still larger than that in open circuit, and is also larger than the linear result. Consequently,whether using linear or nonlinear fracture analysis, a crack is found easier to propagate in short circuit than in open circuit, which is consistent with the experimental observations of Kounga Njiwa et al.（Eng. Fract. Mech., 2006）.     

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.     

A phenomenological constitutive model for ferroelastic and ferroelectric hysteresis effects in ferroelectric ceramics

This paper is concerned with a macroscopic constitutive law for domain switching effects, which occur in ferroelectric ceramics. The three-dimensional model is thermodynamically consistent and is determined by two scalar valued functions: the Helmholtz free energy and a switching surface. In a kinematic hardening process the movement of the center of the switching surface is controlled by internal variables. In common usage, the remanent polarization and the irreversible strain are employed as internal variables. The novel aspect of the present work is to introduce an irreversible electric field, which serves instead of the remanent polarization as internal variable. The irreversible electric field has only theoretical meaning, but it makes the formulation very suitable for a finite element implementation, where displacements and the electric potential are the nodal degrees of freedom. The paper presents an appropriate implementation into a hexahedral finite brick element. The uni-axial constitutive model successfully reproduces the ferroelastic and the ferroelectric hysteresis as well as the butterfly hysteresis for ferroelectric ceramics. Furthermore it accounts for the mechanical depolarization effect, which occurs if the polarized ferroelectric ceramic is subjected to a compression stress.