In situ neutron diffraction investigation of deformation twinning and pseudoelastic-like behaviour of extruded AZ31 magnesium alloy

In situ neutron diffraction has been used to investigate the deformation twinning and untwinning during cyclic uniaxial straining of hydrostatically extruded AZ31 magnesium alloy. The development of the internal stresses and microstructure in the polycrystalline alloy when twinning takes place is explained on the basis of the two pairs of parent {10.0}_||, {11.0}_|| and twin {00.2}_||, {10.3}_|| grain families. The experimentally observed pseudoelastic-like behaviour in stress–strain cycles is interpreted as being due to the activation of reversal twinning processes during loading–unloading cycles. It is proposed that the driving force for the observed untwinning is the existence of high tensile stresses in favourably oriented grains which result from significant twinning activity prior to unloading from the peak stress.     

On the evolution of lattice deformation in austenitic stainless steels—The role of work hardening at finite strains

In this work, a three dimensional crystal plasticity-based finite element model is presented to examine the micromechanical behaviour of austenitic stainless steels. The model accounts for realistic polycrystal micromorphology, the kinematics of crystallographic slip, lattice rotation, slip interaction (latent hardening) and geometric distortion at finite deformation. We utilise the model to predict the microscopic lattice strain evolution of austenitic stainless steels during uniaxial tension at ambient temperature with validation through in situ neutron diffraction measurements. Overall, the predicted lattice strains are in very good agreement with those measured in both longitudinal and transverse directions (parallel and perpendicular to the tensile loading axis, respectively). The information provided by the model suggests that the observed nonlinear response in the transverse {200} grain family is associated with a competitive bimodal evolution of strain during inelastic deformation. The results associated with latent hardening effects at the microscale also indicate that in situ neutron diffraction measurements in conjunction with macroscopic uniaxial tensile data may be used to calibrate crystal plasticity models for the prediction of the inelastic material deformation response.     

Incorporation of twinning into a crystal plasticity finite element model: Evolution of lattice strains and texture in Zircaloy-2

A crystal plasticity finite element code is developed to model lattice strains and texture evolution of HCP crystals. The code is implemented to model elastic and plastic deformation considering slip and twinning based plastic deformation. The model accounts for twinning reorientation and growth. Twinning, as well as slip, is considered to follow a rate dependent formulation. The results of the simulations are compared to previously published in situ neutron diffraction data. Experimental results of the evolution of the texture and lattice strains under uniaxial tension/compression loading along the rolling, transverse, and normal direction of a piece of rolled Zircaloy-2 are compared with model predictions. The rate dependent formulation introduced is capable of correctly capturing the influence of slip and twinning deformation on lattice strains as well as texture evolution.     

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.     

Microscale prediction of deformation in an austenitic stainless steel under uniaxial loading

In this study, the deformation behaviour of polycrystalline austenitic 316H stainless steel under uniaxial loading is investigated by means of in-situ neutron diffraction (ND) measurement and crystal plasticity-based finite element (FE) modelling. Data have been obtained for the macroscopic stress–strain response and the lattice strain evolution in the longitudinal and transverse direction relative to the uniaxial loading axis. Comparison between the model predictions and the ND measurements suggests that in most cases the FE model can predict the lattice strain evolution at the microscale and capture the general trends observed in the experiments. Both ND measurements and FE modelling simulations identify little effect of micromorphology effect on the longitudinal lattice strain evolution, while the transverse lattice strain response appears to be sensitive to the microstructure, in particular the initial crystallographic orientation of the material.     

A dislocation density based crystal plasticity finite element model: Application to a two-phase polycrystalline HCP/BCC composites

We present a multiscale model for anisotropic, elasto-plastic, rate- and temperature-sensitive deformation of polycrystalline aggregates to large plastic strains. The model accounts for a dislocation-based hardening law for multiple slip modes and links a single-crystal to a polycrystalline response using a crystal plasticity finite element based homogenization. It is capable of predicting local stress and strain fields based on evolving microstructure including the explicit evolution of dislocation density and crystallographic grain reorientation. We apply the model to simulate monotonic mechanical response of a hexagonal close-packed metal, zirconium (Zr), and a body-centered cubic metal, niobium (Nb), and study the texture evolution and deformation mechanisms in a two-phase Zr/Nb layered composite under severe plastic deformation. The model predicts well the texture in both co-deforming phases to very large plastic strains. In addition, it offers insights into the active slip systems underlying texture evolution, indicating that the observed textures develop by a combination of prismatic, pyramidal, and anomalous basal slip in Zr and primarily {110}〈111〉 slip and secondly {112}〈111〉 slip in Nb.     

