Cylindrical void in a rigid-ideally plastic single crystal. Part I: Anisotropic slip line theory solution for face-centered cubic crystals

The fracture toughness of ductile materials depends upon the ability of the material to resist the growth of microscale voids near a crack tip. Mechanics analyses of the elastic–plastic deformation state around such voids typically assume the surrounding material to be isotropic. However, the voids exist predominantly within a single grain of a polycrystalline material, so it is necessary to account for the anisotropic nature of the surrounding material. In the present work, anisotropic slip line theory is employed to derive the stress and deformation state around a cylindrical void in a single crystal oriented so that plane strain conditions are admitted from three effective in-plane slip systems. The deformation state takes the form of angular sectors around the circumference of the void. Only one of the three effective slip systems is active within each sector. Each slip sector is further subdivided into smaller sectors inside of which it is possible to derive the stress state. Thus the theory predicts a highly heterogeneous stress and deformation state. In addition, it is shown that the in-plane pressure necessary to activate plastic deformation around a cylindrical void in an anisotropic material is significantly higher than that necessary for an isotropic material. Experiments and single crystal plasticity finite element simulations of cylindrical voids in single crystals, both of which exhibit a close correspondence to the analytical theory, are discussed in a companion paper.     

Wedge indentation into elastic-plastic single crystals, 1: Asymptotic fields for nearly-flat wedge

Asymptotic stress and deformation fields under the contact point singularities of a nearly-flat wedge indenter and of a flat punch are derived for elastic ideally-plastic single crystals with three effective in-plane slip systems that admit a plane strain deformation state. Face-centered cubic (FCC), body-centered cubic (BCC), and hexagonal-close packed (HCP) crystals are considered. The asymptotic fields for the flat punch are analogous to those at the tip of a stationary crack, so a potential solution is that the deformation field consists entirely of angular constant stress plastic sectors separated by rays of plastic deformation across which stresses change discontinuously. The asymptotic fields for a nearly-flat wedge indenter are analogous to those of a quasistatically growing crack tip fields in that stress discontinuities can not exist across sector boundaries. Hence, the asymptotic fields under the contact point singularities of a nearly-flat wedge indenter are significantly different than those under a flat punch. A family of solutions is derived that consists entirely of elastically deforming angular sectors separated by rays of plastic deformation across which the stress state is continuous. Such a solution can be found for FCC and BCC crystals, but it is shown that the asymptotic fields for HCP crystals must include at least one angular constant stress plastic sector. The structure of such fields is important because they play a significant role in the establishment of the overall fields under a wedge indenter in a single crystal. Numerical simulations—discussed in detail in a companion paper—of the stress and deformation fields under the contact point singularity of a wedge indenter for a FCC crystal possess the salient features of the analytical solution.     

Strain gradient crystal plasticity analysis of a single crystal containing a cylindrical void

The effects of void size and hardening in a hexagonal close-packed single crystal containing a cylindrical void loaded by a far-field equibiaxial tensile stress under plane strain conditions are studied. The crystal has three in-plane slip systems oriented at the angle 60° with respect to one another. Finite element simulations are performed using a strain gradient crystal plasticity formulation with an intrinsic length scale parameter in a non-local strain gradient constitutive framework. For a vanishing length scale parameter the non-local formulation reduces to a local crystal plasticity formulation. The stress and deformation fields obtained with a local non-hardening constitutive formulation are compared to those obtained from a local hardening formulation and to those from a non-local formulation. Compared to the case of the non-hardening local constitutive formulation, it is shown that a local theory with hardening has only minor effects on the deformation field around the void, whereas a significant difference is obtained with the non-local constitutive relation. Finally, it is shown that the applied stress state required to activate plastic deformation at the void is up to three times higher for smaller void sizes than for larger void sizes in the non-local material.     

