Simulation of nonlinear properties of ferroelectric and piezoceramicmaterials

Ferroelectric and piezoelectric materials are becoming a very significant part of smart materials that are used widely as actuators, sensors and most common applications such as vibration control, precision positioning, precision cutting and microelectromechanical systems (MEMS). Piezoceramic materials show nonlinear characteristics when they are under high electromechanical loading. In this study, nonlinear behaviour of tetragonal perovskite type piezoceramic materials is simulated using micromechanical model. In the simulations uni‐axial loading is applied. The calculations which are based on a linear constitutive model, nonlinear domain switching model and a model of probability to switch are performed at each grain. The different domain switching effects (900 or 1800 domain switching for tetragonal perovskite structure) due to energy differences, different probability functions, different statistical random generators and material parameters are analyzed. Finally, simulation results are compared with the data of experiments are giving in literature. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Relaxation model of piezoelectric materials

Polarization switching inside grains is time dependent. When external applied loading is not quasi-static, macroscopic properties of piezoelectric materials changes with the rate of loading. In this paper, a 2-D micromechanical model is proposed in order to simulate the rate dependent properties of certain perovskite type tetragonal piezoelectric materials based on linear constitutive, nonlinear domain switching, intergranular effects and kinetics models. The material is electrically loaded with an alternating voltage of various frequencies. For the onset of domain switching, energy equation is implemented. Propagation of the domain wall during domain switching in grains is modeled by means of exponential kinetics relation after domain nucleation. Mechanical strain butterfly loops under different frequencies (0.01Hz–1Hz) are simulated. The model gives important insights into the rate dependency of the piezoelectric materials that have been observed in some experiments reported in the literature. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

畴极化转动对多晶铁电材料断裂特性的影响

主要基于细观力学方法揭示了畴极化转动对多晶铁电陶瓷的各向异性断裂特性的平均影响。首先,用Eshelby-Mori-Tanaka理论和统计模型分析了无穷大铁电材料体中一椭球夹杂的内、外电弹性场,得到畴极化转动对电弹性场的平均影响;其次,推导了等效多晶铁电陶瓷中含一钱币状裂纹的裂纹扩展力(能量释放率)G_ext,并用它估计了畴极化转动对多晶铁电陶瓷断裂特性的影响。对BaTiO₃陶瓷中裂纹扩展力的计算结果表明,对多晶铁电材料断裂特性分析必须考虑畴极化转动的影响。计算结果得出了与实验相一致的结论:在受较小的力时,外加电场对裂纹扩展产生较大的影响,而且在某种程度上能促进了裂纹扩展。     

Pseudoelasticity of Shape Memory Alloys - a 1D Material Model and Finite Element Implementation

This contribution is concerned with the formulation of a 1D-constitutive model accounting for the pseudoelastic behavior of shape memory alloys. The stress-strain-relationship is idealized by a hysteresis both in the compression as in the tension loading range. It is characterized by an upper loading path, which is to be ascribed to the transformation of the lattice to a martensitic structure. Unloading the material, a lower path is described, because of the reverse transformation into austenitic lattice. The constitutive model is based on a switching criterion which serves as a potential function for the evolution of the internal state variables. The model distinguishes between local and global variables to describe the hysteresis effects for the compression and tension range. A strain driven algorithm which captures the complete nonlinear material behavior is presented. The boundary value problem is solved for a truss element applying the finite element method. A consistent linearization of the nonlinear equations is derived. Simple examples will demonstrate the applicability of the proposed model. For future developments the usage of shape memory alloys within civil engineering structures is aimed. The advantage of the material is the very good damping behavior and the potential to overcome great strains. Both properties are distinguished to be of engineering interest. (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

An exact algorithm for the sequential ordering problem and its application to switching energy minimization in compilers

This article presents an exact algorithm for the precedence-constrained traveling salesman problem, which is also known as the sequential ordering problem. This NP-hard problem has applications in various domains, including operational research and compilers. In this article, the problem is presented and solved in the context of minimizing switching energy in compilers. Most previous work on minimizing switching energy in the compiler domain has been limited to simple heuristics that are not guaranteed to give an optimal solution. In this work, we present an exact algorithm for solving the switching energy minimization problem using a branch-and-bound approach. The proposed algorithm is simple and intuitive, yet powerful. It is the first exact algorithm for the switching energy problem that is shown to solve real instances of the problem within a few seconds per instance. Compared to previous work in the operational research domain, the proposed algorithm is believed to be the most powerful exact algorithm that does not require a linear programming formulation. The proposed algorithm is experimentally evaluated using instances taken from a production compiler. The results show that with a time limit of 10 ms per node, the proposed algorithm optimally solves 99.8 % of the instances. It optimally solves instances with up to 598 nodes within a few seconds. The resulting switching cost is 16 % less than that produced without energy awareness and 5 % less than that produced by a commonly used heuristic.     