The role of texture in tension–compression asymmetry in polycrystalline NiTi

The purpose of the present study is to thoroughly understand the stress–strain behavior of polycrystalline NiTi deformed under tension versus compression. To do this, a micro-mechanical model is used which incorporates single crystal constitutive relationships and experimentally measured polycrystalline texture into the self-consistent formulation. For the first time it is quantitatively demonstrated that texture measurements coupled with a micro-mechanical model can accurately predict tension/compression asymmetry in NiTi shape memory alloys. The predicted critical transformation stress levels and transformation stress–strain slopes under both tensile and compressive loading are consistent with experimental results. For textured polycrystalline NiTi deformed under tension it is demonstrated that the martensite evolution is very abrupt, consistent with the Luders type deformation experimentally observed. The abrupt transformation under tension is attributed to the fact that the majority of the grains are oriented along the [111] crystallographic direction, which is soft under tensile loading. Since single crystals of the [111] orientation are hard under compression it is also demonstrated that under compression the martensite in textured polycrystalline NiTi evolves relatively slower.     

A new crystal plasticity scheme for explicit time integration codes to simulate deformation in 3D microstructures: Effects of strain path,strain rate and thermal softening on localized deformation in the aluminum alloy 5754 during simple shear

The predominant deformation mode during material failure is shear. In this paper, a crystal plasticity scheme for explicit time integration codes is developed based on a forward Euler algorithm. The numerical model is incorporated in the UMAT subroutine for implementing rate-dependent crystal plasticity model in LS-DYNA/Explicit. The sheet is modeled as a face centered cubic (FCC) polycrystalline aggregate, and a finite element analysis based on rate-dependent crystal plasticity is implemented to analyze the effects of three different strain paths consisting predominantly of shear. Finite element meshes containing texture data are created with solid elements. The material model can incorporate information obtained from electron backscatter diffraction (EBSD) and apply crystal orientation to each element as well as account for texture evolution. Single elements or multiple elements are used to represent each grain within a microstructure. The three dimensional (3D) polycrystalline microstructure of the aluminum alloy AA5754 is modeled and subjected to three different strain rates for each strain path. The effects of strain paths, strain rates and thermal softening on the formation of localized deformation are investigated. Simulations show that strain path is the most dominant factor in localized deformation and texture evolution.     

A plastic constitutive equation incorporating strain,strain-rate,and temperature

An empirical plasticity constitutive form describing the flow stress as a function of strain, strain-rate, and temperature has been developed, fit to data for three dual-phase (DP) steels, and compared with independent experiments outside of the fit domain. Dubbed the “H/V model” (for “Hollomon/Voce”), the function consists of three multiplicative functions describing (a) strain hardening, (b) strain-rate sensitivity, and (c) temperature sensitivity. Neither the multiplicative structure nor the choice of functions (b) or (c) is novel. The strain hardening function, (a), has two novel features: (1) it incorporates a linear combination coefficient, α, that allows representation of Hollomon (power law) behavior (α = 1), Voce (saturation) behavior (α = 0) or any intermediate case (0 < α < 1, and (2) it allows incorporation of the temperature sensitivity of strain hardening rate in a natural way by allowing α to vary with temperature (in the simplest case, linearly). This form therefore allows a natural transition from unbounded strain hardening at low temperatures toward saturation behavior at higher temperatures, consistent with many observations. Hollomon, Voce, H/V models and others selected as representative from the literature were fit for DP590, DP780, and DP980 steels by least-squares using a series of tensile tests up to the uniform strain conducted over a range of temperatures. Jump-rate tests were used to probe strain rate sensitivity. The selected laws were then used with coupled thermo-mechanical finite element (FE) modeling to predict behavior for tests outside the fit range: non-isothermal tensile tests beyond the uniform strain at room temperatures, isothermal tensile tests beyond the uniform strain at several temperatures and hydraulic bulge tests at room temperature. The agreement was best for the H/V model, which captured strain hardening at high strain accurately as well as the variation of strain hardening with temperature. The agreement of FE predictions up to the tensile failure strain illustrates the critical role of deformation-induced heating in high-strength/high ductility alloys, the importance of having a constitutive model that is accurate at large strains, and the implication that damage and void growth are unlikely to be determinant factors in the tensile failure of these alloys. The new constitutive model may have application for a wide range of alloys beyond DP steels, and it may be extended to larger strain rate and temperature ranges using alternate forms of strain rate sensitivity and thermal softening appearing in the literature.     

