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.     

A crack on the grain boundary — An analysis based on crystal plasticity theory

The influence of the mismatch of the lattice orientation on the deformation and stress fields of a crack located on the grain boundary is studied by means of the finite-element analysis taking account of finite deformatio and finite lattice rotation. The plane strain calculations for an fcc crystal subjected to mode I loading are performed on the basis of the crystalline plasticity described by a planar three-slip model. For the crack-tip shapes and the dominant deformation modes on slip systems, results of all the cases analysed here are in qualitative agreement with the earlier analytical and numerical solutions. Our results indicate that the lattice orientation difference may greatly influence the shear stress along the grain boundary which is related to grain-boundary sliding, while the normal stress along the grain boundary, which may induce cleavage fracture, is virtually insensitive to it. The influence of the lattice orientations on the crack-tip fields is also investigated under small-scale-yielding conditions and the comparison with the results of finite deformation is made.     

Intergranular strain evolution near fatigue crack tips in polycrystalline metals

The deformation field near a steady fatigue crack includes a plastic zone in front of the crack tip and a plastic wake behind it, and the magnitude, distribution, and history of the residual strain along the crack path depend on the stress multiaxiality, material properties, and history of stress intensity factor and crack growth rate. An in situ, full-field, non-destructive measurement of lattice strain (which relies on the intergranular interactions of the inhomogeneous deformation fields in neighboring grains) by neutron diffraction techniques has been performed for the fatigue test of a Ni-based superalloy compact tension specimen. These microscopic grain level measurements provided unprecedented information on the fatigue growth mechanisms. A two-scale model is developed to predict the lattice strain evolution near fatigue crack tips in polycrystalline materials. An irreversible, hysteretic cohesive interface model is adopted to simulate a steady fatigue crack, which allows us to generate the stress/strain distribution and history near the fatigue crack tip. The continuum deformation history is used as inputs for the micromechanical analysis of lattice strain evolution using the slip-based crystal plasticity model, thus making a mechanistic connection between macro- and micro-strains. Predictions from perfect grain-boundary simulations exhibit the same lattice strain distributions as in neutron diffraction measurements, except for discrepancies near the crack tip within about one-tenth of the plastic zone size. By considering the intergranular damage, which leads to vanishing intergranular strains as damage proceeds, we find a significantly improved agreement between predicted and measured lattice strains inside the fatigue process zone. Consequently, the intergranular damage near fatigue crack tip is concluded to be responsible for fatigue crack growth.     

The role of heterogeneous deformation on damage nucleation at grain boundaries in single phase metals

The mechanical response of engineering materials evaluated through continuum fracture mechanics typically assumes that a crack or void initially exists, but it does not provide information about the nucleation of such flaws in an otherwise flawless microstructure. How such flaws originate, particularly at grain (or phase) boundaries is less clear. Experimentally, “good” vs. “bad” grain boundaries are often invoked as the reasons for critical damage nucleation, but without any quantification. The state of knowledge about deformation at or near grain boundaries, including slip transfer and heterogeneous deformation, is reviewed to show that little work has been done to examine how slip interactions can lead to damage nucleation. A fracture initiation parameter developed recently for a low ductility model material with limited slip systems provides a new definition of grain boundary character based upon operating slip and twin systems (rather than an interfacial energy based definition). This provides a way to predict damage nucleation density on a physical and local (rather than a statistical) basis. The parameter assesses the way that highly activated twin systems are aligned with principal stresses and slip system Burgers vectors. A crystal plasticity-finite element method (CP-FEM) based model of an extensively characterized microstructural region has been used to determine if the stress–strain history provides any additional insights about the relationship between shear and damage nucleation. This analysis shows that a combination of a CP-FEM model augmented with the fracture initiation parameter shows promise for becoming a predictive tool for identifying damage-prone boundaries.     

