A brick model for asperity sintering and creep of APS TBCs

A micromechanical model is developed for the microstructural evolution of an air plasma sprayed (APS), thermal barrier coating: discrete, brick-like splats progressively sinter together at contacting asperities and also undergo Coble creep within each splat. The main microstructural features are captured: the shape, orientation and distribution of asperities between disc-shaped splats, and the presence of columnar grains within each splat. Elasticity is accounted for at the asperity contacts and within each splat, and the high contact compliance explains the fact that APS coatings have a much lower modulus (and thermal conductivity) than that of the parent, fully dense solid. The macroscopic elastic, sintering and creep responses are taken to be transversely isotropic, and remain so with microstructural evolution. Despite the large number of geometric and kinetic parameters, the main features of the behaviour are captured by a small number of characteristic material timescales: these reveal the competition between the deformation mechanisms and identify the rate controlling processes for both free and constrained sintering. The evolution of macroscopic strain, moduli and asperity size is compared for free and constrained sintering, and the level of in-plane stress within a constrained coating is predicted.     

Grain-boundary sliding and separation in polycrystalline metals: application to nanocrystalline fcc metals

In order to model the effects of grain boundaries in polycrystalline materials we have coupled a crystal-plasticity model for the grain interiors with a new elastic-plastic grain-boundary interface model which accounts for both reversible elastic, as well irreversible inelastic sliding-separation deformations at the grain boundaries prior to failure. We have used this new computational capability to study the deformation and fracture response of nanocrystalline nickel. The results from the simulations reflect the macroscopic experimentally observed tensile stress-strain curves, and the dominant microstructural fracture mechanisms in this material. The macroscopically observed nonlinearity in the stress-strain response is mainly due to the inelastic response of the grain boundaries. Plastic deformation in the interior of the grains prior to the formation of grain-boundary cracks was rarely observed. The stress concentrations at the tips of the distributed grain-boundary cracks, and at grain-boundary triple junctions, cause a limited amount of plastic deformation in the high-strength grain interiors. The competition of grain-boundary deformation with that in the grain interiors determines the observed macroscopic stress-strain response, and the overall ductility. In nanocrystalline nickel, the high-yield strength of the grain interiors and relatively weaker grain-boundary interfaces account for the low ductility of this material in tension.     

Effects of lattice misorientations on strain heterogeneities in FCC polycrystals

It is well documented that the highly heterogeneous deformation behaviour and lattice rotation typically observed within grains in a polycrystal are attributed to microstructural features such as grain structure, topology, size, etc. In this work, the effects of low- and high-angle grain boundaries on the mechanical behaviour of FCC polycrystals are investigated using a micro-mechanical model based on crystal plasticity theory. The constitutive framework relies on dislocation mechanics concepts to describe the plastic deformation behaviour of FCC metallic crystals and is validated by comparing the measured and predicted local and macroscopic deformation behaviour in a thin Al-0.5% Mg polycrystal tensile specimen containing a relatively small number of surface grains. Comparisons at the microscopic (e.g. local slip distribution) and macroscopic (e.g. average stress-strain response) levels elucidate the role of low-angle grain boundaries, which are found to have a profound effect on both the local and average deformation behaviour of FCC polycrystals with a small number of grains. However, this effect diminishes when the number of grains increases and becomes negligible in bulk polycrystals. In light of the widely accepted view that high-angle grain boundaries strongly influence the mechanical behaviour of very fine-grained metals, this work has shown that low-angle grain boundaries can also play an equally important role in the deformation behaviour of polycrystals with a relatively small number of grains.     

Micromechanical analysis of kinematic hardening in natural clay

This paper presents a micromechanical analysis of the macroscopic behaviour of natural clay. A microstructural stress–strain model for clayey material has been developed which considers clay as a collection of clusters. The deformation of a representative volume of the material is generated by mobilizing and compressing all the clusters along their contact planes. Numerical simulations of multistage drained triaxial stress paths on Otaniemi clay have been performed and compared the numerical results to the experimental ones in order to validate the modelling approach. Then, the numerical results obtained at the microscopic level were analysed in order to explain the induced anisotropy observed in the clay behaviour at the macroscopic level. The evolution of the state variables at each contact plane during loading can explain the changes in shape and position in the stress space of the yield surface at the macroscopic level, as well as the rotation of the axes of anisotropy of the material.     

