Dwell fatigue in two Ti alloys: An integrated crystal plasticity and discrete dislocation study

It is a well known and important problem in the aircraft engine industry that alloy Ti-6242 shows a significant reduction in fatigue life, termed dwell debit, if a stress dwell is included in the fatigue cycle, whereas Ti-6246 does not; the mechanistic explanation for the differing dwell debit of these alloys has remained elusive for decades. In this work, crystal plasticity modelling has been utilised to extract the thermal activation energies for pinned dislocation escape for both Ti alloys based on independent experimental data. This then allows the markedly different cold creep responses of the two alloys to be captured accurately and demonstrates why the observed near-identical rate sensitivity under non-dwell loading is entirely consistent with the dwell behaviour. The activation energies determined are then utilised within a recently developed thermally-activated discrete dislocation plasticity model to predict the strain rate sensitivities of the two alloys associated with nano-indentation into basal and prism planes. It is shown that Ti-6242 experiences a strong crystallographic orientation-dependent rate sensitivity while Ti-6246 does not which is shown to agree with recently published independent measurements; the dependence of rate sensitivity on indentation slip plane is also well captured. The thermally-activated discrete dislocation plasticity model shows that the incorporation of a stress dwell in fatigue loading leads to remarkable stress redistribution from soft to hard grains in the classical cold dwell fatigue rogue grain combination in alloy Ti-6242, but that no such load shedding occurs in alloy Ti-6246. The key property controlling the behaviour is the time constant of the thermal activation process relative to that of the loading. This work provides the first mechanistic basis to explain why alloy Ti-6242 shows a dwell debit but Ti-6246 does not.     

Crystal plasticity modeling of slip activity in Ti–6Al–4V under high cycle fatigue loading

Deformation micromechanisms of a Ti–6Al–4V alloy under fatigue loading at room temperature are studied using a three-dimensional crystal plasticity constitutive model. The model employs a minimum set of fitting parameters based on experimental data for Ti–6Al–4V. Single slip is strongly favored through a softening law that affects mainly the driving force for slip on the first activated slip system. Cyclic deformation behavior at the macroscopic scale and at the local scale of grains is analyzed through the simulation of 20 cycles of fatigue on a polycrystalline structure of 900 randomly oriented grains. The progressive activation of slip (basal, prismatic, and pyramidal) is analyzed and compared to experimental observations.     

镁合金晶体塑性本构模型与非均匀孪生变形分析

微结构演化对镁合金材料力学性能有着显著的影响,为了揭示镁合金宏观塑性各向异性特性与非均匀孪生变形的关系,开展了不同路径下的单轴加载试验以及采用含滑移、孪生机制的晶体塑性本构模型对试验条件下的镁合金变形行为进行数值模拟研究。文中本构模型描述了滑移与孪生变形机制以及晶格转动的机制,同时研究采用三维微结构代表性有限元模型,其包含晶粒尺寸、晶向和晶界倾角等微结构参数。研究结果表明,轧制镁合金具有强烈的宏观塑性各向异性行为,并对这种镁合金塑性各向异性行为的模拟结果以及多晶织构的模拟演化结果与试验测量进行对比,结果都基本吻合。对孪生非均匀变形模拟分析表明,镁合金宏观塑性各向异性行为与滑移、孪生变形机制的不同启动组合紧密相关,同时多晶体内应力的非均匀分布受到孪生变形的严重影响。而不同晶粒尺寸的晶粒所发生的孪生变形有比较大的差异,造成孪晶变体在晶粒内的分布极不均匀。本研究可为通过微结构的合理配置来设计和控制材料的力学性能提供理论依据.     