AN ANALYSIS OF THE EFFECTS OF SYMMETRICAL TILT GRAIN BOUNDARIES ON THE PLASTIC DEFORMATION

A numerical investigation on the simple polycrystals containing threesymmetrical tilt grain boundaries(GBs)is carried out within the framework of crystalplasticity which precisely considers the finite deformation and finite lattice rotation aswell as elastic anisotropy.The calculated results show that the slip geometry and theredistribution of stresses arising from the anisotropy and boundary constraint play animportant role in the plastic deformation in the simple polycrystals.The stress levelalong GB is sensitive to the load level and misorientation,and the stresses along GB aredistributed nonuniformly.The GB may exhibit a softening or strengthening feature,which depends on the misorientation angle.The localized deformation bands usuallydevelop accompanying the GB plastic deformation,the impingement of the localizedband on the GB may result in another localized deformation band.The yield stresseswith different misorientation angles are favorably compared with the experimentalresults.     

Micro-experimental study of large plastic deformation for high-purity polycrystalline aluminum

This paper aims at revealing various micro- deformation characteristics, such as crystalline slip and grain boundary slide, which are recorded under scanning electronic microscope for high-purity aluminum tensile specimen at room temperature. These experimental data provide us direct evidence for shear localization near the grain boundary network via multi- directional grain boundary slide. The nonuniform deformation induced in the grain interiors would have decisive effect on the plastic flow and failure of polycrystalline materials. Sponsored by the National Natural Science Foundation of China and the Fok Ying- Tung Education Foundation.     

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.     

Geometrically necessary dislocations in viscoplastic single crystals and bicrystals undergoing small deformations

In this study we develop a gradient theory of small-deformation single-crystal plasticity that accounts for geometrically necessary dislocations (GNDs). The resulting framework is used to discuss grain boundaries. The grains are allowed to slip along the interface, but growth phenomenona and phase transitions are neglected. The bulk theory is based on the introduction of a microforce balance for each slip system and includes a defect energy depending on a suitable measure of GNDs. The microforce balances are shown to be equivalent to nonlocal yield conditions for the individual slip systems, yield conditions that feature backstresses resulting from energy stored in dislocations. When applied to a grain boundary the theory leads to concomitant yield conditions: relative slip of the grains is activated when the shear stress reaches a suitable threshold; plastic slip in bulk at the grain boundary is activated only when the local density of GNDs reaches an assigned threshold. Consequently, in the initial stages of plastic deformation the grain boundary acts as a barrier to plastic slip, while in later stages the interface acts as a source or sink for dislocations. We obtain an exact solution for a simple problem in plane strain involving a semi-infinite compressed specimen that abuts a rigid material. We view this problem as an approximation to a situation involving a grain boundary between a grain with slip systems aligned for easy flow and a grain whose slip system alignment severely inhibits flow. The solution exhibits large slip gradients within a thin layer at the grain boundary.     

Assessment of plastic heterogeneity in grain interaction models using crystal plasticity finite element method

Micromechanical models aimed at simulating deformation textures and resulting plastic anisotropy need to incorporate local plastic strain heterogeneities arising from grain interactions for better predictions. The ALAMEL model [Van Houtte, P., Li, S., Seefeldt, M., Delannay, L. 2005. Deformation texture prediction: from the Taylor model to the advanced Lamel model. Int. J. Plasticity 21, 589–624], is one of the models in which the heterogeneous nature of plastic deformation in metals is introduced by accounting for the influence of a grain boundary on the cooperative deformation of adjacent grains. This is achieved by assuming that neighbouring grains undergo heterogeneous shear rates parallel to the grain boundary. The present article focuses on understanding the plastic deformation fields near the grain boundaries and the influence of grain interaction on intra-grain deformations. Crystal Plasticity Finite Element Method (CPFEM) is employed on a periodic unit cell consisting of four grains discretised into a large number of elements. A refined study of the local variation of strain rates, both along and perpendicular to the grain boundaries permits an assessment of the assumptions made in the ALAMEL model. It is shown that the ALAMEL model imbibes the nature of plastic deformation at the grain boundaries very well. However, near triple junctions, the influence of a third grain induces severe oscillations of the stress tensor, reflecting a singularity. According to CPFEM, such singularity can lead to grain subdivision by the formation of new boundaries originating at the triple junction.     