钙质砂与结构接触面的本构模型研究

基于接触面的宏、细观物理特征,建立了单调加载条件下钙质砂与结构接触面的弹塑性增量本构关系。从接触面的宏观条件上考虑,该模型将弹性模量取为法向压力的指数函数,采用非关联流动法则和Mohr-columb屈服函数,以及切向塑性功为硬化参量,适用于多数接触摩擦问题。在细观上将滑动面抽象为锯齿面,同时将摩擦系数取为塑性功的双曲线函数,以考虑钙质砂颗粒破碎对接触面力学特性的影响。模型概念简单、参数较少,通过理论计算与钙质砂拉拔试验结果比较,显示了模型的合理性。     

Forming simulation of aluminum sheets using an anisotropic yield function coupled with crystal plasticity theory

This paper describes the application of a coupled crystal plasticity based microstructural model with an anisotropic yield criterion to compute a 3D yield surface of a textured aluminum sheet (continuous cast AA5754 aluminum sheet). Both the in-plane and out-of-plane deformation characteristics of the sheet material have been generated from the measured initial texture and the uniaxial tensile curve along the rolling direction of the sheet by employing a rate-dependent crystal plasticity model. It is shown that the stress–strain curves and R-value distribution in all orientations of the sheet surface can be modeled accurately by crystal plasticity if a “finite element per grain” unit cell model is used that accounts for non-uniform deformation as well as grain interactions. In particular, the polycrystal calculation using the Bassani and Wu (1991) single crystal hardening law and experimental electron backscatter data as input has been shown to be accurate enough to substitute experimental data by crystal plasticity data for calibration of macroscopic yield functions. The macroscopic anisotropic yield criterion CPB06ex2 (Plunkett et al., 2008) has been calibrated using the results of the polycrystal calculations and the experimental data from mechanical tests. The coupled model is validated by comparing its predictions with the anisotropy in the experimental yield stress ratio and strain ratios at 15% tensile deformation. The biaxial section of the 3D yield surface calculated directly by crystal plasticity model and that predicted by the phenomenological model calibrated with experimental and crystal plasticity data are also compared. The good agreement shows the strength of the approach. Although in this paper, the Plunkett et al. (2008) yield function is used, the proposed methodology is general and can be applied to any yield function. The results presented here represent a robust demonstration of implementing microscale crystal plasticity simulation with measured texture data and hardening laws in macroscale yield criterion simulations in an accurate manner.     

考虑微观结构特征长度演化的内变量黏塑性本构模型

在金属晶体材料高应变率大应变变形过程中,存在强烈的位错胞尺寸等微观结构特征长度细化现象,势必对材料加工硬化、宏观塑性流动应力产生重要影响。基于宏观塑性流动应力与位错胞尺寸成反比关系,提出了一种新型的BCJ本构模型。利用位错胞尺寸参数,修正了BCJ模型的流动法则、内变量演化方程,引入了考虑应变率和温度相关性的位错胞尺寸演化方程,建立了综合考虑微观结构特征长度演化、位错累积与湮灭的内变量黏塑性本构模型。应用本文模型,对OFHC铜应变率在10-4~103 s-1、温度在298~542 K、应变在0~1的实验应力-应变数据进行了预测。结果表明:在较宽应变率、温度和应变范围内,本文模型的预测数据与实验吻合很好;与BCJ模型相比,对不同加载条件下实验数据的预测精度均有较大程度的提高,最大平均相对误差从9.939%减小为5.525%。     

A probabilistic approach to the numerical homogenization of irregular solid foams in the finite strain regime