Cylindrical void in a rigid-ideally plastic single crystal II: Experiments and simulations

Experimental results and finite element simulations of plastic deformation around a cylindrical void in single crystals are presented to compare with the analytical solutions in a companion paper: Cylindrical void in a rigid-ideally plastic single crystal I: Anisotropic slip line theory solution for face-centered cubic crystals [Kysar, J.W., Gan, Y.X., Mendez-Arzuza, G., 2005. Cylindrical void in a rigid-ideally plastic single crystal I: Anisotropic slip line theory solution for face-centered cubic crystals, International Journal of Plasticity, 21, 1481–1520]. In the first part of the present paper, the theoretical predictions of the stress and deformation field around a cylindrical void in face-centered cubic (FCC) single crystals are briefly reviewed. Secondly, electron backscatter diffraction results are presented to show the lattice rotation discontinuities at boundaries between regions of single slip around the void as predicted in the companion paper. In the third part of the paper, the finite element method has been employed to simulate the anisotropic plastic deformation behavior of FCC single crystals which contain cylindrical voids under plane strain condition. The results of the simulation are in good agreement with the prediction by the anisotropic slip line theory.     

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).     

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.     

Dislocation-based micropolar single crystal plasticity: Comparison of multi- and single criterion theories

Two new formulations of micropolar single crystal plasticity are presented within a geometrically linear setting. The construction of yield criteria and flow rules for generalized continuum theories with higher-order stresses can be done in one of two ways: (i) a single criterion can be introduced in terms of a combined equivalent stress and inelastic rate or (ii) or individual criteria can be specified for each conjugate stress/inelastic kinematic rate pair, a so-called multi-criterion theory. Both single and multi-criterion theories are developed and discussed within the context of dislocation-based constitutive models. Parallels and distinctions are made between the proposed theories and some of the alternative generalized crystal plasticity models that can be found in the literature. Parametric numerical simulations of a constrained thin film subjected to simple shear are conducted via finite element analysis using a simplified 2-D version of the fully 3-D theory to highlight the influence of specific model components on the resulting deformation under both loading and unloading conditions. The deformation behavior is quantified in terms of the average stress-strain response and the local shear strain and geometrically necessary dislocation density distributions. It is demonstrated that micropolar single crystal plasticity can qualitatively capture the same range of behaviors as slip gradient-based models, while offering a simpler numerical implementation and without introducing plastic slip rates as generalized traction-conjugate velocities subject to an additional microforce balance.     

Finite element analysis of grain-by-grain deformation by crystal plasticity with couple stress

Rigid–plastic crystal plasticity with the rate-sensitive constitutive behavior of a slip system has been formulated within the framework of a two-dimensional finite element method to predict the grain-by-grain deformation of single- and polycrystalline FCC metals. For that purpose, individual grains are represented by several numbers of finite elements to describe the sub-grain deformation behavior, and couple stress has been introduced into the equilibrium equation to be able to describe the size effect as well as to prevent mesh-dependent predictions. A modified virtual work-rate principle with an approximate interface constraint has been suggested to use a C ⁰-continuous element in the finite element implementation, and the couple stress work-rate has been formulated on the basis of an assumed constitutive behavior. Simulated plane-strain compressions of a single crystal cube show that the shearing and the deformation load are closely related to the imbedded lattice orientation of the crystal grain, and that the sub-grain deformation and the load magnitude can be controlled by the couple stress hardening. It is also confirmed that almost the same predictions are obtained for different mesh systems by considering the couple stress hardening. Simulated plane-strain compressions of a bi-crystal show considerably curved grain-by-grain surface profiles after large reduction for several combinations of the imbedded lattice orientation. The high couple stress hardening predicted around grain boundaries is supposed to be related to the grain size effect. It is also supposed that consideration of couple stress is necessary to predict the sub-grain or the grain-by-grain deformation, and the couple stress hardening may be used to describe the state of microstructures in grain.     

