Features of evolution of wedge-shaped twins in bismuth single crystals subjected to polysynthetic twinning

Features of evolution of wedge-shaped twins in bismuth single crystals with polysynthetic twins are examined. Polysynthetic twins are found to promote an increase in number, and a decrease in length, of indentation-induced wedge-shaped twins. The latter quantities depend on the density of twins in a polysynthetic twin. Based on the dislocation model, stress fields in the vicinity of wedge-shaped and polysynthetic twins are calculated at a mesoscopic level. __________ Translated from Prikladnaya Mekhanika i Tekhnicheskaya Fizika, Vol. 49, No. 3, pp. 208–216, May–June, 2008.     

On the strain hardening and texture evolution in high manganese steels: Experiments and numerical investigation

We present a systematic investigation on the strain hardening and texture evolution in high manganese steels where twinning induced plasticity (TWIP) plays a significant role for the materials' plastic deformation. Motivated by the stress–strain behavior of typical TWIP steels with compositions of Fe, Mn, and C, we develop a mechanistic model to explain the strain-hardening in crystals where deformation twinning dominates the plastic deformation. The classical single crystal plasticity model accounting for both dislocation slip and deformation twinning are then employed to simulate the plastic deformation in polycrystalline TWIP steels. While only deformation twinning is activated for plasticity, the simulations with samples composed of voronoi grains cannot fully capture the texture evolution of the TWIP steel. By including both twinning deformation and dislocation slip, the model is able to capture both the stress–strain behaviors and the texture evolution in Fe–Mn–C TWIP steel in different boundary-value problems. Further analysis on the strain contributions by both mechanisms suggests that deformation twinning plays the dominant role at the initial stage of plasticity in TWIP steels, and dislocation slip becomes increasingly important at large strains.     

Quantifying dislocation microstructure evolution and cyclic hardening in fatigued face-centered cubic single crystals

Discrete dislocation dynamics simulations were performed to investigate the dislocation microstructure evolution and cyclic hardening during the early stages of fatigue loading in nickel single crystals. The effects of the crystal size and initial dislocation densities on both the mechanical response and the evolution of dislocation microstructure were quantified. Crystals having an initial dislocation density of 10¹²  m⁻² and diameter less than $2.0\mathrm{\mu }\mathrm{m}$ do not show any dislocation density multiplication or cyclic hardening. In contrast, crystals having the same initial dislocation density and diameters larger than $2.0\mathrm{\mu }\mathrm{m}$ show a significant dislocation density accumulation in the form of dislocation cell-like structures, even after only a few number of loading cycles. This dislocation density accumulation was also accompanied by considerable cyclic hardening. The dislocation cell size and its wall thickness increase with increasing crystal size. With increasing dislocation density the critical crystal size, at which dislocation cell-structures form, decreases. The information theoretic entropy is utilized as a metric to quantify the extent of dislocation patterning and the formation and evolution of dislocation cell structures over time. Cross-slip was found to play a dominant role in the dislocation cell-structure formation. Further insights on the mechanisms contributing to the observed behavior are presented and discussed.     

Strain-rate history effects and microstructural aspects in lithium fluoride and aluminium single crystals after dynamic loading

Single crystals of LiF and Al are deformed in shear at a number of constant strain-rates in the range 10^–4 to 1600 s^–1. These constant rate tests are supplemented by a series of jump tests in which a sharp increment in strain rate is imposed during the quasi-static straining. Dislocation arrangements are observed by etch-pits technique for LiF crystals and by TEM for Al crystals. It is shown that cell sizes vary inversely with flow stress and strain-rate sensitivity.     