The present study is concerned with the numerical homogenization of hyperelastic two-dimensional model foams with irregular microstructure under large macroscopic deformation. In contrast to the standard procedure of a single analysis of a large-scale representative volume element where the microstructure is determined by means of a Voronoi tesselation or a similar method, the present study proposes a direct probabilistic approach based on the multiple analysis of small-scale representative volume elements with randomized microstructure. Advantage of this method compared to the standard procedures is the possibility of a proper stochastic assessment of the simulation results. Especially, the scatter which has to be expected in the stress–strain response of the effective material becomes accessible in terms of the standard deviation. In a number of parameter studies it is observed that an increasing microstructural disorder results in a decrease of the effective stiffness of cellular solids due to variations in the underlying microstructural mechanisms of deformation.     

Microstructural parameters affecting creep induced load shedding in Ti-6242 by a size dependent crystal plasticity FE model

This paper is aimed at identifying critical microstructural parameters that cause local stress concentration due to load shedding between microstructural regions of varying strengths. This stress is viewed as one of the fundamental reasons for crack initiation in Ti-6242. A rate dependent, anisotropic, elasto-crystal plasticity based finite element model (CPFEM) for poly-phase Ti-6242 is used in this study to identify the critical variables responsible for localized stress concentration due to load shedding. The model can account for various microstructural features like grain size, orientation and misorientation distributions. Various microstructural variables, such as crystal orientation, misorientation, grain size, Schmid factor and composition of phases, are considered in a detailed parametric study. Critical combinations of these parameters that result in high stress due to load shedding are identified. Finally, load shedding in a microstructure model of polycrystalline Ti-6242 is discussed from the results of CPFEM simulations. The model is statistically equivalent with respect to features observed in OIM scans.     

Elasticity and strength of partially sintered ceramics

A discrete element model for the elastic and fracture behavior of partially sintered ceramics is presented. It accounts for the granular character of the material when a large amount of porosity (typically >0.2-0.4) is left after sintering. The model uses elastic force-displacement laws to represent the bond formed between particles during sintering. Bond fracture in tension and shearing is accounted for in the model. Realistic numerical microstructures are generated using a sintering model on random particle packings. In particular, packings with fugitive pore formers are used to create partially sintered microstructures with large pores. The effective elastic response and the strength of these microstructures are calculated in tension and compression. The link between important microstructural features such as bond size or coordination number and macroscopic behavior is investigated. In particular, it is shown that porosity alone is not sufficient to account for the mechanical properties of a partially sintered material.     

Effect of microstructure on the nucleation of deformation twins in polycrystalline high-purity magnesium: A multi-scale modeling study

A multi-scale, theoretical study of twin nucleation from grain boundaries in polycrystalline hexagonal close packed (hcp) metals is presented. A key element in the model is a probability theory for the nucleation of deformation twins based on the idea that twins originate from a statistical distribution of defects in the grain boundaries and are activated by local stresses at the grain boundaries. In this work, this theory is integrated into a crystal plasticity constitutive model in order to study the influence of these statistical effects on the microstructural evolution of the polycrystal, such as texture and twin volume fraction. Recently, a statistical analysis of exceptionally large data sets of {101?2} deformation twins was conducted for high-purity Mg (Beyerlein et al., 2010a). To demonstrate the significantly enhanced accuracy of the present model over those employing more conventional, deterministic approaches to twin activation, the model is applied to the case of {101?2} twinning in Mg to quantitatively interpret the many statistical features reported for these twins (e.g., variant selection, thickness, numbers per grain) and their relationship to crystallographic grain orientation, grain size, and grain boundary misorientation angle. Notably the model explains the weak relationship observed between crystal orientation and twin variant selection and the strong correlation found between grain size and the number of twins formed per grain. The predictions suggest that stress fluctuations generated at grain boundaries are responsible for experimentally observed dispersions in twin variant selection.     

