Finite element analysis of geometrically necessary dislocations in crystal plasticity

We present a finite element method for the analysis of ductile crystals whose energy depends on the density of geometrically necessary dislocations (GNDs). We specifically focus on models in which the energy of the GNDs is assumed to be proportional to the total variation of the slip strains. In particular, the GND energy is homogeneous of degree one in the slip strains. Such models indeed arise from rigorous multiscale analysis as the macroscopic limit of discrete dislocation models or from phenomenological considerations such as a line‐tension approximation for the dislocation self‐energy. The incorporation of internal variable gradients into the free energy of the system renders the constitutive model non‐local. We show that an equivalent free‐energy functional, which does not depend on internal variable gradients, can be obtained by exploiting the variational definition of the total variation. The reformulation of the free energy comes at the expense of auxiliary variational problems, which can be efficiently solved using finite element approximations. The addition of surface terms in the formulation of the free energy results in additional boundary conditions for the internal variables. The proposed framework is verified by way of numerical convergence tests, and simulations of three‐dimensional problems are presented to showcase its applicability. A performance analysis shows that the proposed framework solves strain‐gradient plasticity problems in computing times of the order of local plasticity simulations, making it a promising tool for non‐local crystal plasticity three‐dimensional large‐scale simulations. Copyright © 2012 John Wiley & Sons, Ltd.     

A meshless grain element for micromechanical analysis with crystal plasticity

This study concerns the development of a 2‐D meshless grain element for elasto‐plastic deformation and intergranular damage initiation and propagation in polycrystalline fcc metals under static loading. The crystallographic material behaviour of the grains is represented by a rate‐independent single‐crystal plasticity model while including material orthotropy. The two slip planes are arbitrarily located with respect to the crystallographic axis of the grain. A non‐linear constitutive model known as the cohesive zone model is employed to represent the inelastic interaction between the grain boundaries, thus permitting grain boundary opening and sliding. The cohesive model describes the deformation characteristics of the grain boundaries through a non‐linear relation between the effective grain boundary tractions and displacements. Because of the presence of non‐linear material behaviour both inside the grain and along the cohesive grain boundaries, the method utilizes the principle of virtual work in conjunction with the meshless formulation in the derivation of the system of non‐linear incremental equilibrium equations. The solution is obtained via an incremental procedure based on the Taylor series expansion about the current equilibrium configuration. The fidelity of the present approach is verified by considering simple polycrystalline metals of only a few grains. Copyright © 2006 John Wiley & Sons, Ltd.     

Mixed variational principles and robust finite element implementations of gradient plasticity at small strains

This work outlines a theoretical and computational framework of gradient plasticity based on a rigorous exploitation of mixed variational principles. In contrast to classical local approaches to plasticity based on locally evolving internal variables, order parameter fields are taken into account governed by additional balance‐type PDEs including micro‐structural boundary conditions. This incorporates non‐local plastic effects based on length scales, which reflect properties of the material micro‐structure. We develop a unified variational framework based on mixed saddle point principles for the evolution problem of gradient plasticity, which is outlined for the simple model problem of von Mises plasticity with gradient‐extended hardening/softening response. The mixed variational structure includes the hardening/softening variable itself as well as its dual driving force. The numerical implementation exploits the underlying variational structure, yielding a canonical symmetric structure of the monolithic problem. It results in a novel finite element (FE) design of the coupled problem incorporating a long‐range hardening/softening parameter and its dual driving force. This allows a straightforward local definition of plastic loading‐unloading driven by the long‐range fields, providing very robust FE implementations of gradient plasticity. This includes a rational method for the definition of elastic‐plastic‐boundaries in gradient plasticity along with a post‐processor that defines the plastic variables in the elastic range. We discuss alternative mixed FE designs of the coupled problem, including a local‐global solution strategy of short‐range and long‐range fields. This includes several new aspects, such as extended Q1P0‐type and Mini‐type finite elements for gradient plasticity. All methods are derived in a rigorous format from variational principles. Numerical benchmarks address advantages and disadvantages of alternative FE designs, and provide a guide for the evaluation of simple and robust schemes for variational gradient plasticity. Copyright © 2013 John Wiley & Sons, Ltd.     