A novel constitutive law for Silicon under contact loading

Silicon (Si) remains the most important semiconductor material to date. The understanding of its deformation behavior under contact (indenter-) loading is crucial to improving technologically relevant abrasive machining techniques (lapping, sawing, grinding). While it has been long established that Si undergoes a series of stress driven phase transitions upon compression and subsequent pressure release, to the authors' knowledge, no material model is available that adequately captures this behavior. In particular, reverse transformation in unloading has received too little attention. A novel phenomenological, thermomechanical model based on experimental observations and MD predictions is presented in this work. It captures both the cd-Si → β-Si transition upon compression and the β-Si → a-Si transition upon rapid decompression, which are most relevant for indenter loading. To control inelasticity in unloading, the dissipation function was augmented by a kinematic constraint on the tensorial internal variable. In stress space, the transformation surfaces are hyperboloids of revolution aligned along the hydrostatic axis. The non-linear model was numerically implemented in a finite element code using an iterative implicit algorithm and successfully applied to simple loading cases. (© 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

A micromechanically motivated model for ferroelectrics combined with polygonal finite elements

Piezoelectric materials are one of the most prominent smart materials due to their strong electromechanical coupling behaviour. Ferroelectric ceramics behave like piezoelectric materials under low electrical and mechanical loads, but exhibit pronounced nonlinear response at higher loads due to microscopic domain switching. Modern smart devices consist of complex geometries that may force the ferroelectrics employed within them to experience higher fields than they were originally designed for, so that the material responds within its nonlinear region. Hence, models predicting the nonlinear effects of ferroelectrics under complex loading cases are important from the design point of view. Within standard finite element models dealing with electromechanical problems, each grain may be subdiscretized by several finite elements. This problem can be approximated or rather overcome by a polygonal finite element method, where each grain is modelled by solely one single finite element. In this contribution, a micromechanically motivated switching model for ferroelectric ceramics, as based on volume fraction concepts, is combined with polygonal finite element approach. Related representative numerical examples allow to further study and understand the nonlinear response of this material under complex loading cases. (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

A 1D constitutive law for hysteresis effects in piezoceramics

This paper is concerned with a macroscopic constitutive law for domain switching effects, which occur in piezoelectric ceramics. The thermodynamical framework of the law is based on two scalar valued functions: the Helmholtz free energy and a switching surface. In common usage, the remanent polarization and the remanent strain are employed as internal variables. The novel aspect of the present work is to introduce an irreversible electric field, which serves besides the irreversible strain as internal variable. The irreversible electric field has only theoretical meaning, but leads to advantages within the finite element implementation, where displacement and the electric potential are the nodal degrees of freedoms. A common assumption is a one-to-one relation between the irreversible strain and the polarization. This simplification is not employed in the present paper. To accomplish enough space for the polarization, resulting from an applied electric field, the irreversible strains are additively split and a special hardening function is introduced. This balances the amount of space and the domain switching due to polarization. The constitutive model reproduces the ferroelastic and the ferroelectric hysteresis as well as the butterfly hysteresis for piezoelectric ceramics and it accounts for the mechanical depolarization effect. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Buckling Analysis of Carbon Nanotubes

In this work, an atomistic-continuum model is applied to single-walled carbon nanotubes. The constitutive behaviour is described by the interatomic Tersoff-Brenner potential. The coupling between atomistic deformation and the deformation of the continuum is done by an expanded Cauchy-Born rule. With the help of this model, the buckling behaviour of carbon nanotubes under different loading conditions is studied. Numerical simulation results are given for two different types of loading (axial compression, torsion). (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

