High resolution transmission electron microscope observation of zero-strain deformation twinning mechanisms in Ag

We have observed a new deformation-twinning mechanism using the high resolution transmission electron microscope in polycrystalline Ag films, zero-strain twinning via nucleation, and the migration of a Σ3{112} incoherent twin boundary (ITB). This twinning mechanism produces a near zero macroscopic strain because the net Burgers vectors either equal zero or are equivalent to a Shockley partial dislocation. This observation provides new insight into the understanding of deformation twinning and confirms a previous hypothesis: detwinning could be accomplished via the nucleation and migration of Σ3{112} ITBs. The zero-strain twinning mechanism may be unique to low staking fault energy metals with implications for their deformation behavior.     

Statistical analyses of deformation twinning in magnesium

To extract quantitative and meaningful relationships between material microstructure and deformation twinning in magnesium, we conduct a statistical analysis on large data sets generated by electron backscattering diffraction (EBSD). The analyses show that not all grains of similar orientation and grain size form twins, and twinning does not occur exclusively in grains with high twin Schmid factors or in the relatively large grains of the sample. The number of twins per twinned grain increases with grain area, but twin thickness and the fraction of grains with at least one visible twin are independent of grain area. On the other hand, an analysis of twin pairs joined at a boundary indicates that grain boundary misorientation angle strongly influences twin nucleation and growth. These results question the use of deterministic rules for twin nucleation and Hall–Petch laws for size effects on twinning. Instead, they encourage an examination of the defect structures of grain boundaries and their role in twin nucleation and growth.     

A phase field model of deformation twinning: Nonlinear theory and numerical simulations

A continuum phase field theory and corresponding numerical solution methods are developed to describe deformation twinning in crystalline solids. An order parameter is associated with the magnitude of twinning shear, i.e., the lattice transformation associated with twinning. The general theory addresses the following physics: large deformations, nonlinear anisotropic elastic behavior, and anisotropic phase boundary energy. The theory is applied towards prediction of equilibrium phenomena in the athermal and non-dissipative limit, whereby equilibrium configurations of an externally stressed crystal are obtained via incremental minimization of a free energy functional. Outcomes of such calculations are elastic fields (e.g., displacement, strain, stress, and strain energy density) and the order parameter field that describes the size and shape of energetically stable twin(s). Numerical simulations of homogeneous twin nucleation in magnesium single crystals demonstrate fair agreement between phase field solutions and available analytical elasticity solutions. Results suggest that critical far-field displacement gradients associated with nucleation of a twin embryo of minimum realistic size are 4.5%–5.0%, with particular values of applied shear strain and equilibrium shapes of the twin somewhat sensitive to far-field boundary conditions and anisotropy of twin boundary surface energy.     

Nonlinear phase field theory for fracture and twinning with analysis of simple shear

A phase field theory for coupled twinning and fracture in single crystal domains is developed. Distinct order parameters denote twinned and fractured domains, finite strains are addressed and elastic nonlinearity is included via a neo-Hookean strain energy potential. The governing equations and boundary conditions are derived; an incremental energy minimization approach is advocated for prediction of equilibrium microstructural morphologies under quasi-static loading protocols. Aspects of the theory are analysed in detail for a material element undergoing simple shear deformation. Exact analytical and/or one-dimensional numerical solutions are obtained in dimensionless form for stress states, stability criteria and order parameter profiles at localized fractures or twinning zones. For sufficient applied strain, the relative likelihood of localized twinning vs. localized fracture is found to depend only on the ratio of twin boundary surface energy to fracture surface energy. Predicted criteria for shear stress-driven fracture or twinning are often found to be in closer agreement with test data for several types of real crystals than those based on the concept of theoretical strength.     

Effect of initial orientation on twinning in commercially pure titanium

Abstract

The effect of initial orientation on twinning micro-mechanisms during tensile deformation of commercially pure titanium has been studied using micro focus X-ray diffraction and electron back scatter diffraction (EBSD) in a scanning electron microscope. Three orientations A, B and C obtained from a rolled and annealed block of commercially pure titanium were deformed in uniaxial tension till failure and the tested specimens were characterised with regard to bulk texture, microstructure and crystal orientation mapping using EBSD. Orientation B along the transverse direction in ND-TD plane exhibits higher strength and lower strain hardening compared to orientations A and C along the rolling direction in TD-RD and ND-RD plane, respectively. This is attributed to different texture of sample B compared to samples A and C leading to dissimilar twinning micro-mechanisms and characteristic variation in nature of twinning. It is observed that limited twin nucleation and prominent lateral growth plays a dominant role in orientation B while multiple twin nucleation with significant non-Schmid behaviour is dominant for the other two orientations. It is proposed from this study that conventional factors associated with twin formation like Schmid factor play a main role in twin nucleation and propagation, however, growth or lateral thickening of the twins is explained by elastic stiffness variation across twins and their parent grains.     