应力作用下NiTi形状记忆合金微结构演化的相场模拟及其本征应变率敏感性

基于Ginzburg-Landau动力学控制方程建立了NiTi形状记忆合金非等温相场模型,实现了对NiTi合金内应力诱导马氏体相变的数值模拟。同时将晶界能密度引入系统局部自由能密度,从而考虑多晶系统中晶界的重要作用。数值计算了单晶和多晶NiTi形状记忆合金在单轴机械载荷作用下微结构的动态演化过程和宏观力学行为,并重点研究了晶粒尺寸为60 nm的NiTi纳米多晶在低应变率下（0.000 5～15 s-1）力学行为的本征应变率敏感性。研究结果表明,单晶NiTi合金系统高温拉伸-卸载过程中马氏体相变均匀发生,未形成奥氏体-马氏体界面。而纳米多晶系统在加载阶段出现了马氏体带的形成-扩展现象,在卸载阶段出现了马氏体带的收缩-消失现象。相同外载作用过程中,NiTi单晶系统的宏观应力-应变曲线具有更大的滞回环面积,拥有更优的超弹性变形能力。计算结果显示,在中低应变率下纳米晶NiTi形状记忆合金应力-应变关系表现出较明显的应变率相关性,应变率升高导致材料相变应力提升。这一应变率相关性主要源于相场模型中外加载荷速率与马氏体空间演化速度的相互竞争关系。     

Modelling of stress softening in elastomeric materials: foundations of simple theories

This work is concerned with formulation of constitutive relations for materials exhibiting the stress softening phenomenon (known as the Mullins effect) typical observed in elastomeric and other amorphous materials during loading–reloading cycles. It is assumed that microstructural changes in such materials during the deformation process can be represented by a single scalar-valued softening variable whose evolution is accompanied by microforces satisfying their own law of balance, besides the classical laws of mechanics underlying macroscopic deformation of a material. The constitutive equations are then derived in consistency with thermodynamics of irreversible processes with the restriction to purely mechanical theory. The general form of the derived constitutive equations is subsequently simplified through introduction of additional assumptions leading to various models of the stress softening phenomenon. As an illustration of the general theory, it is shown that the so-called pseudo-elastic model proposed in the literature may be derived without an ad hoc postulate of the variational principle.     

Modelling multi-scale deformation of amorphous glassy polymers with experimentally motivated evolution of the microstructure

Novel experimental data, obtained recently using advanced multi-scale experiments, have been used to develop a micro-mechanically motivated constitutive model for amorphous glassy polymers. Taking advantage of the experiments, the model makes use of a microstructural deformation gradient to incorporate the experimentally obtained deformation of the microstructure, as well as its evolving orientation. By comparing results from the model to experimental data, it is shown that the proposed approach is able to accurately predict glassy polymer deformation over a wide range of length-scales, from the macroscopic response (mm range) down to the deformation of the microstructure (nm range). The proposed model is evaluated by comparing the numerical response to experimental results on multiple scales from an inhomogeneous cold drawing experiment of glassy polycarbonate. Besides the macroscopic force–displacement response, a qualitative comparison of the deformation field at the surface of the specimen is performed. Furthermore, the predicted evolution of the fabric orientation is compared to experimental results obtained from X-ray scattering experiments. The model shows very good agreement with the experimental data over a wide range of length scales.     

The crack tip zone shielding effect for ductile particle reinforced brittle materials

The crack tip zone shielding effect for the ductile particle reinforced brittle materials is analyzed by using a micromechanics constitutive theory. The theory is developed here to determine the elastoplastic constitutive behavior of the composite. The elastoplastic particles, with isotropic or kinematical hardening, are uniformly dispersed in the brittle elastic matrix. The method proposed is based on the Mori-Tanaka's concept of average stress in the composite. The macroscopic yielding condition and the incremental stress strain relation of the composite during plastic deformation are explicity given in terms of the macroscopioc applied stress and the microstructural parameters of the composite such as the volume fraction and yield stress of ductile particles, elastic constants of the two phases, etc. Finally, the contribution of the plastic deformation in the particles near a crack tip to the toughening of the composite is evaluated. The project supported by National Natural Science Foundation of China     