An experimental study on grain deformation and interactions in an Al-0.5%Mg multicrystal

Heterogeneous plastic deformation behavior of a coarse-grained Al-0.5%Mg multicrystal was investigated experimentally at the individual grain level. A flat uniaxial tensile specimen consisting of a single layer of millimeter-sized grains was deformed quasi-statically up to an axial strain of 15% at room temperature. The initial local crystallographic orientations of the grains and their evolutions after 5, 12, and 15% plastic strains were measured by electron backscattered diffraction pattern analysis in a scanning electron microscope. The local in-plane plastic strains and rigid body rotations of the grains were measured by correlation of digital optical video images of the specimen surface acquired during the tensile test. It is found that both intergranular and intragranular plastic deformation fields in the aluminum multicrystal specimen under uniaxial tension are highly heterogeneous. Single or double sets of slip-plane traces were predominantly observed on the electro-polished surfaces of the millimeter-sized grains after deformation. The active slip systems associated with these observed slip-plane traces were identified based on the grain orientation after deformation, the Schmid factor, and grain interactions in terms of the slip-plane trace morphology at grain boundaries. It is found that the aluminum multicrystal obeys neither the Sachs nor the Taylor polycrystal deformation models but deforms heterogeneously to favor easy slip transmission and accommodation among the grains.     

Grain boundary interface mechanics in strain gradient crystal plasticity

Interactions between dislocations and grain boundaries play an important role in the plastic deformation of polycrystalline metals. Capturing accurately the behaviour of these internal interfaces is particularly important for applications where the relative grain boundary fraction is significant, such as ultra fine-grained metals, thin films and micro-devices. Incorporating these micro-scale interactions (which are sensitive to a number of dislocation, interface and crystallographic parameters) within a macro-scale crystal plasticity model poses a challenge. The innovative features in the present paper include (i) the formulation of a thermodynamically consistent grain boundary interface model within a microstructurally motivated strain gradient crystal plasticity framework, (ii) the presence of intra-grain slip system coupling through a microstructurally derived internal stress, (iii) the incorporation of inter-grain slip system coupling via an interface energy accounting for both the magnitude and direction of contributions to the residual defect from all slip systems in the two neighbouring grains, and (iv) the numerical implementation of the grain boundary model to directly investigate the influence of the interface constitutive parameters on plastic deformation. The model problem of a bicrystal deforming in plane strain is analysed. The influence of dissipative and energetic interface hardening, grain misorientation, asymmetry in the grain orientations and the grain size are systematically investigated. In each case, the crystal response is compared with reference calculations with grain boundaries that are either ‘microhard’ (impenetrable to dislocations) or ‘microfree’ (an infinite dislocation sink).     

On dislocation models of grain boundaries

Dislocation models of grain boundaries was suggested by Bragg (Proc Phys Soc 52:54–55, 1940) and Burgers (Proc Phys Soc 52:23–33, 1940). The first quantitative study of these models was given by Read and Shockley (Phys Rev 78(3):275–289, 1950). They obtained a formula for the dependence of the grain boundary energy on the misorientation of the neighboring grains, which became a cornerstone of the grain boundary theory. The Read–Shockley formula was based on a proposition that the grain boundary energy is the sum of energies of the two sets of dislocations that come from the two neighboring grains. This proposition was proved under an assumption on a quite special geometry of the slip planes. This paper aims to show that the assumption is not necessary and the proposition holds for arbitrary geometry of slip planes. Another goal of this paper is to provide all basic formulas of the theory: though the dislocation model of grain boundaries is considered in all treatises on dislocation theory, a complete analysis, including the relations for lattice rotations and displacements, has not been given. This analysis shows, in particular, that continuum theory does not yield the proper relations for the lattice misorientations, and these relations must be introduced by an independent ansatz.     