Transmission electron microscopy investigation of dislocation slip during superelastic cycling of Ni-Ti wires

Superelastic deformation of thin Ni-Ti wires containing various nanograined microstructures was investigated by tensile cyclic loading with in situ evaluation of electric resistivity. Defects created by the superelastic cycling in these wires were analyzed by transmission electron microscopy. The role of dislocation slip in superelastic deformation is discussed. Ni-Ti wires having finest microstructures (grain diameter <100 nm) are highly resistant against dislocation slip, while those with fully recrystallized microstructure and grain size exceeding 200 nm are prone to dislocation slip. The density of the observed dislocation defects increases significantly with increasing grain size. The upper plateau stress of the superelastic stress-strain curves is largely grain size independent from 10 up to 1000 nm. It is hence claimed that the Hall-Petch relationship fails for the stress-induced martensitic transformation in this grain size range. It is proposed that dislocation slip taking place during superelastic cycling is responsible for the accumulated irreversible strains, cyclic instability and degradation of functional properties. No residual martensite phase was found in the microstructures of superelastically cycled wires by TEM and results of the in situ electric resistance measurements during straining also indirectly suggest that none or very little martensite phase remains in the studied cycled superelastic wires after unloading. The accumulation of dislocation defects, however, does not prevent the superelasticity. It only affects the shape of the stress-strain response, makes it unstable upon cycling and changes the deformation mode from localized to homogeneous. The activity of dislocation slip during superelastic deformation of Ni-Ti increases with increasing test temperature and ultimately destroys the superelasticity as the plateau stress approaches the yield stress for slip. Deformation twins in the austenite phase ({1 1 4} compound twins) were frequently found in cycled wires having largest grain size. It is proposed that they formed in the highly deformed B19′ martensite phase during forward loading and are retained in austenite after unloading. Such twinning would represent an additional deformation mechanism of Ni-Ti yielding residual irrecoverable strains.     

Fatigue of polycrystalline copper with different grain sizes and texture

Fatigue experiments of polycrystalline copper with different grain sizes and texture were conducted under tension–compression, torsion, and non-proportional loading. The grain sizes ranged from 10 μm to 2 mm. The stress–strain response was found to be a strong function of the grain size and texture. A plasticity-based critical plane multiaxial fatigue criterion was used to predict the fatigue lives of the polycrystalline copper. It was found that the criterion was able to correlate all the experimental results with one single set of material constants. This indicates that the fatigue failure of the material under consideration is dominated by the fatigue resistance of the grains with an insignificant influence of the grain boundaries on the fatigue of the polycrystalline material. It was found that the fatigue model with the material constants obtained from fatigue experiments can be applied to predict failure under monotonic torsion.     

Micromechanical quantification of elastic,twinning, and slip strain partitioning exhibited by polycrystalline,monoclinic nickel–titanium during large uniaxial deformations measured via in-situ neutron diffraction

We draw upon existing knowledge of twinning and slip mechanics to develop a diffraction analysis model that allows for empirical quantification of individual deformation mechanisms to the macroscopic behaviors of low symmetry and phase transforming crystalline solids. These methods are applied in studying elasticity, accommodation twinning, deformation twinning, and slip through neutron diffraction data of tensile and compressive deformations of monoclinic NiTi to ~18% true strain. A deeper understanding of tension–compression asymmetry in NiTi is gained by connecting crystallographic calculations of polycrystalline twinning strains with in situ diffraction measurements. Our analyses culminate in empirical, micromechanical quantification of individual elastic, accommodation twinning, deformation twinning, and slip contributions to the total macroscopic stress–strain response of a monoclinic material subjected to large deformations. From these results, we find that 20–40% of the total plastic response at high strains is due to deformation twinning and 60–80% due to slip.     