Diffuse-interface approach to predicting morphologies of critical nucleus and equilibrium structure for cubic to tetragonal transformations

A cubic to tetragonal transformation leads to simultaneous nucleation and growth of several orientation variants. The size and morphology of a critical nucleus, comprising of one or more variants, are determined by the competition among bulk thermodynamic driving force, elastic strain energy, and interfacial energy. In this work, a diffuse-interface model is developed to predict both the critical nucleus morphology of a single variant tetragonal precipitate described by a conserved field and the critical morphology of a two-variant nucleus and equilibrium multivariant twinning microstructure resulted from a structural transformation described by non-conserved fields. A constrained string method was employed to compute the probable minimum energy paths and the microstructures along each path. Numerical experiments indicate that our approach works effectively for predicting the critical nucleus morphology both the precipitation processes and structural transformations.     

A composite model of the plastic flow of amorphous covalent materials

A model based on the data available in the literature on the computer simulation of amorphous silicon has been proposed for describing the specific features of the plastic flow of amorphous covalent materials. The mechanism of plastic deformation involves homogeneous nucleation and growth of inclusions of a liquidlike phase under external shear stress. Such inclusions experience plastic shear, which is modeled by glide dislocation loops. The energy changes associated with the nucleation of these inclusions at room and increased temperatures have been calculated. The critical stress has been found, at which the barrierless nucleation of inclusions becomes possible. It has been shown that this stress decreases with an increase in temperature. According to the calculations, the heterogeneous (homogeneous) plastic flow of an amorphous material should be expected at relatively low (high) temperatures. Above the critical stress, the homogeneous flow is gradually replaced by the heterogeneous flow.     

Nucleation in a metallic glass under shear deformations

Nonequilibrium atomic dynamics is simulated in single-component metallic glass under the influence of shear strains with different shear rates and temperatures. Based on the simulation data and cluster analysis, such parameters of nucleation processes as the nucleation rate, the size of a critical cluster, and the Zeldovich factor are found. The dependence of these quantities on the shear rate is discussed.     

A disclination model for twinning and de-twinning of nanotwinned copper

The twinning and de-twinning processes within grains of nanotwinned copper (nt-Cu) are schematically demonstrated using the concept of wedge disclination quadrupoles. The stable twin nucleus size and the equilibrium equation of the applied shear stress and twin width during twin growth are obtained. The dependence of the critical resolved shear stress for twinning on the grain size, which conforms to the classic Hall–Petch relationship, is theoretically modelled. Additionally, the disclination quadrupole model for de-twinning is used to interpret the strength softening in nt-Cu. Relative to the classic kinetic and energetic models, this novel approach is more compatible with the experiments.     

Effect of Hydrogen Charging on Mechanical Twinning,Strain Hardening,and Fracture of ‹111› and ‹144› Hadfield Steel Single Crystals

This paper studies the effect of electrolytic hydrogen charging on the plastic deformation and fracture of Hadfield steel single crystals oriented for tension along the ?111? and ?144? directions, which the major deformation mechanism is mechanical twinning. Electrolytic hydrogen charging for five hours at a current density of 100 A/m² slightly affects the stages of plastic flow, deformation mechanism, and the value of uniform elongation of ?111? and ?144? single clreystals. Hydrogen saturation causes shear microlocalization and a decrease of the strain hardening coefficient in twinning in one system, but slightly affects the strain hardening characteristics in multiple twinning. Hydrogen charging increases the fraction of the brittle component on fracture surfaces and leads to microand macrocracking near the fracture zone on the lateral surface of deformed specimens. It has been found experimentally that the stress relaxation rate in loaded ?111? single clreystals after hydrogen saturation decreases. Mechanisms of describing this phenomenon have been proposed.     

Homogeneous nucleation of dislocations

The mechanism and stochastic properties of the homogeneous nucleation of dislocations have been studied. An approach has been proposed for determining the nucleation rate based on consideration of the lifetimes of a metastable state. Primary data have been obtained using the molecular dynamics method. The dependences of the nucleation rate on the shear stresses have been determined for several temperatures. An approximation of the obtained results in terms of the Arrhenius equation has been proposed. The regions of shear stresses and temperatures in which the mechanism of homogeneous dislocation nucleation can be realized have been estimated.     

In-plane structural order of domain engineered La0.7Sr0.3MnO3 thin films

We present a detailed structural study of tensile-strained La_0.7Sr_0.3MnO₃ thin films. We use the substrate miscut to control the number of rhombohedral variants in the films and study the in-plane order and structural distortions. Using high-resolution X-ray diffraction, we demonstrate that step-edge induced lattice modulations occur in 4-variant films, whereas periodic twinning is the dominant in-plane order for 2-variant films. We show that the in-plane twinning angle is almost completely relaxed. However, the relaxation of shear strain by the out-of-plane twinning angle and the monoclinic distortion is only partial. Furthermore, the film thickness dependence of the domain width reveals that domain formation is a universal mechanism for shear strain relaxation. Finally, we show that the structural response to the transition from the paramagnetic to the ferromagnetic phase of La_0.7Sr_0.3MnO₃ at 345?K is smaller in 4-variant films compared to 2-variant films.     