Constitutive modeling for nanocrystalline metals based on cooperative grain boundary mechanisms

In nanocrystalline metals, the plastic deformation is accommodated primarily at the grain boundaries. Yang and Wang (J. Mech. Phys. Solids, 2003) suggested a deformation model based on clusters consisting of nine grains and incorporating both the Ashby-Verrall mechanism and a 30° rotation of closely linked pairs of grains. In the present article, the insertion and rotation processes are considered together as a cooperative deformation mechanisms, and the degree to which each process contributes is determined by the application of the principle of maximum plastic work. Plane strain and three-dimensional constitutive relations based on this concept are derived for which a general stress state drives the orientation evolution of various grain clusters under the Reuss assumption. Detailed calculation shows that the strain rate depends linearly on the stress, with the values of the coefficients in this linear relationship dictated by the microscopic energy dissipation. The deformation contributed to the overall response by the grain boundary mechanism is discussed in the spirit of the Hashin-Shtrikman bounds.     

Role of discrete intra-granular slip bands on the strain-hardening of polycrystals

This work investigates a new micromechanical modeling of polycrystal plasticity, accounting slip bands for physical plastic heterogeneities considered as periodically distributed within grains. These intra-granular plastic heterogeneities are modeled by parallel flat ellipsoidal sub-domains, each of them may have a distinct uniform plastic slip. To capture the morphology of slip bands occurring in plastically deforming polycrystals, these interacting sub-domains are considered as oblate spheroids periodically distributed and constrained by spherical grain boundaries. In this paper, we focus the study on the influences of internal length scale parameters related to grain size, spatial period and thickness of slip bands on the overall material’s behavior. In a first part, the Gibbs free energy accounting for elastic interactions between plastic heterogeneities is calculated thanks to the Green function’s method in the case of an isolated spherical grain with plastic strain occurring only in slip bands embedded in an infinite elastic matrix. In a second part, the influence of discrete periodic distributions of intra-granular slip bands on the polycrystal’s behavior is investigated considering an aggregate with random crystallographic orientations. When the spatial period of slip bands is on the same order as the grain radius, the polycrystal’s mechanical behavior is found strongly dependent on the ratio between the spatial period of slip bands and the grain size, as well as the ratio between the slip band thickness and the grain size, which cannot be captured by classic length scale independent Eshelby-based micromechanics.     

A model for rolling deformation with grain subdivision. Part I: The initial stage

A model is presented for plastic deformation with grain subdivision into parallel bands. The experimental reference is the subdivision into “cell blocks” observed in rolled aluminium. The model maintains intragranular strain continuity between the bands with relaxed constraints. One version of the model maintains intergranular strain continuity by imposing identical strains in all grains. Another version does not provide formal fulfilment of intergranular strain continuity, but it tries to minimize strain discontinuity by selection of the appropriate physical solutions. Part I deals with the initial stage of grain subdivision at low strain. Part II (Leffers, T. 2001. A model for rolling deformation with grain subdivision. Part II: the subsequent stage. Int. J. Plasticity 17, 491–511.) deals with the subsequent stages at higher strains and the resulting rolling texture.     

Multiscale strain measurements of plastically deforming polycrystalline titanium: Role of deformation heterogeneities

The purpose of this work was to characterize the spatial distribution of residual deformation at the mesoscale (a few grains) and at the macroscale (hundreds of grains) in titanium subjected to cyclic tensile loading. Using ex situ digital image correlation, we compared the axial residual strain fields obtained at optical magnifications ranging from 3.2× to 50×. To compare the results obtained at different optical magnifications, numerous images at higher magnification had to be assembled to encompass the same field-of-view observed at lower magnifications. The strain fields at the highest optical magnification revealed deformation patterns that were not detectable at lower magnifications. These deformation patterns appeared as inclined slip bands near grain boundaries and grain boundary triple points, with the bands sometimes crossing into neighboring grain interiors. Measurements made at optical magnifications greater than 10× captured an underlying deformation pattern, however, considerably more detail within grains was obtained at 50× magnification. The strain fields obtained at 10× and 50× magnifications were subsequently used to estimate the length scale of a representative volume element (RVE) based on the standard deviation of the average residual strain. The estimated RVE length scale was nearly three times the average grain diameter if extracted from the 50× results. The estimate of the RVE length scale was smaller at lower magnification which was due to a homogenizing effect caused by the low measurement resolution. Thus, care must be taken when experimentally obtaining RVE length scale estimates.     