Spatio-temporal characteristics of the Portevin–Le Châtelier effect in austenitic steel with twinning induced plasticity

An experimental investigation of spatio-temporal characteristics of the Portevin–Le Châtelier (PLC) effect in austenitic steel with twinning induced plasticity (TWIP) is presented. Post-processing of high resolution digital images captured from specimens in quasi-static, room temperature tensile tests was conducted with a digital image correlation (DIC) method. This provided direct measurement of strain fields during all stages of the tests. Variable rate digital image capture, enabled with a custom image acquisition algorithm, guaranteed a suitable number of images recorded during serrations in load–time records. Nucleation, propagation, and morphology of individual PLC bands in both straight gage and tapered specimens were quantified with strain rate contours computed with a backward differentiation scheme. Time histories of strain evolution in the PLC band wakes were extracted from cumulative strain contours. Of the three types of PLC bands, only the continuously propagating Type A bands were observed. Band nucleation, which occurred at serration crests in flow curves derived from the DIC results, was not limited to regions of geometry-induced stress concentrations. Due to its importance in finite element springback predictions and to support theoretical model development of inelastic behavior in TWIP steel, we measured Young’s modulus variation with strain in periodic loading–unloading tests. Implications of the experimental results for theoretical modeling of the PLC effect in TWIP steel are discussed.     

Temperature dependent mechanical behaviour of PVDF: Experiments and numerical modelling

The mechanical behaviour of Polyvinylidene Fluoride (PVDF) is analysed. To this end, tensile tests are performed on both smooth and notched specimens, for several values of the notch radius in order to set specific values of the stress triaxiality ratio in the net section. Tests were performed at various temperatures and at various strain rates. Experimental data together with fracture surface examinations by SEM allow the dependence of deformation and void growth processes on strain rate and temperature to be investigated. This experimental work was carried out in order to test the mechanics of porous media model. For each investigated temperature, constitutive relations take both porosity and strain rate sensitivity into account. The model is proposed for deformation leading to crazing. The material coefficients are optimised by imposing a continuous dependence on temperature.     

Heat sources,energy storage and dissipation in high-strength steels: Experiments and modelling

Tensile tests on three high-strength steels exhibiting Lüders band propagation are carried out at room temperature and under quasi-static loading conditions. Displacement and temperature fields on the surface of the flat samples are measured by digital image correlation and digital infrared thermography, respectively. The true stress versus true strain curves were calculated from the displacement data, while the thermal data were used to estimate the heat sources using the local heat diffusion equation. Based on these measurements the stored and dissipated energies were estimated up to diffuse necking. A thermodynamically consistent elastic-plastic constitutive model including the von Mises yield criterion, the associated flow rule and two non-linear isotropic hardening variables is applied to describe the behaviour of the high-strength steels. It is shown that this simple model is able to reproduce both the local behaviour, such as the power associated to heat sources, and the global behaviour, such as Lüders band propagation and stored and dissipated energies. It is further shown that the ratio of dissipated power to plastic power varies during plastic straining and that this variation is captured reasonably well in the numerical simulations.     

The key role of dislocation dissociation in the plastic behaviour of single crystal nickel-based superalloy with low stacking fault energy: Three-dimensional discrete dislocation dynamics modelling

To model the deformation of single crystal nickel based superalloys (SCNBS) with low stacking fault energy (SFE), three-dimensional discrete dislocation dynamics (3D-DDD) is extended by incorporating dislocation dissociation mechanism. The present 3D-DDD simulations show that, consistent with the existing TEM observation, the leading partial can enter the matrix channel efficiently while the trailing partial can hardly glide into it when the dislocation dissociation is taken into account. To determine whether the dislocation dissociation can occur or not, a critical percolation stress (CPS) based criterion is suggested. According to this CPS criterion, for SCNBS there exists a critical matrix channel width. When the channel width is lower than this critical value, the dislocation tends to dissociate into an extended configuration and vice versa. To clarify the influence of dislocation dissociation on CPS, the classical Orowan formula is improved by incorporating the SFE. Moreover, the present 3D-DDD simulations also show that the yielding stress of SCNBSs with low SFE may be overestimated up to 30% if the dislocation dissociation is ignored. With dislocation dissociation being considered, the size effect due to the width of γ matrix channel and the length of γ′ precipitates on the stress–strain responses of SCNBS can be enhanced remarkably. In addition, due to the strong constraint effect by the two-phase microstructure in SCNBS, the configuration of formed junctions is quite different from that in single phase crystals such as Cu. The present results not only provide clear understanding of the two-phase microstructure levelled microplastic mechanisms in SCNBSs with low SFE, but also help to develop new continuum-levelled constitutive laws for SCNBSs.     