High-precision modeling of deformation of laminated structures

Precise three-dimensional solutions for homogeneous, two- and three-layer plates of symmetric and nonsymmetric structure over their thickness with orthotropic layers in transverse symmetric and antisymmetric loading normal to the surface of the plates are given. It is shown that the character of stressed states under flexural (antisymmetric) and nonflexural (symmetric transverse compression) loading differs greatly. It is noted that the known refined continual models, which take into account the transverse shear and compression, are all essentially flexural and therefore cannot describe the nonflexural deformations well. In particular, continual shear models in symmetric pressure loading lead to zero solutions. A refined nonflexural continual model of deformation of sandwich plates in bilateral symmetric compression is constructed. The general order of resolving differential equations for continual models does not depend on the number of layers. Approximation functions of the transverse coordinate are obtained with the help of well-founded hypotheses. A high-accuracy variant of the flexural continual model is proposed for antisymmetric loading with account of shear and transverse normal strains, as well as a version combining both models mentioned. A method of precise satisfation of all the constitutive relations for the layers, including the conditions of their contact, is proposed, whereas in the known continual models the dependence between the transverse normal stress and strain is satisfied only integrally, or else the Poisson effect is neglected.Ukrainian State Academy of Water Management, Rovno, the Ukraine. Translated from Mekhanika Kompozitnykh Materialov, Vol. 35, No. 1, pp. 13–28, January–February, 1999.     

Deformation of cylindrical composite shells under combined dynamic loading

Conclusions A procedure has been shown for calculating the stress-strain state of cylindrical multilayer shells made from composite materials under the combined action of dynamic axial compression and dynamic external pressure, as well as with different variants of combined loading with static and dynamic forces. An investigation has been made of the effect on the mode of the buckled shell surface of the ratio of the application rate of dynamic loads; ranges of loading rates have been established in which stresses predominate caused either by axial compression or external pressure. It has been shown that, as a result of preliminary static loading, a marked change occurs in the initial imperfections of the shell mode which affects subsequent dynamic buckling. To calculate the time when the first defect occurs and its location in the shell body, a procedure has been devised for layer-by-layer strength analysis employing a tensor-polynomial criterion. It was demonstrated that the level of preliminary static loading noticeably affects the time until the first failure of the layer, not only a reduction of this time being possible with an increase in the static loads, but also an increase in it.We should also point out the work in [10] where it is shown that it is possible to weaken the susceptibility of the shell to initial imperfections when internal pressure is applied.Translated from Mekhanika Kompozitnykh Materialov, No. 3, pp. 461–473, May–June, 1981.     

混凝土材料的粘塑性损伤本构模型

基于不可逆热力学,引入运动硬化、等向硬化和损伤内变量,构造了相应的自由能函数和流动势函数,推导出了混凝土材料的粘塑性损伤本构模型．数值模拟的结果表明,该模型能够避开屈服面和破坏准则的基本假设来描述混凝土材料的以下特性:压缩载荷作用下的体积膨胀现象;应变率敏感性;峰值后由损伤和破坏引起的应力软化和刚度退化现象A·D2由于此模型避开了根据各种变形阶段选择与其相应的本构模型的繁琐计算,因此更便于纳入复杂工况下应力分析有限元程序中．     

Multiaxial constitutive modeling of aircraft engine materials

Based on a newly developed theory (Lu and Weng, Acta Mech., in press) the high temperature behavior of an aircraft engine material is studied under combined stress state. Both monotonic and cyclic deformations are examined to uncover its stress-strain response, as well as its cyclic hardening and strain-ratchetting characteristics. Under a biaxial loading it is disclosed that tensile cyclic hardening is greatly magnified with a superimposed lateral tension, whereas the strain-ratchetting process is led to an enhanced, unsettling state with a superimposed lateral compression. The biaxial transient and steady-state creep strains have also been calculated. The results suggest that while a superimposed lateral tension will inhibit the creep deformation, a lateral compression can greatly promote the inelastic flow. To reflect the practical service conditions of an aircraft engine, the theory is further applied to examine the effect of loading frequency on the development of inelastic strains under concurrent thermal and mechanical loading. It is found that a more frequently flying aircraft will have a greater accumulation of creep strains and, consequently, a greater possibility of material damage in its engine components over the same total flying time.     

Impedance eduction from energy dissipation measurements with flow

An optimization method for the calculation of the wall impedance of a perforate from measurements under grazing flow conditions is presented. It is in particular characterized by the simultaneous eduction of the parameter set defining the impedance as function of frequency, which allows interpolation and extrapolation. The Extended Helmholtz Resonator is applied as impedance model and the simultaneous eduction is performed using a time–domain CAA method. Furthermore, the method uses processed energy data from experiments to define the objective function. The results give an insight in the effect of bias flow on the wall impedance under grazing flow conditions. It proves to be an important acoustic design parameter. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

On domain switching in deformable ferroelectrics, seen as continua with microstructure