Size effects on void growth in single crystals with distributed voids

The effect of void size on void growth in single crystals with uniformly distributed cylindrical voids is studied numerically using a finite deformation strain gradient crystal plasticity theory with an intrinsic length parameter. A plane strain cell model is analyzed for a single crystal with three in-plane slip systems. It is observed that small voids allow much larger overall stress levels than larger voids for all the stress triaxialities considered. The amount of void growth is found to be suppressed for smaller voids at low stress triaxialities. Significant differences are observed in the distribution of slips and on the shape of the deformed voids for different void sizes. Furthermore, the orientation of the crystalline lattice is found to have a pronounced effect on the results, especially for the smaller void sizes.     

A finite deformation theory of higher-order gradient crystal plasticity

For higher-order gradient crystal plasticity, a finite deformation formulation is presented. The theory does not deviate much from the conventional crystal plasticity theory. Only a back stress effect and additional differential equations for evolution of the geometrically necessary dislocation (GND) densities supplement the conventional theory within a non-work-conjugate framework in which there is no need to introduce higher-order microscopic stresses that would be work-conjugate to slip rate gradients. We discuss its connection to a work-conjugate type of finite deformation gradient crystal plasticity that is based on an assumption of the existence of higher-order stresses. Furthermore, a boundary-value problem for simple shear of a constrained thin strip is studied numerically, and some characteristic features of finite deformation are demonstrated through a comparison to a solution for the small deformation theory. As in a previous formulation for small deformation, the present formulation applies to the context of multiple and three-dimensional slip deformations.     

分子动力学模拟含不同初始缺陷单晶镍的断裂行为与应力演化

断裂是一个跨尺度复杂的物理过程,对宏观尺度的断裂行为已有深入的研究和发展,然而对微观尺度的断裂行为及断裂过程中应力场的变化缺乏深入的理解。本文通过分子动力学模拟,研究了具有不同初始缺陷(尖锐裂纹、钝裂纹和孔洞)的单晶镍的断裂行为和应力分布特征。结果表明,不同的初始缺陷导致了不同的断裂机制、断裂强度和抗断裂性能。含初始孔洞的单晶镍样品有最高的断裂强度和最强的抗断裂性能,这与孔洞扩展过程中堆积层错的形成密切相关。其次是含初始钝裂纹的样品,在裂纹扩展过程中出现由[100]超位错发射引起的裂尖钝化;含尖锐裂纹的样品表现为脆性断裂,裂尖原子没有出现微结构的变化,其强度和抗断裂性能最低。此外,不同的初始缺陷也会导致断裂过程中应力分布的变化,对含有尖锐裂纹的脆性断裂试样,高应力(拉伸应力、平均应力和米塞斯应力)总是出现在扩展裂纹的裂尖。而对于含有钝裂纹或孔洞的韧性断裂试样,高应力不仅分布在裂尖,也分布在位错发射和堆积层错形成的区域,在裂纹/孔洞扩展之前,应力随着加载时间的增加而迅速增加,而一旦裂纹或孔洞开始扩展,应力增加非常缓慢或几乎不增加,但拉伸应力值始终大于平均应力和米塞斯应力值。这表明,在I型...     

Dislocation pile-ups in bicrystals within continuum dislocation theory

Within continuum dislocation theory the plastic deformation of bicrystals under a mixed deformation of plane constrained uniaxial extension and shear is investigated with regard to the nucleation of dislocations and the dislocation pile-up near the phase boundaries of a model bicrystal with one active slip system within each single crystal. For plane uniaxial extension, we present a closed-form analytical solution for the evolution of the plastic distortion and of the dislocation network in the case of symmetric slip planes (i.e. for twins), which exhibits an energetic as well as a dissipative threshold for the dislocation nucleation. The general solution for non-symmetric slip systems is obtained numerically. For a combined deformation of extension and shear, we analyze the possibility of linearly superposing results obtained for both loading cases independently. All solutions presented in this paper also display the Bauschinger effect of translational work hardening and a size effect typical to problems of crystal plasticity.     