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.     

Deformation and failure in nanomaterials via a data driven modelling approach

A data driven computational model that accounts for more than two material states has been presented in this work. Presented model can account for multiple state variables, such as stresses,strains, strain rates and failure stress, as compared to previously reported models with two states.Model is used to perform deformation and failure simulations of carbon nanotubes and carbon nanotube/epoxy nanocomposites. The model capability of capturing the strain rate dependent deformation and failure has been demonstrated through predictions against uniaxial test data taken from literature. The predicted results show a good agreement between data set taken from literature and simulations.     

NiTi形状记忆合金热-力耦合循环变形行为宏微观实验和理论研究进展

论文对NiTi形状记忆合金热-力耦合循环变形行为研究的最新进展进行综述和评价.首先总结NiTi形状记忆合金在循环加载条件下的单轴、非比例多轴循环变形特性以及强烈的热-力耦合特性,阐述NiTi形状记忆合金在循环变形过程中出现功能性劣化的微观机理;然后,讨论在宏观和细观尺度上建立的三类NiTi形状记忆合金典型的循环本构模型,并评述代表性模型的预测能力;最后,总结已有研究存在的不足,对相关问题的进一步研究提出建议.在本构模型方面主要介绍了作者及其合作者在基于晶体塑性的热-力耦合循环本构模型方面的工作,突出了多种非弹性变形机制和强烈热-力耦合行为对形状记忆合金循环变形行为的影响.     

A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoretical analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kröner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.     

Interplay between polarization rotation and crack propagation in PMN-PT relaxor single crystals

Investigations on the interconnection between the polarization rotation and crack propagation are performed for [110]-oriented 74Pb(Mg_1/3Nb_2/3)O₃-26PbTiO₃ relaxor ferroelectric single crystal under electric loadings along [001] direction. The crystal is of predominantly monoclinic M_A phase with scatter distributed rhombohedral (R) phase under a moderate poling field of 900 V/mm in [001] direction. With magnitude of 800 V/mm, a through thickness crack is initiated near the electrode by electric cycling. Static electric loadings is then imposed to the single crystal. As the applied static electric field increases, domain switching in the monoclinic M_A phase and phase transition from M_A to R phase occur near the crack. The results indicate that the crack features a conducting one. Whether domain switching or phase transition occurs depends on the intensity of the electric field component that is perpendicular to the applied electric field.     

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.     

Micromechanics of plastic deformation and phase transformation in a three-phase TRIP-assisted advanced high strength steel: Experiments and modeling

The micromechanics of plastic deformation and phase transformation in a three-phase advanced high strength steel are analyzed both experimentally and by microstructure-based simulations. The steel examined is a three-phase (ferrite, martensite and retained austenite) quenched and partitioned sheet steel with a tensile strength of ~980 MPa. The macroscopic flow behavior and the volume fraction of martensite resulting from the austenite–martensite transformation during deformation were measured. In addition, micropillar compression specimens were extracted from the individual ferrite grains and the martensite particles, and using a flat-punch nanoindenter, stress–strain curves were obtained. Finite element simulations idealize the microstructure as a composite that contains ferrite, martensite and retained austenite. All three phases are discretely modeled using appropriate crystal plasticity based constitutive relations. Material parameters for ferrite and martensite are determined by fitting numerical predictions to the micropillar data. The constitutive relation for retained austenite takes into account contributions to the strain rate from the austenite–martensite transformation, as well as slip in both the untransformed austenite and product martensite. Parameters for the retained austenite are then determined by fitting the predicted flow stress and transformed austenite volume fraction in a 3D microstructure to experimental measurements. Simulations are used to probe the role of the retained austenite in controlling the strain hardening behavior as well as internal stress and strain distributions in the microstructure.     