We obtain a three-dimensional continuum model for deformable ferroelectric bodies in their polar phase characterized by a spontaneous polarization. This is accomplished by assuming the body as comprised of a continuum with vectorial microstructure: in each point of the body therefore a gross and a fine structure are superposed, the gross structure representing a non linear polarizable elastic body and the vectorial fine structure describing the spontaneous polarization.¶Among the distinctive features of ferroelectric materials, the most interesting is represented by the organization of spontaneous polarization into a domain structure, which minimizes electrostatic energy and which can be modified by the application of electric and deformation fields. This process, called "polarization reversal" or "domain switching", is associated with various hysteresis loops, the most typical being those between spontaneous polarization and electric field (dielectric hysteresis), and between strain and electric field ("butterfly" loop).¶From the balance laws of continua with vectorial microstructure and dissipation inequality we arrive at the evolution equation for the spontaneous polarization which allows for both inertial and dissipative terms and describes domain switching. We postulate a simple interaction mechanism between the spontaneous polarization and the pair electric field, deformation and arrive at, in the quasi-static case, to a minimization problem for a functional which reminds the micromagnetic energy of deformable ferromagnetics.¶For linearized kinematics we study, in the one-dimensional case, stable relative minimizers and give a simple justification for dielectric hysteresis and butterfly loops: under the hypothesis that the domain walls are sharp interfaces, the solutions we find explain the banded twin domains morphology which is typical of many ferroelectrics.     

Toughening effect of ferroelectric ceramics induced by domain switching and dislocations

The multi-scale analysis of fracture toughness of ferroelectric ceramics under complicate mechanical–electrical coupling effect is carried out in this paper. The generalized stress intensity factor (SIF) arising from spontaneous strains and polarization transformation in switching domain zones is accurately obtained by using an extended Eshelby theory. Taking BaTiO₃ ferroelectric ceramic for example, it is discovered that the crack propagation can be induced by domain switching arising from negative electrical field when the crack surface is parallel to the isotropic plane, and the obtained critical electric displacement intensity factor (EDIF) approximates closely to that obtained by the Green’s function method. Additionally, as pinning dislocations and slip dislocations can strongly influence properties of ferroelectric devices and induce the property degradation, it is necessary to investigate the dislocation toughening effects on fatigue and fracture mechanisms. The results show that the dislocation shielding and anti-shielding effects on mode II SIF, mode I SIF and EDIF are obviously different when a dislocation locates at a position near the crack tip. Through the calculation of the critical applied EDIF for crack propagation by using mechanical energy release rate (MERR) theory, it is discovered that the slip angles obviously influence fracture toughness, and the mode II SIF arising from dislocation has little influence on fracture toughness, however, the mode I SIF and EDIF arising from dislocation have great influences on fracture toughness.     

Elastic buckling and vibration analyses of orthotropic nanoplates using nonlocal continuum mechanics and spline finite strip method

This paper addresses the elastic buckling and vibration characteristics of isotropic and orthotropic nanoplates using finite strip method. In order to consider small scale effect, Eringen’s nonlocal continuum elasticity is employed. The governing nanoplate equations are derived using the principle of virtual work while B3-spline finite strip method is applied to the buckling and vibration analyses. The buckling load and vibration frequency of graphene sheets, which are subjected to biaxial compression and pure shear loading, are determined whilst the effects of different parameters such as sheet size, nonlocal parameter, aspect ratio and boundary conditions are investigated. The interaction curves of the critical biaxial compression loading as well as the interaction curves of the critical uniaxial compression and shear loading are also obtained. It is shown that small scale effect plays considerable role in the analysis of small sizes plates.     

Drift-diffusion in electrochemistry: thresholds for boundary flux and discontinuous optical generation

We consider an extension of the classical drift-diffusion model, which incorporates thermodynamic switching rules for generation and boundary flux. The motivation is the important case of the splitting of water molecules upon photonic irradiation of a semiconductor electrode located in an electrochemical cell. The solid state electrode forms the spatial domain of the model. The rules are motivated by the fact that the valence band of the semiconductor, which supplies positive charge to solution, has to be located at a lower energy level than the electrochemical potential of O₂ evolution in solution, and the conduction band, which supplies electrons to solution, has to be positioned at a higher energy level than the electrochemical potential of H₂ evolution. This defines thresholds in terms of electrochemical potentials before boundary flux is activated. The optical generation rate is affected, due to the increased carrier relaxation time, when these thresholds are crossed, and may be discontinuous. We thus consider a self-consistent model, in which ‘switching’ occurs only in principal variables. The steady-state model is considered, and trapping regions are derived for the solutions.     

Particular case of twinning in a planar nine-atom model

The twinning curve of a planar nine-atom model under unsymmetrical loading has been calculated. The equilibrium forms of the model under compression were determined.