Variational projection methods for gradient crystal plasticity using Lie algebras

A computational method is developed for evaluating the plastic strain gradient hardening term within a crystal plasticity formulation. While such gradient terms reproduce the size effects exhibited in experiments, incorporating derivatives of the plastic strain yields a nonlocal constitutive model. Rather than applying mixed methods, we propose an alternative method whereby the plastic deformation gradient is variationally projected from the elemental integration points onto a smoothed nodal field. Crucially, the projection utilizes the mapping between Lie groups and algebras in order to preserve essential physical properties, such as orthogonality of the plastic rotation tensor. Following the projection, the plastic strain field is directly differentiated to yield the Nye tensor. Additionally, an augmentation scheme is introduced within the global Newton iteration loop such that the computed Nye tensor field is fed back into the stress update procedure. Effectively, this method results in a fully implicit evolution of the constitutive model within a traditional displacement‐based formulation. An elemental projection method with explicit time integration of the plastic rotation tensor is compared as a reference. A series of numerical tests are performed for several element types in order to assess the robustness of the method, with emphasis placed upon polycrystalline domains and multi‐axis loading. Copyright © 2016 John Wiley & Sons, Ltd.     

A micro‐mechanical damage model based on gradient plasticity: algorithms and applications

As soon as material failure dominates a deformation process, the material increasingly displays strain softening and the finite element computation is significantly affected by the element size. Without remedying this effect in the constitutive model one cannot hope for a reliable prediction of the ductile material failure process. In the present paper, a micro‐mechanical damage model coupled to gradient‐dependent plasticity theory is presented and its finite element algorithm is discussed. By incorporating the Laplacian of plastic strain into the damage constitutive relationship, the known mesh‐dependence is overcome and computational results are uniquely correlated with the given material parameters. The implicit C¹ shape function is used and can be transformed to arbitrary quadrilateral elements. The introduced intrinsic material length parameter is able to predict size effects in material failure. Copyright © 2002 John Wiley & Sons, Ltd.     

Crystal plasticity finite‐element modelling of cyclic deformation and crack initiation in a nickel‐based single‐crystal superalloy under low‐cycle fatigue

Nickel‐based single‐crystal superalloys are predominantly used for turbine blades in aircraft engines and land‐based gas turbines. Understanding and predicting the fatigue failure of Ni‐based single‐crystal superalloys are critical to ensure the safety of these components during operation. In this paper, low‐cycle fatigue experiments were carried out to investigate cyclic deformation of a nickel‐based single‐crystal superalloy MD2, recently developed by GE Power, with different crystallographic orientations. Specialty in situ scanning electron microscope (SEM) tests were also conducted to study the slip‐controlled initiation of short cracks under low‐cycle fatigue. In particular, the stress–strain response for both [001] and [111] orientations was used to calibrate a crystal plasticity model, which allowed us to simulate the activation of crystallographic slip systems and predict the initiation of short fatigue crack. Using the accumulated shear strain as a criterion, the simulations confirmed that the slip system with the maximum accumulated shear strain appeared to control the crack initiation. The location and direction of slip traces and short cracks, captured by the crystal plasticity finite‐element simulations, agreed with the in situ SEM observations. The modelling tool will be valuable for assessing the structural integrity of critical gas turbine blades.     

A new path‐following constraint for strain‐softening finite element simulations

The application of strain‐softening constitutive relations to model the failure modes of real‐life structures is faced to numerical difficulties related to instabilities that appear as sharp snap‐backs of the structural response. A path‐following method has to complement the solution algorithm to achieve convergence despite these critical points. Because of the sharpness of the snap‐backs, it is believed essential that the path‐following constraint distinguish between a purely elastic unloading and a dissipative path. For that purpose, a new constraint based on the maximal value of the elastic predictor for the yield function is proposed. As it is highly non linear, a specific solution algorithm is required. The robustness of this constraint is illustrated by three applications: the study of crack propagations by means of a cohesive zone model, the failure of a structure submitted to nonlocal damage and the simulation of a nonlocal strain‐softening plastic specimen. Copyright © 2004 John Wiley & Sons, Ltd.     