A phase-field theory of dislocation dynamics, strain hardening and hysteresis in ductile single crystals

A phase-field theory of dislocation dynamics, strain hardening and hysteresis in ductile single crystals is developed. The theory accounts for: an arbitrary number and arrangement of dislocation lines over a slip plane; the long-range elastic interactions between dislocation lines; the core structure of the dislocations resulting from a piecewise quadratic Peierls potential; the interaction between the dislocations and an applied resolved shear stress field; and the irreversible interactions with short-range obstacles and lattice friction, resulting in hardening, path dependency and hysteresis. A chief advantage of the present theory is that it is analytically tractable, in the sense that the complexity of the calculations may be reduced, with the aid of closed form analytical solutions, to the determination of the value of the phase field at point-obstacle sites. In particular, no numerical grid is required in calculations. The phase-field representation enables complex geometrical and topological transitions in the dislocation ensemble, including dislocation loop nucleation, bow-out, pinching, and the formation of Orowan loops. The theory also permits the consideration of obstacles of varying strengths and dislocation line-energy anisotropy. The theory predicts a range of behaviors which are in qualitative agreement with observation, including: hardening and dislocation multiplication in single slip under monotonic loading; the Bauschinger effect under reverse loading; the fading memory effect, whereby reverse yielding gradually eliminates the influence of previous loading; the evolution of the dislocation density under cycling loading, leading to characteristic ‘butterfly’ curves; and others.     

A micromechanical model of hardening, rate sensitivity and thermal softening in BCC single crystals

The present paper is concerned with the development of a micromechanical model of the hardening, rate-sensitivity and thermal softening of bcc crystals. In formulating the model, we specifically consider the following unit processes: double-kink formation and thermally activated motion of kinks; the close-range interactions between primary and forest dislocations, leading to the formation of jogs; the percolation motion of dislocations through a random array of forest dislocations introducing short-range obstacles of different strengths; dislocation multiplication due to breeding by double cross-slip; and dislocation pair annihilation. The model is found to capture salient features of the behavior of Ta crystals such as: the dependence of the initial yield point on temperature and strain rate; the presence of a marked stage I of easy glide, specially at low temperatures and high strain rates; the sharp onset of stage II hardening and its tendency to shift towards lower strains, and eventually disappear, as the temperature increases or the strain rate decreases; the parabolic stage II hardening at low strain rates or high temperatures; the stage II softening at high strain rates or low temperatures; the trend towards saturation at high strains; the temperature and strain-rate dependence of the saturation stress; and the orientation dependence of the hardening rate.     

Boundary integral equations for 2D elasticity and its application in discrete dislocation simulation in finite body: 2. Numerical implementation

In the previous paper by Yu and Diab (2013), several sets of boundary integral equations are derived for general anisotropic materials and corresponding equations for materials with different classes of symmetry are deduced. The work presented herein implements two sets of boundary element schemes to numerically solve the stress field. The integration on the element that has the singular point of the kernel is bounded and can be evaluated analytically. Four benchmark elastic problems are solved numerically to show the advantage of the two schemes over the conventional boundary element formulation in eliminating the boundary layer effect. The one with the weaker singularity has better convergence and gives more accurate results. The presented formulation also provides a direct approach to solve for stress field in a finite solid body in the presence of dislocations. Combined with discrete dislocations dynamics, boundary value problems with dislocations in finite bodies can be solved. Two examples, bending of a single crystal beam and pure shearing of a polycrystalline solid, are simulated by discrete dislocation dynamics using the scheme that has the weaker singularity. The comparisons with the published results using the well-established superposition technique validate the proposed formulation and show its quick convergence.     

Boundary integral equations for 2D elasticity and its application in discrete dislocation dynamics simulation in finite body: 1. General theory

A unified approach, originating from Cauchy integral theorem, is presented to derive boundary integral equations for two dimensional elasticity problems. Several sets of boundary integral equations are derived and their relations are revealed. Explicit expressions for materials with different symmetry planes are listed. Special attention is given to the formulation that is based on the tractions and the tangential derivatives of displacements along solid boundary, since its integral kernels have the weakest singularities. The formulation is further extended to include singular points, such as dislocations and line forces, in a finite body, so that the singular stress field can be directly obtained from solving the integral equations on the external boundary, without involving the linear superposition technique that was often used in the literature. Its application in simulating discrete dislocation motion in a finite solid body is discussed.