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.     

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.     

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.     

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.     

Energy principle of ferroelectric ceramics and single domain mechanical model

Many physical experiments have shown that the domain switching in a ferroelectric material is a complicated evolution process of the domain wall with the variation of stress and electric field. According to this mechanism, the volume fraction of the domain switching is introduced in the constitutive law of ferroelectric ceramic and used to study the nonlinear constitutive behavior of ferroelectric body in this paper. The principle of stationary total energy is put forward in which the basic unknown quantities are the displacement u _i , electric displacement D _i and volume fraction ρ _I of the domain switching for the variant I. Mechanical field equation and a new domain switching criterion are obtained from the principle of stationary total energy. The domain switching criterion proposed in this paper is an expansion and development of the energy criterion. On the basis of the domain switching criterion, a set of linear algebraic equations for the volume fraction ρ _I of domain switching is obtained, in which the coefficients of the linear algebraic equations only contain the unknown strain and electric fields. Then a single domain mechanical model is proposed in this paper. The poled ferroelectric specimen is considered as a transversely isotropic single domain. By using the partial experimental results, the hardening relation between the driving force of domain switching and the volume fraction of domain switching can be calibrated. Then the electromechanical response can be calculated on the basis of the calibrated hardening relation. The results involve the electric butterfly shaped curves of axial strain versus axial electric field, the hysteresis loops of electric displacement versus electric filed and the evolution process of the domain switching in the ferroelectric specimens under uniaxial coupled stress and electric field loading. The present theoretic prediction agrees reasonably with the experimental results given by Lynch. The project supported by the National Natural Science Foundation of China (10572138).     

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.     

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.     

Effect of electric fields on fracture behavior of ferroelectric ceramics

The asymptotic problem of a semi-infinite crack perpendicular to the poling direction in a ferroelectric ceramic subjected to combined electric and mechanical loading is analyzed to investigate effect of electric fields on fracture behavior. Electromechanical coupling induced by the piezoelectric effect is neglected in this paper. The shape and size of the switching zone is shown to depend strongly on the relative magnitude between the applied electric field and stress field as well as on the ratio of the coercive electric field to the yield electric field. A universal relation between the crack tip stress intensity factor and the applied intensity factors of stress and electric field under small-scale conditions is obtained from the solution of the switching zone. It is found that the ratio of the coercive electric field to the yield electric field plays a significant role in determining the enhancement or reduction of the crack tip stress intensity factor. The fracture toughness variation of ferroelectrics under combined electric and mechanical loading is also discussed.     

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。     

Study on fracture behavior of ferroelectric ceramics under combined electromechanical loading by using a moiré interferometry technique

This paper discusses an in situ observation of fracture behavior around a crack tip in ferroelectric ceramics under combined electromechanical loading by use of a moiré interferometry technique. The deformation field induced by the electric field and the stress concentration near the crack tip in three-points bending experiments was measured. By analysis of the moiré images it is found that under a constant mechanical load, the electric field almost has no effect on the crack extension in the case that the directions of the poling, electric field and crack extension are perpendicular to each other. When the poling direction is parallel to the crack extension direction and perpendicular to the electric field, the strain decreases faster than that calculated by FEM with and without electrical loading as one goes away from the crack tip. In addition, as the electric field intensity increases, the strain near the crack tip increases, and the strain concentration becomes more significant. The project supported by the National Natural Science Foundation of China (10132010, 10025209, 10232023)     

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)     

Tuning of non-uniform switch toughening in ferroelectric composites by an electric field

This paper deals with a mode III interfacial crack subject to anti-plane stress and in-plane electric fields. The analysis concentrates on the tuning of fracture toughness from non-uniform ferroelectric-ferroelastic domain switch-ing by an electric field. The electric loading changes the size of the asymmetric switching zone. Employing the weight function method, we obtain the electrically-dependent switch toughening for stationary and quasi-static growing interfacial cracks, respectively. Multi-domain solutions are derived for non-poled and fully-poled ferroelectric composites. Numer-ical results are presented on the electric field tuning of the critical applied stress intensity factor. The research provides ways to optimize fracture properties of ferroelectric compos-ites by altering the electric field.     

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）.     

Influence of domain switching zones on the fracture toughness of ferroelectrics

The paper presents a fracture model for ferroelectric materials taking into account the hysteretic domain switching processes near to the tip of a macroscopic crack. The model is based on the balance of energy supplied by the driving forces, on the one hand, and the total of energies either dissipated by domain switching, stored in the crack wake region or consumed by the formation of new fracture surface, on the other hand. An internal variable theory describes the nonlinear coupled electromechanical material response within the framework of a three-dimensional continuum model. For simplicity, the complex orientation distribution function of domains in a polycrystalline ceramic is approximated by only six representative space orientations. The theory predicts certain dimensionless material parameter combinations which govern the change of fracture toughness under the application of different mechanical and electrical loadings. A comparison with data available in the literature for barium titanate ceramics yields a reasonable coincidence.     