Analysis of dynamic shear bands in an FCC single crystal

We study plane strain dynamic thermomechanical deformations of an fcc single crystal compressed along the crystallographic direction [010] at an average strain rate of 1000 sec⁻¹. Two cases are studied; one in which the plane of deformation is parallel tothe plane (001) of the single crystal, and another one with deformation occuring in the plane (101̄) of the single crystal. In each case, the 12 slip systems are aligned symmetrically about the two centroidal axes. We assume that the elastic and plastic deformations of the crystal are symmetrical about these two axes. The crystal material is presumed to exhibit strain hardening, strain-rate hardening, and thermal softening. A simple combined isotropic-kinematic hardening expression for the critical resolved shear stress, proposed by Weng, is modified to account for the affine thermal softening of the material. When the deformation is in the plane (001) of the single crystal, four slip systems (111)[11̄0], (111̄)[11̄0], (11̄;1̄;)[110], and (11̄1)[110] are active in the sense that significant plastic deformations occur along these slip systems. However, when the plane of deformation is parallel to the plane (101̄;) of the single crystal, slip systems (11̄;1)[110], (11̄1)[011], (111)[11̄0], and (111)[01̄1] are more active than the other eight slip systems. At an average strain of 0.0108, the maximum angle of rotation of a slip system within a shear band, about an axis perpendicular to the plane of deformation, is found to be 20.3° in the former case, and 22.9° in the latter.     

Effect of phase interactions on crystal stress evolution over crystal orientation space under elastoplastic deformation of two-phase polycrystalline solids

It has been known for decades that crystal stress directions move toward the vertices of the single crystal yield surface (SCYS) during plastic flow of polycrystalline solids to satisfy the deformation compatibility among crystals. The alignment of crystal stress with a SCYS vertex is affected not only by plastic anisotropy, but also by other factors such as elastic anisotropy, loading direction, and grain interactions. Among the factors contributing to the degree of alignment, the effect of phase interactions on the crystal stress evolution during plastic flow has not been extensively investigated. In this research, the effect of phase interactions on the crystal stress direction evolution is investigated using simulations of an elastoplastically deforming two-phase (Cu/Fe) polycrystalline solid calibrated to a neutron diffraction experiment. By mapping the simulated crystal stresses over the crystal orientation space, crystal-orientation-dependent nonuniform partitioning of the crystal stress between phases can be observed. An analysis of the distribution of angles between the SCYS vertex and the crystal stress based on the simulation of the two-phase material shows that the crystal stress evolution pattern during plastic flow is strongly affected by phase interactions. These interactions result in low alignment and greater dispersion angles between the crystal stresses and SCYS vertices, particularly in the strong phase.     

Anti-plane shear cracks in ideally plastic crystals

Cracks in ductile single crystals are analyzed here for geometries and orientations such that two-dimensional states of anti-plane shear constitute possible deformation fields. The crystals are modelled as ideally plastic and yield according to critical resolved shear stresses on their slip systems. Restrictions on the asymptotic forms of stress and deformation fields at crack tips are established for anti-plane loading of stationary and quasistatically growing cracks, and solutions are presented for several specific orientations in f.c.c. and b.c.c. crystals. The asymptotic solutions are complemented by complete elastic-plastic solutions for stationary and growing cracks under small scale yielding, based on previous work by Rice (1967, 1984) and Freund (1979). Remarkably, the plastic zone at a stationary crack tip collapses into discrete planes of displacement and stress discontinuity emanating from the tip; plastic flow consists of concentrated shear on the displacement discontinuities. For the growing crack these same planes, if not coincident with the crack plane, constitute collapsed plastic zones in which velocity and plastic strain discontinuities occur, but across which the stresses and anti-plane displacement are fully continuous. The planes of discontinuity are in several cases coincident with crystal slip planes but it is shown that this need not be the case, e.g., for orientations in which anti-plane yielding occurs by multi-slip, or for special orientations in which the crack tip and the discontinuity planes are perpendicular to the activated slip plane.     