双相钛合金Ti‑6Al‑4V微观缺陷疲劳演化的片层结构分布效应

本文研究疲劳载荷作用下双相钛合金Ti-6Al-4V中片层结构对微观几何缺陷区域演化的影响．基于晶体塑 性有限元(Crystal Plasticity Finite Element, CPFE)理论,建立含微观椭圆缺陷的双相片层代表性体积单元 (Representative Volume Element, RVE)模型,通过调控缺陷附近的微观组织形貌,使缺陷两端分别出现单相结构和 片层结构,以突出双态合金中片层结构分布对微观缺陷演化的影响．模拟结果表明,位于微观缺陷两侧的晶粒, 片层结构的应变敏感性更大,应变沿缺口环向和沿晶内均呈不连贯波动．片层结构通过调节晶内应变,扩大承载 范围,可提高双相钛合金的抗疲劳特性．这一研究结果可为双相钛合金的疲劳裂纹萌生提供一个新的解释途径     

Simulated microstructure-sensitive extreme value probabilities for high cycle fatigue of duplex Ti-6Al-4V

A newly developed microstructure-sensitive extreme value probabilistic framework to characterize the performance/variability for damage evolution processes is exercised to compare the driving forces for fatigue crack formation (nucleation and early growth) at room temperature for four different microstructure variants of a duplex Ti-6Al-4V alloy. The aforementioned probabilistic framework links certain extreme value fatigue response parameters with microstructure attributes at fatigue critical sites through the use of marked correlation functions. By applying this framework to study the driving forces for fatigue crack formation in these microstructure variants of Ti-6Al-4V, these microstructures can be ranked in terms of relative high cycle fatigue (HCF) performance and the correlated microstructure attributes that have the most influence on the predicted fatigue response can be identified. Nonlocal fatigue indicator parameters (FIPs) based on the cyclic plastic strain averaged over domains on the length scale of the microstructure attributes (e.g., grains, phases) are used to estimate the driving force(s) for fatigue crack formation at the grain scale. By simulating multiple statistical volume elements (SVEs) using crystal plasticity constitutive relations, extreme value distributions of the predicted driving forces for fatigue crack formation are estimated using these FIPs. This strategy of using multiple SVEs contrasts with simulation based on a single representative volume element (RVE), which is often untenably large when considering extreme value responses. The simulations demonstrate that microstructures with smaller relative primary α grain sizes and lower volume fractions of the primary α grains tend to exhibit less variability and smaller magnitudes of the driving forces for fatigue crack formation. The extreme value FIPs are predicted to most likely occur at clusters of primary α grains oriented for easy basal slip. Additionally, surrounding grains/phases with soft orientation shed load to less favorably oriented primary α grains, producing extreme value FIPs.     

An anisotropic elastic-plastic constitutive model for single and polycrystalline metals. I-theoretical developments

An anisotropic elastic-plastic constitutive model for single and polycrystalline metals is proposed. The anisotropic hardening of single crystals, at first, is discussed with the viewpoint of yield surface and a new formulation of it is proposed. Then, a model for the anisotropic hardening of polycrystals is suggested by increasing the number of slip systems and incorporating the interaction of all slip systems. The interaction of grains through grain boundaries is shown to be similar to, and incorporated into, the interaction of slip systems in grains. The numerical predictions and their comparisons with experiments will follow in Part II of this paper.     

A peridynamic implementation of crystal plasticity

This paper presents the first application of peridynamics theory for crystal plasticity simulations. A state-based theory of peridynamics is used (Silling et al., 2007) where the forces in the bonds between particles are computed from stress tensors obtained from crystal plasticity. The stress tensor at a particle, in turn, is computed from strains calculated by tracking the motion of surrounding particles. We have developed a quasi-static implementation of the peridynamics theory. The code employs an implicit iterative solution procedure similar to a non-linear finite element implementation. Peridynamics results are compared with crystal plasticity finite element (CPFE) analysis for the problem of plane strain compression of a planar polycrystal. The stress, strain field distribution and the texture formation predicted by CPFE and peridynamics were found to compare well. One particular feature of peridynamics is its ability to model fine shear bands that occur naturally in deforming polycrystalline aggregates. Peridynamics simulations are used to study the origin and evolution of these shear bands as a function of strain and slip geometry.     