The effect of microstructural representation on simulations of microplastic ratcheting

This paper assesses the sensitivity of cyclic plasticity to microstructure morphology by examining and comparing the microplastic ratcheting behavior of different idealized microstructures (square, hexagonal, tessellated, and digitized from experimental data). This analysis demonstrates the sensitivity of computational accuracy to the various approximations in microstructural representation. The methodology used to perform this study relies on a coupling between microstructural characterization, mechanical testing and numerical simulations to investigate the influence of the microstructure on the purely tensile uniaxial microplastic ratcheting behavior of pure nickel polycrystals. The morphology and deformation behavior of polycrystals were characterized using electron back-scatter diffraction (EBSD), while a finite element model (FEM) of crystal plasticity was used in a computational framework. The predicted cyclic behavior is compared to experimental results both at the macroscopic and microstructural scales. The stress–strain response is less sensitive to the details of the microstructural representation than might be expected with all representations displaying similar macroscopic constitutive response. However, the details of the plastic strain distribution at the microstructural scale and the related estimations of damage mechanics vary substantially from one microstructural representation to another.     

A statistical model of brittle fracture by transgranular cleavage

A model for brittle fracture by transgranular cleavage cracking is presented based on the application of weakest link statistics to the critical microstructural fracture mechanisms. The model permits prediction of the macroscopic fracture toughness, K_Ic, in single phase microstructures containing a known distribution of particles, and defines the critical distance from the crack tip at which the initial cracking event is most probable. The model is developed for unstable fracture ahead of a sharp crack considering both linear elastic and nonlinear elastic (“elastic/plastic”) crack tip stress fields. Predictions are evaluated by comparison with experimental results on the low temperature flow and fracture behavior of a low carbon mild steel with a simple ferrite/grain boundary carbide microstructure.     

A Micromechanics Finite-Strain Constitutive Model of Fibrous Tissue

Biological tissues have unique mechanical properties due to the wavy fibrous collagen and elastin microstructure. In inflation, a vessel easily distends under low pressure but becomes stiffer when the fibers are straightened to take up the load. The current microstructural models of blood vessels assume affine deformation, i.e., the deformation of each fiber is assumed to be identical to the macroscopic deformation of the tissue. This uniform-field (UF) assumption leads to the macroscopic (or effective) strain energy of the tissue that is the volumetric sum of the contributions of the tissue components. Here, a micromechanics-based constitutive model of fibrous tissue is developed to remove the affine assumption and to take into consideration the heterogeneous interactions between the fibers and the ground substance. The development is based on the framework of a recently developed second-order homogenization theory, and takes into account the waviness, orientations and spatial distribution of the fibers, as well as the material nonlinearity at finite-strain deformation. In an illustrative simulation, the predictions of the macroscopic stress-strain relation and the statistical deformation of the fibers are compared to the UF model, as well as finite-element (FE) simulation. Our predictions agree well with the FE results, while the UF predictions significantly overestimate. The effects of fiber distribution and waviness on the macroscopic stress-strain relation are also investigated. The present mathematical model may serves as a foundation for native as well as for engineered tissues and biomaterials.     

On the modeling of evolving anisotropy and large strains in pearlitic steel

A phenomenological model for deformation induced evolution of anisotropy at large strains in pearlitic steel is proposed. The modeled anisotropy is based on a homogenization of an ideal pearlitic microstructure. An areal affine type of reorientation is assumed for the individual grains. Furthermore, a yield criterion of the Hill type is proposed and motivated from the grain reorientation. In each pearlitic grain the cementite lamellas have a privileged direction. The symmetry group of each individual grain is therefore considered transversally isotropic. In a virgin material, the privileged directions of the different grains are randomly oriented, which allows for the interpretation that the material on the macroscopic length scale is initially isotropic. However, the cementite lamellas in the grains tend to align after large stretching or shearing deformation. The modeled evolution of anisotropy on the macroscopic length scale shows a saturation characteristics under large deformations.