多晶石墨烯拉伸力学性能及其影响因素的灵敏度分析

晶粒尺寸、温度和应变率等对纳米材料的力学性能有重要影响。本文通过分子动力学（MD）数值模拟,分析了不同晶粒尺寸多晶石墨烯在不同温度、拉伸应变率下的杨氏弹性模量、极限应力、极限应变等拉伸力学性能。结果表明,晶粒尺寸、温度和拉伸应变率对拉伸力学性能有较大影响。利用正交实验法,分别分析了杨氏弹性模量、极限应力和极限应变对晶粒尺寸、温度和拉伸应变率的敏感程度。结果表明,杨氏弹性模量和极限应力对影响因素的敏感程度由大到小依次为晶粒尺寸、温度和拉伸应变率;极限应变对影响因素的敏感程度由大到小依次为晶粒尺寸、拉伸应变率和温度。研究结果可为多晶石墨烯的理论研究和工程应用提供参考。     

Characterization of macroscopic tensile strength of polycrystalline metals with two-scale finite element analysis

The objective of this contribution is to develop an elastic-plastic-damage constitutive model for crystal grain and to incorporate it with two-scale finite element analyses based on mathematical homogenization method, in order to characterize the macroscopic tensile strength of polycrystalline metals. More specifically, the constitutive model for single crystal is obtained by combining hyperelasticity, a rate-independent single crystal plasticity and a continuum damage model. The evolution equations, stress update algorithm and consistent tangent are derived within the framework of standard elastoplasticity at finite strain. By employing two-scale finite element analysis, the ductile behaviour of polycrystalline metals and corresponding tensile strength are evaluated. The importance of finite element formulation is examined by comparing performance of several finite elements and their convergence behaviour is assessed with mesh refinement. Finally, the grain size effect on yield and tensile strength is analysed in order to illustrate the versatility of the proposed two-scale model.     

Higher-order stress and grain size effects due to self-energy of geometrically necessary dislocations

The higher-order stress work-conjugate to slip gradient in single crystals at small strains is derived based on the self-energy of geometrically necessary dislocations (GNDs). It is shown that this higher-order stress changes stepwise as a function of in-plane slip gradient and therefore significantly influences the onset of initial yielding in polycrystals. The higher-order stress based on the self-energy of GNDs is then incorporated into the strain gradient plasticity theory of Gurtin [2002. A gradient theory of single-crystal viscoplasticity that accounts for geometrically necessary dislocations. J. Mech. Phys. Solids 50, 5-32] and applied to single-slip-oriented 2D and 3D model crystal grains of size D. It is thus found that the self-energy of GNDs gives a D^-1-dependent term for the averaged resolved shear stress in such a model grain under yielding. Using published experimental data for several polycrystalline metals, it is demonstrated that the D^-1-dependent term successfully explains the grain size dependence of initial yield stress and the dislocation cell size dependence of flow stress in the submicron to several-micron range of grain and cell sizes.     

Simulation of polycrystal deformation with grain and grain boundary effects

Modeling the strengthening effect of grain boundaries (Hall-Petch effect) in metallic polycrystals in a physically consistent way, and without invoking arbitrary length scales, is a long-standing, unsolved problem. A two-scale method to treat predictively the interactions of large numbers of dislocations with grain boundaries has been developed, implemented, and tested. At the first scale, a standard grain-scale simulation (GSS) based on a finite element (FE) formulation makes use of recently proposed dislocation-density-based single-crystal constitutive equations (“SCCE-D”) to determine local stresses, strains, and slip magnitudes. At the second scale, a novel meso-scale simulation (MSS) redistributes the mobile part of the dislocation density within grains consistent with the plastic strain, computes the associated inter-dislocation back stress, and enforces local slip transmission criteria at grain boundaries.Compared with a standard crystal plasticity finite element (FE) model (CP-FEM), the two-scale model required only 5% more CPU time, making it suitable for practical material design. The model confers new capabilities as follows:

(1)

The two-scale method reproduced the dislocation densities predicted by analytical solutions of single pile-ups.