动态载荷下剪切变形局部化、微结构演化与剪切断裂研究进展

总结和评述了近年来金属与合金变形局部化的形成、微结构演化与剪切断裂方面作者和相关的研究工作成果. 材料包括低碳钢, SS304不锈钢, Fe-15%Ni-15%Cr单晶, Al-Li合金,α-Ti和Ti-6Al-4V, Al/SiCp复合材料等.综述内容主要包括:采用改进的Hopkinson扭杆装置,对剪切变形局部化形成、发展和演化过程进行了实验观察与数值模拟;采用"侧剖"与"对接"等定点方法制备电子显微镜薄膜试样,对剪切带内相变与再结晶、非晶转变、旋涡结构等动态变形现象,以及与宏观动态力学行为对应的位错胞的形成、发展和坍塌等微结构特征进行了观测;提出了应变和应变率同时作为剪切带形成的两个必要条件的直接实验证据;在剪切带内发现了α'$-马氏体相变现象,以及相变产物与母体之间的晶体学关系;通过位错单滑移或交滑移等微观剪切最后发展成为宏观剪切的机制;对剪切带内再结晶结构的观测和对再结晶动力学本构关系的定量描述;对剪切带特别是``白色'腐蚀带(或相变带)的形成机制的分析和新的解释,指出 ``白色'是带内亚结构取向趋于一致,其在光学或扫描显微镜下很难辨认这些亚结构的取向差所致,并非表明剪切带内一定发生了相变;通过截断实验和实时跟踪观测发现,剪切带内微裂纹的萌生与聚合是材料承载能力骤然下降并导致最后断裂的主控因素.此外,本文对近年来在准静态和循环加载下材料的局部化形变与剪切断裂的实验结果予以简要评述,指出其微观机制与动态载荷下的截然不同, 是由位错的平面滑移所控制的,与热效应无关的等温变形.      

Distribution based model for the grain boundaries in polycrystalline plasticity

This contribution focuses on the development of constitutive models for the grain boundary region between two crystals, relying on the dislocation based polycrystalline model documented in (Evers, L.P., Parks, D.M., Brekelmans, W.A.M., Geers, M.G.D., 2002. Crystal plasticity model with enhanced hardening by geometrically necessary dislocation accumulation. J. Mech. Phys. Solids 50, 2403–2424; Evers, L.P., Brekelmans, W.A.M., Geers, M.G.D., 2004a. Non-local crystal plasticity model with intrinsic SSD and GND effects. J. Mech. Phys. Solids 52, 2379–2401; Evers, L.P., Brekelmans, W.A.M., Geers, M.G.D., 2004b. Scale dependent crystal plasticity framework with dislocation density and grain boundary effects. Int. J. Solids Struct. 41, 5209–5230). The grain boundary is first viewed as a geometrical surface endowed with its own fields, which are treated here as distributions from a mathematical point of view. Regular and singular dislocation tensors are introduced, defining the grain equilibrium, both in the grain core and at the boundary of both grains. Balance equations for the grain core and grain boundary are derived, that involve the dislocation density distribution tensor, in both its regular and singular contributions. The driving force for the motion of the geometrically necessary dislocations is identified from the pull-back to the lattice configuration of the quasi-static balance of momentum, that reveals the duality between the stress and the curl of the elastic gradient. Criteria that govern the flow of mobile geometrically necessary dislocations (GNDs) through the grain boundary are next elaborated on these bases. Specifically, the sign of the projection of a lattice microtraction on the glide velocity defines a necessary condition for the transmission of incoming GNDs, thereby rendering the set of active slip systems for the glide of outgoing dislocations. Viewing the grain boundary as adjacent bands in each grain with a constant GND density in each, the driving force for the grain boundary slip is further expressed in terms of the GND densities and the differently oriented slip systems in each grain. A semi-analytical solution is developed in the case of symmetrical slip in a bicrystal under plane strain conditions. It is shown that the transmission of plastic slip occurs when the angle made by the slip direction relative to the grain boundary normal is less than a critical value, depending on the ratio of the GND densities and the orientation of the transmitted dislocations.