An arbitrary Lagrangian–Eulerian finite element method for finite strain plasticity

This paper presents a new arbitrary Lagrangian–Eulerian (ALE) finite element formulation for finite strain plasticity in non‐linear solid mechanics. We consider the models of finite strain plasticity defined by the multiplicative decomposition of the deformation gradient in an elastic and a plastic part ( F = F ^e F ^p), with the stresses given by a hyperelastic relation. In contrast with more classical ALE approaches based on plastic models of the hypoelastic type, the ALE formulation presented herein considers the direct interpolation of the motion of the material with respect to the reference mesh together with the motion of the spatial mesh with respect to this same reference mesh. This aspect is shown to be crucial for a simple treatment of the advection of the plastic internal variables and dynamic variables. In fact, this advection is carried out exactly through a particle tracking in the reference mesh, a calculation that can be accomplished very efficiently with the use of the connectivity graph of the fixed reference mesh. A staggered scheme defined by three steps (the smoothing, the advection and the Lagrangian steps) leads to an efficient method for the solution of the resulting equations. We present several representative numerical simulations that illustrate the performance of the newly proposed methods. Both quasi‐static and dynamic conditions are considered in these model examples. Copyright © 2003 John Wiley & Sons, Ltd.     

Theory and numerics of a thermodynamically consistent framework for geometrically linear gradient plasticity

The paper presents the theory and the numerics of a thermodynamically consistent formulation of gradient plasticity at small strains. Starting from the classical local continuum formulation, which fails to produce physically meaningful and numerically converging results within localization computations, a thermodynamically motivated gradient plasticity formulation is envisioned. The model is based on an assumption for the Helmholtz free energy incorporating the gradient of the internal history variable, a yield condition and the postulate of maximum dissipation resulting in an associated structure. As a result the driving force conjugated to the hardening evolution is identified as the quasi‐non‐local drag stress which incorporates besides the strictly local drag stress essentially the divergence of a vectorial hardening flux. At the numerical side, besides the balance of linear momentum, the algorithmic consistency condition has to be solved in weak form. Thereby, the crucial issue is the determination of the active constraints exhibiting plastic loading which is solved by an active set search algorithm borrowed from convex non‐linear programming. Moreover, different discretization techniques are proposed in order to compare the FE‐performance in local plasticity with the advocated gradient formulation both for hardening and softening. Copyright © 2001 John Wiley & Sons, Ltd.     

Investigation of integration algorithms for rate-dependent crystal plasticity using explicit finite element codes

The work presented here concerns the use of rate-dependent crystal plasticity into explicit dynamic finite element codes for structural analysis. Different integration or stress update algorithms for the numerical implementation of crystal plasticity, two explicit algorithms and a fully-implicit one, are described in detail and compared in terms of convergence, accuracy and computation time. The results show that the implicit time integration is very robust and stable, provided low enough convergence tolerance is used for low strain-rate sensitivity coefficients, while being the slowest in terms of CPU time. Explicit methods prove to be fast, stable and accurate. The algorithms are then applied to two structural analyses, one concerning flat rolling of a polycrystalline slab and another on the response of a multicrystalline sample under uniaxial tensile condition. The results show that the explicit algorithms perform well with simulation times much smaller compared to their implicit counterpart. Finally, mesh sensitivity for the second structural analysis is investigated and shows to slightly affect the global response of the structure.     

Subsurface crack formation and propagation of fretting fatigue in Ni‐based single‐crystal superalloys

The fretting fatigue crack formation and propagation behaviors of Ni‐based single‐crystal (NBSX) superalloys are investigated in this paper. Subsurface crack formation process is revealed by in situ fretting fatigue experiment. The crack is observed to form on subsurface area, then propagates to the contact surface. Inclusions in materials are found to have obvious effects on crack propagation, and slip lines are closely related to the crack propagation direction. Crystal plastic finite element method (CPFEM) simulation is used to simulate crack formation position. The accumulative plastic strain peaks at the edge of contact zone and the subsurface area. The results show that the CPFEM simulation and in situ observation achieve good agreements.     