(2)

Two-scale simulations of 2D and 3D arrays of regular grains predicted Hall-Petch slopes for iron of 1.2 ± 0.3 MN/m^3/2 and 1.5 ± 0.3 MN/m^3/2, in agreement with a measured slope of 0.9 ± 0.1 MN/m^3/2.

(3)

The tensile stress-strain response of coarse-grained Fe multi-crystals (9-39 grains) was predicted 2-4 times more accurately by the two-scale model as compared with CP-FEM or Taylor-type texture models.

(4)

The lattice curvature of a deformed Fe-3% Si columnar multi-crystal was predicted and measured. The measured maximum lattice curvature near grain boundaries agreed with model predictions within the experimental scatter.

     

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.     

Thermomechanics of shape memory polymers: Uniaxial experiments and constitutive modeling

Shape memory polymers (SMPs) can retain a temporary shape after pre-deformation at an elevated temperature and subsequent cooling to a lower temperature. When reheated, the original shape can be recovered. Relatively little work in the literature has addressed the constitutive modeling of the unique thermomechanical coupling in SMPs. Constitutive models are critical for predicting the deformation and recovery of SMPs under a range of different constraints. In this study, the thermomechanics of shape storage and recovery of an epoxy resin is systematically investigated for small strains (within ±10%) in uniaxial tension and uniaxial compression. After initial pre-deformation at a high temperature, the strain is held constant for shape storage while the stress evolution is monitored. Three cases of heated recovery are selected: unconstrained free strain recovery, stress recovery under full constraint at the pre-deformation strain level (no low temperature unloading), and stress recovery under full constraint at a strain level fixed at a low temperature (low temperature unloading). The free strain recovery results indicate that the polymer can fully recover the original shape when reheated above its glass transition temperature (T_g). Due to the high stiffness in the glassy state (T < T_g), the evolution of the stress under strain constraint is strongly influenced by thermal expansion of the polymer. The relationship between the final recoverable stress and strain is governed by the stress–strain response of the polymer above T_g. Based on the experimental results and the molecular mechanism of shape memory, a three-dimensional small-strain internal state variable constitutive model is developed. The model quantifies the storage and release of the entropic deformation during thermomechanical processes. The fraction of the material freezing a temporary entropy state is a function of temperature, which can be determined by fitting the free strain recovery response. A free energy function for the model is formulated and thermodynamic consistency is ensured. The model can predict the stress evolution of the uniaxial experimental results. The model captures differences in the tensile and compressive recovery responses caused by thermal expansion. The model is used to explore strain and stress recovery responses under various flexible external constraints that would be encountered in applications of SMPs.     

Deformation behavior and microstructure/texture evolution of an annealed 304 AISI stainless steel sheet. Experimental and micromechanical modeling

Different tensile tests are performed at −60 °C, on a 304 AISI stainless steel, to produce strain induced α′ martensite. Using EBSD analysis and X-ray diffraction methods, the corresponding texture and microstructure evolutions is studied, as well as the γ → α′ transformation mechanism. It is shown that α′ martensite is associated with {1 1 1}_γ faulted bands, partially ε bands, as often reported in the literature for low SFE stainless steels. As a consequence, these deformation bands play a key role in the nucleation and growth of α′ martensite. A micromechanical model is applied to simulate the deformation behavior of the stainless steel as well as the corresponding transformation kinetic and γ texture evolution. Different simulations are proposed, using various assumptions for the γ → α′ transformation mechanism. The simulation data are in better agreement with the experimental ones, when the γ → α′ transformation strain is derived from the Bowles–MacKenzie theory using the (1 1 1)_γ[−1 2 −1]_γ stacking fault shear system as lattice invariant shear.