A crystallographic model for the study of local deformation processes in polycrystals

Most engineering materials possess a polycrystalline structure. Under load the anisotropy of the constituent grains leads to strong inhomogeneities of stresses and strains on the grain level. In order to investigate the local deformation processes, a new crystallographic model for pure fcc metals in the low temperature range has been developed. It is based on the framework of crystal plasticity and uses the finite element method (FEM). The rate dependent constitutive equations consider isotropic as well as kinematic hardening, whereby the mutual interactions of dislocation processes on the different slip systems are taken into account. Comprehensive calculations show that the essential features of both single crystals—which serve as a test object for the constitutive equations—and polycrystals are reproduced correctly. Moreover the simulations allow a deeper understanding of the mechanisms that control the local deformation behaviour of metals, especially of the mutual interactions of slip system activity, local hardening and resulting local strain. Furthermore, the model may serve as a physically motivated base for a later inclusion of damage terms which allow investigations of damage and fatigue on the local scale.     

Finite element simulation of PSB macroband nucleation and propagation in single crystal nickel cycled at low plastic strain amplitudes

Substructure models for vein matrix and persistent slip band (PSB) structures are extracted from a uniaxial mixtures model that was developed to simulate cyclic loading experiments on nickel single crystals oriented for single slip. Reverse magnetostriction is included as well. These substructure models are implanted in a single crystal plasticity framework with fully anisotropic elasticity. The resulting constitutive models are incorporated in finite element models to simulate the process of PSB macroband formation and propagation. Perturbation elements (PEs), elements assigned with PSB properties, are used as the loci for PSB macroband nucleation. Transition of elements with vein matrix properties to elements with PSB properties is triggered at integration points by a shear stress criterion applied on slip systems. The resulting finite element models successfully demonstrate the process of PSB formation and propagation, and plastic strain amplitude partitioning between vein matrix and PSB macrobands. The effect of model boundary constraints, strain increment dependence, mesh sensitivity, PE distribution, specimen axis misorientation, and PSB volume fraction generated is examined.     

Thermomechanical behavior of shape memory alloy under complex loading conditions

The thermo-mechanical behavior of polycrystalline shape memory alloy (SMA) under multi-axial loading with varying temperature conditions has been studied by experiments. Recently the research has been extended theoretically and a mechanical model of polycrystalline SMA and the corresponding mesoscopic constitutive equations have been developed. The model presented in this paper is constructed on the basis of the crystal plasticity and the deformation mechanism of SMA. The variants in the crystal grains and the orientations of crystal grains in the polycrystal are considered in the proposed model; the constitutive equations are derived on the basis of the proposed model. The volume fraction of the martensite variants in the transformation process and the influence of the stress state on the transformation process are also considered. Some calculated results obtained by the constitutive equations are presented and compared with the experimental results. It is found that the deformation behavior of SMA under complex loading conditions can be well reproduced by the calculation of the constitutive equations.     

Multiscale modeling of irradiated polycrystalline FCC metals

We propose a set of models for the post-irradiation deformation response of polycrystalline FCC metals. First, a defect- and dislocation-density based evolution model is developed to capture the features of irradiation-induced hardening as well as intra-granular softening. The proposed hardening model is incorporated within a rate-independent single crystal plasticity model. The result is a non-homogeneous deformation model that accounts for defect absorption on the active slip planes during plastic loading. The macroscopic non-linear constitutive response of the polycrystalline aggregate of the single crystal grains is then obtained using a micro–macro transition scheme, which is realized within a Jacobian-free multiscale method (JFMM). The Jacobian-free approach circumvents explicit computation of the tangent matrix at the macroscale by using a Newton–Krylov process. This has a major advantage in terms of storage requirements and computational cost over existing approaches based on homogenized material coefficients in which explicit Jacobian computation is required at every Newton step. The mechanical response of neutron-irradiated single and polycrystalline OFHC copper is studied and it is shown to capture experimentally observed grain-level phenomena.     