Effect of electric displacement saturation on the hysteretic behavior of ferroelectric ceramics and the initiation and propagation of cracks in piezoelectric ceramics

This paper presents a computational investigation of a proposed simplified account for electric displacement saturation on the hysteretic behavior of initially unpoled ferroelectric ceramics as well as on the initiation and propagation of cracks in poled ferroelectric ceramics within the linear regime of piezoelectricity. For the latter case, experimental observations suggest an odd dependency of the onset of crack initiation in these brittle materials on the orientation of the applied electric field with respect to their poling direction which contradicts theoretical results which propose an even dependency of the energy release rate on the applied electric field within the framework of anisotropic linear piezoelectricity. Electric non-linearities arising at regions of inhomogeneities such as inclusions or at the crack tip are proposed in the literature to avoid this discrepancy. Electric displacement saturation is one such non-linear effect which is investigated in this work. A simplified account of this effect is proposed based on an exponential saturation model of the identified material parameters which can be related to this non-linearity. Its advantage over the superposition of a complex function onto the singular solution of a crack within the framework of linear piezoelectricity lies in the straightforward extension of the proposed approach to problems where no analytical solutions exist. This is outlined based on its incorporation into a rate-dependent ferroelectric model accounting for polarization switching as well as based on its incorporation into a finite element framework capable of simulating the initiation and propagation of cracks in piezoelectric ceramics through strong discontinuities in the displacement field and the electric potential. It is shown that besides the determination of the crack initiation onset also the crack propagation direction is influenced by the appearance of saturation zones arising at the crack tip normal to the polarization direction. The numerically obtained crack paths are found to be close to the experimentally reported results.     

An energy-consistent fracture model for ferroelectrics

The fracture behavior of ferroelectrics has been intensively studied in recent decades, though currently a widely accepted fracture mechanism is still lacking. In this work, enlightened by previous experimental observations that crack propagation in ferroelectrics is always accompa-nied by domain switching, we propose a micromechanical model in which both crack propagation and domain switch-ing are controlled by energy-based criteria. Both electric energy and mechanical energy can induce domain switching, while only mechanical energy can drive crack propagation. Furthermore, constrained domain switching is considered in this model, leading to the gradient domain switching zone near the crack tip. Analysis results show that stress-induced ferroelastic switching always has a toughening effect as the mechanical energy release rate serves as the driving force for both fracture and domain switching. In compari-son, the electric-field-induced switching may have either a toughening or detoughening effect. The proposed model can qualitatively agree with the existing experimental results.     

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.     

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.     

Thermodynamic driving force in ferroelectric crystals with a rank-2 laminated domain pattern, and a study of enhanced electrostriction

The thermodynamic driving force for domain growth in a rank-2 laminated ferroelectric crystal is derived in this article, and we used it, together with a homogenization theory, to study the issue of enhanced electrostrictive actuation recently reported by Burcsu et al. [2004. Large electrostrictive actuation of barium titanate single crystals. J. Mech. Phys. Solids 52, 823-846]. We derived this force from the reduction of Gibbs free energy with respect to the increase of domain concentration. It is shown that both the free energy and the thermodynamic force consist of three parts: the first arises from the difference in M₀ and M₁, the linear electromechanical compliances of the parent and product domains, respectively, at a given level of applied stress and electric field, the second stems from the electromechanical work associated with the change of spontaneous strain and spontaneous polarization during domain switch, and the third from the internal energy due to the distribution of polarizations strain and electric polarization inside the crystal. We prove that the first term is substantially lower than the second one, and the third one is identically zero with compatible domain pattern. The second one is, however, not exactly equal to the commonly written sum of the products of stress with strain, and electric field with polarization during switch, unless both domains have identical moduli in the common global axes. We also show that, with compatible domain patterns and when M₁=M₀, this driving force is identical to Eshelby's driving force acting on a flat interface due to the jump of energy-momentum tensor. Applications of the theory to a BaTiO₃ crystal subjected to a fixed axial compression and decreasing electric field from the [0 0 1] state reveal that the crystal undergoes a three-stage switching process: (i) the 0→90° switch to form a rank-1 laminate, (ii) the 0→180° switch inside the 0° domain to form a laminate I with a concurrent 90°→−90° switch inside the 90° domain to form laminate II, creating a rank-2-laminated domain pattern, and (iii) finally the 90→180° switch. It is the exchange of stability between the 0, 90°, and 180° domains under compression and electric field that is the origin of the enhanced actuation. We illustrate these intrinsic features by showing the evolution of these domains, and demonstrate how the reported large actuation strain can be attained with a rank-2 laminate.     

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。