A Combined optical and X-ray diffraction study of polytypism in cleaved CdI2 crystals

A comprehensive observation on the growth processes in polytypic crystals of CdI₂ grown from solution has been made in situ and correlated with the internal structures of the crystals, determined by X-ray diffraction after repeated cleavages.

Theoretical estimates of the growth parameters α and β indicate that the crystals should grow through a combined operation of two-dimensional nucleation and spiral growth, which has been confirmed experimentally. It is concluded that the growth mechanism has no direct bearing on the formation of polytypes, which really seems to be governed by thermodynamic factors.     

Nucleation in a catalytic nanodroplet and growth of nanowires

The kinetics of basic physical processes governing the growth of nanowires by the vapor-liquid-solid mechanism is considered. The role of geometrical, thermodynamic, and kinetic factors early in the growth of the nanowire is studied. Approximate expressions for the nucleation rate and nanowire growth rate are derived, and the influence of transfer processes in the vapor phase is estimated. In terms of the Stefan problem, the effect the release of the latent heat of phase transition has on the nanowire growth is calculated. Numerical estimates are made for carbon nanowires.     

Direct Observation of Crystallization of Polybutene-1 Under Low Shear Rate Flow

The isothermal crystallization process of polybutene-1 melt under shear flow was investigated with an optical microscope and a device (shear flow direct observation system, SF-DOS) newly developed by our group. The nucleation rate and growth rate of polybutene-1 were studied under slow shear rates (0–0.1 s^?1) at high crystallization temperature (102–108°C) with the SF-DOS. The nucleation remains heterogeneous. The number of nuclei after long times increased and induction time decreased by increasing the shear rate. Anisotropic and distorted spherulites were observed under shear flow, while the spherulites in the static condition were isotropic. It was clearly observed that the spherulites were rotating under shear. The average growth rates were enhanced by increasing shear rates, which acts as the main factor affecting the overall crystallization kinetics. Finally, the crystallization kinetics were analyzed on the basis of the secondary nucleation theory of Hoffman and Lauritzen. Even under very low shear rates, the product of lateral‐surface free energy σ _s and fold-surface free energy σ _e was found to be reduced as shear rate increased.     

A structure created by intersecting ϵ martensite variant plates in a high-manganese steel

Microstructural evidence for a new intersection structure, which has been observed in grains oriented to near ?101? in a polycrystalline Fe–30Mn–4Si–2Al TRIP/TWIP steel, was obtained by combined use of electron backscatter diffraction and transmission electron microscopy, and the responsible intersection mechanisms are discussed from crystallographic and thermodynamic viewpoints. A γ phase with the orientation 90° rotated from the matrix with respect to the intersection axis is produced at the intersection of two dense ? plates, whereas the twinning of the obstacle ? plate occurs when the incident plate is a fine γ/? lamella or a stacking fault bundle. The results are compared with various structures reported previously, and the wide variation of the intersection reactions is interpreted by their dependence on thermodynamic stability of the phases, grain orientation and shear amount.     

Shape recovery mechanism observed in single crystals of Cu–Al–Ni shape memory alloy

Micromechanism of the shape recovery process is optically observed in single crystals of the Cu–Al–Ni shape memory alloy. Formation of X and λ-interfaces (interfacial microstructures with two intersecting habit planes) is documented, both in a thermal gradient and during a homogeneous heating. The observed growth mechanisms (i.e. mechanisms of nucleation and growth of the twinned structures) are described and analysed. Weakly non-classical boundaries between austenite and two crossing twinning systems are also documented.     

孪晶对Be材料冲击加-卸载动力学影响的数值模拟研究

在高压、高应变率加载条件下,孪晶变形对材料的塑性变形具有重要的贡献,而目前孪晶对金属材料的动态屈服强度、冲击响应等的影响还没有被充分揭示.为此,本文考虑孪晶变形和晶粒碎化,针对铍(Be)材料在高应变率加载下的动态力学响应发展了含孪晶的热弹-黏塑性晶体塑性模型.经过和实验结果的对比,发现该模型可以更准确地预测Be材料在动态加载下,尤其是高压动态加载下的屈服强度.进一步,基于该塑性模型研究了Be材料在冲击加载下的准弹性卸载行为,结果表明剪切波速随着压力和剪应变的变化而发生变化是材料产生准弹性卸载现象的主要原因.此外,研究了冲击波卸载过程中Be材料孪晶的演化过程,发现Be材料卸载过程中也伴随着孪晶的产生.     

层厚度和应变率对铜-金复合纳米线力学性能影响的模拟研究

采用分子动力学模拟方法, 研究了层厚度和应变率对铜-金多层复合纳米线在均匀拉伸载荷下力学性能的影响, 并分析了铜-金位错成核机理. 研究结果表明, 随着铜-金层厚度的增加, 复合材料的屈服强度也随之增大; 高应变率时复合材料的力学性能比低应变率时要强, 低应变率的塑性形变主要是位错运动和孪晶形变, 而高应变率主要以单原子运动为主, 表现出了非晶化. 该研究对制备高性能的多层复合材料提供了一定的理论依据.