Fatigue damage in polycrystals – Part 1: The numbers two and three

The fundamental difference between the cyclic yield stress and the fatigue limit is scale. The basic rate of slip mismatch towards a saturated condition, representing polycrystalline behaviour, is a material property embedded into the grain size distribution. Deviations from its basic rate will depend on the shape of the crack and the selected crack path. This work concludes that during the first loading cycle, and for stresses equal and above the fatigue limit, the surface will always been deformed plastically.     

A multivariant micromechanical model for SMAs Part 2. Polycrystal model

An averaging scheme is developed to simulate the behavior of a polycrystalline shape memory alloy (SMA) specimen using the Multivariant Micromechanics approach. An untextured polycrystalline specimen is assumed to be formed by a number of randomly oriented single crystal grains. The previously developed Multivariant technique is used to model the response of each single crystal grain subjected to its stress field seen in the polycrystalline sample. Using spherical grains, the Eshelby–Kröner approach is used to formulate the interaction between grains and to determine the stress state in each individual grain. This model successfully captures the basic features of SMA polycrystalline response to loading and temperature. In addition, comparison is made to recent experimental data with fully triaxial load states. Reasonable qualitative agreement is obtained and some issues related to crystallography of the material model are addressed.     

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).     

考虑尺寸效应的多晶金属循环塑性分析

本文采用多晶塑性分析方法,设材料点包含一定数量的各向异性单晶晶粒并考虑晶粒尺寸的影响,计算材料点的应力和应变时利用了Taylor假设。模型引入考虑尺寸效应的晶体滑移硬化函数,同时针对晶体滑移引入背应力及其方向性硬化的描述,以反映不同晶粒尺寸材料在循环加载条件下的力学行为。利用该模型,本文第一作者采用显式格式编制了与ABAQUS商用有限元软件接口的用户材料子程序（VUMAT）,实例计算证实该模型可以反映和描述多晶金属材料在材料反复加载条件下的循环塑性行为与尺寸效应。     

Investigation of three-dimensional aspects of grain-scale plastic surface deformation of an aluminum oligocrystal

This is a study of plastic strain localization, surface roughening and of the origin of these phenomena in polycrystals. An oligocrystal aluminum sample with a single quasi-2D layer of coarse grains is plastically deformed under uniaxial tensile loading. During deformation, the history of strain localization, surface roughening, microstructure and in-grain fragmentation is carefully recorded. Using a crystal plasticity finite element model, corresponding high-resolution simulations are conducted. A series of comparisons identifying aspects of good and of less good match between model predictions and experiments is presented. The study suggests that the grain topology and microtexture have a significant influence on the origin of strain heterogeneity. Moreover, it suggests that the final surface roughening profiles are related both to the macro strain localization and to the intra-grain interaction. Finally slip lines observed on the surface of the samples are used to probe the activation of slip systems in detail. The study concludes with an assessment of the limitations of the crystal plasticity model.     

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.     

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.     

增材制造316钢高周疲劳性能的微观力学研究

由于增材制造逐层累积的工艺特点, 其成形材料力学性能往往不同于传统减材制造材料. 在航空航天、核工业以及医疗领域中, 对增材制造材料疲劳性能的研究不足导致其很难作为主承力件使用, 这制约着增材制造技术的进一步推广使用. 本文以增材制造316钢为对象, 通过仿真手段研究其高周疲劳性能, 研究表明循环载荷下滑移带与晶界处的裂纹萌生是增材制造316钢材料发生高周疲劳的主要原因. 根据提出的微观力学模型研究了增材制造316钢的高周疲劳性能, 其中分别使用唯象学晶体塑性理论和弹塑性内聚力模型模拟晶粒和晶界的力学行为. 为了准确评估增材制造316钢的高周疲劳性能, 本文针对于晶粒和晶界分别采用Papadopoulos疲劳准则和一种基于安定性理论的介观疲劳准则同时考虑位错滑移和晶界对疲劳性能的影响. 最后, 为了验证所提微观力学模型的有效性, 本文对比了增材制造316钢和轧制316钢高周疲劳性能的仿真结果. 与实验结果相同, 仿真结果显示增材制造316钢相较于轧制316钢具有更好的高周疲劳性能.      

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.