A new yield function and a hydrostatic stress-controlled void nucleation model for porous solids with pressure-sensitive matrices

A macroscopic yield function for porous solids with pressure-sensitive matrices modeled by Coulomb's yield function was obtained by generalizing Gurson's yield function with consideration of the hydrostatic yield stress of a spherical thick-walled shell and by fitting the finite element results of the yield stresses of a voided cube. The macroscopic yield function is valid for the negative hydrostatic stress as well as for the positive hydrostatic stress. From the yield function, a plastic potential function for the porous solids was derived either for plastic normality flow or for plastic non-normality flow of the pressure-sensitive matrices. In addition, void nucleation was modeled by a normal distribution function with the macroscopic hydrostatic stress regarded as a controlling stress. This set of constitutive relations was implemented into a finite element code abaqus as a user material subroutine to analyze the cavitation and the deformation behavior of a rubber-modified epoxy around a crack tip under the Mode I plane strain conditions. By comparing the cavitation zone and the plastic zone obtained in the analysis with those observed in an experiment, the mean stress and the standard deviation for the void nucleation model could be determined. The cavitation and the deformation behavior of the rubber-modified epoxy were also analyzed around notches under four-point bending. The size and shape of the cavitation zone and the plastic zone were shown to be in good agreement with those observed in an experiment.     

晶体塑性变形离散滑移模型及有限元分析

基于韧性单晶体实验现象，建立了描述晶体塑性变形的离散滑移模型．该模型的主要特点是：晶体滑移变形在宏观上是不均匀的，滑移带的分布是离散的．利用晶体塑性理论对模型进行了有限变形有限元分析，计算结果揭示了晶体滑移的离散行为，模拟的应力 应变曲线与实验曲线相吻合     

An efficient constitutive model for room-temperature,low-rate plasticity of annealed Mg AZ31B sheet

Metals and alloys with hexagonal close packed (HCP) crystal structures can undergo twinning in addition to dislocation slip when loaded mechanically. The complexity of the plastic response and the limited extent of twinning are impediments to their room-temperature formability and thus their widespread adoption. In order to exploit the unusual deformation characteristics of twinning sheet materials in designing novel forming operations, a practical plane stress material model for finite element implementation was sought. Such a model, TWINLAW, has been constructed based on three phenomenological deformation modes for Mg AZ31B: S (slip), T (twinning), and U (untwinning). The modes correspond to three testing regimes: initial in-plane tension (from the annealed state), initial in-plane compression, and in-plane tension following compression, respectively. A von Mises yield surface with initial non-zero back stress was employed to account for plastic yielding asymmetry, with evolution according to a novel isotropic and nonlinear kinematic hardening model. Texture and its evolution were represented throughout deformation using a weighted discrete probability density function of c-axis orientations. The orientation of c-axes evolves with twinning or untwinning using explicit rules incorporated in the model.     

A nanoscale model of crystal plasticity

In this paper a nanoscale model of crystal plasticity is introduced. The model is characterized by distinct, separate slip surfaces on which discontinuity for the deformation function takes place. Slip displacements considered on the slip surfaces are a measure of plastic deformation. In the case when the slip surface does not intersect the whole body, evolution of boundary of this surface is also considered. Criteria for initiation and stopping of slips are discussed. Evolution equations for slip displacements and for the boundary of the slip surface displacements are introduced. Nanoscale modelling is expressed in the model by distinguishing slip surfaces as well as by the form of the free energy which takes into account details appropriate for this scale. In particular, criteria for initiation of slip are expressed by means of the form of the free energy. As a result the slip systems are also defined by means of this function. More fine effects such as inhomogeneities in crystal structure, induced by defects and dislocations, are represented within the model by internal state variables. The possibility of creep modelling within the concepts presented is discussed.