Stress‐based finite element analysis of plane plasticity problems

A stress‐based model of the finite element method is evolved for two‐dimensional quasi‐static plasticity problems. The self‐equilibrating fields of stresses are constructed by means of the Airy stress function, which is approximated by three types of elements: the Bogner–Fox–Schmit rectangle, the Hsieh–Clough–Tocher triangle and its reduced variant. Traction boundary conditions are imposed by the use of the Lagrange multiplier method which gives the possibility of calculation of displacements for boundary points. The concept of multi‐point‐constraints elements is applied in order to facilitate the application of this technique. The iterative algorithm, analogous to the closest‐point‐projection method commonly used in the displacement‐based finite element model, is proposed for solving non‐linear equations for each load increment. Two numerical examples with stress‐ and displacement‐controlled load are considered. The results are compared with those obtained by the displacement model of FEM. Bounds for limit loads are obtained. Copyright © 1999 John Wiley & Sons, Ltd.     

On the formulation of closest‐point projection algorithms in elastoplasticity—part I: The variational structure

We present in this paper the characterization of the variational structure behind the discrete equations defining the closest‐point projection approximation in elastoplasticity. Rate‐independent and viscoplastic formulations are considered in the infinitesimal and the finite deformation range, the later in the context of isotropic finite‐strain multiplicative plasticity. Primal variational principles in terms of the stresses and stress‐like hardening variables are presented first, followed by the formulation of dual principles incorporating explicitly the plastic multiplier. Augmented Lagrangian extensions are also presented allowing a complete regularization of the problem in the constrained rate‐independent limit. The variational structure identified in this paper leads to the proper framework for the development of new improved numerical algorithms for the integration of the local constitutive equations of plasticity as it is undertaken in Part II of this work. Copyright © 2001 John Wiley & Sons, Ltd.     

Finite element response sensitivity analysis using force‐based frame models

This paper presents a method to compute consistent response sensitivities of force‐based finite element models of structural frame systems to both material constitutive and discrete loading parameters. It has been shown that force‐based frame elements are superior to classical displacement‐based elements in the sense that they enable, at no significant additional costs, a drastic reduction in the number of elements required for a given level of accuracy in the computed response of the finite element model. This advantage of force‐based elements is of even more interest in structural reliability analysis, which requires accurate and efficient computation of structural response and structural response sensitivities. This paper focuses on material non‐linearities in the context of both static and dynamic response analysis. The formulation presented herein assumes the use of a general‐purpose non‐linear finite element analysis program based on the direct stiffness method. It is based on the general so‐called direct differentiation method (DDM) for computing response sensitivities. The complete analytical formulation is presented at the element level and details are provided about its implementation in a general‐purpose finite element analysis program. The new formulation and its implementation are validated through some application examples, in which analytical response sensitivities are compared with their counterparts obtained using forward finite difference (FFD) analysis. The force‐based finite element methodology augmented with the developed procedure for analytical response sensitivity computation offers a powerful general tool for structural response sensitivity analysis. Copyright © 2004 John Wiley & Sons, Ltd.     

A comparative study of stress update algorithms for rate‐independent and rate‐dependent crystal plasticity

The paper presents a comparative discussion of stress update algorithms for single‐crystal plasticity at small strains. The key result is a new unified fully implicit multisurface‐type return algorithm for both the rate‐independent and the rate‐dependent setting, endowed with three alternative approaches to the regularization of possible redundant slip activities. The fundamental problem of the rate‐independent theory is the possible ill condition due to linear‐dependent active slip systems. We discuss three possible algorithmic approaches to deal with this problem. This includes the use of alternative generalized inverses of the Jacobian of the currently active yield criterion functions as well as a new diagonal shift regularization technique, motivated by a limit of the rate‐dependent theory. Analytical investigations and numerical experiments show that all three approaches result in similar physically acceptable predictions of the active slip of rate‐independent single‐crystal plasticity, while the new proposed diagonal shift method is the most simple and efficient concept. Copyright © 2001 John Wiley & Sons, Ltd.     

运用应变梯度塑性理论模拟颗粒增强铝合金强度及延伸率的尺寸效应

运用基于细观机制的应变梯度塑性理论模拟了不同晶粒尺度、不同第二相颗粒直径及体积分数的铝合金应力应变曲线.结果表明,在相同条件下,随着第二相颗粒直径的减小,或随着第二相体积分数的增加,合金的强度明显增强.相反,随着第二相颗粒体积分数的增加,或随着第二相颗粒直径的减小,合金的均匀延伸率均有所下低.同时对不同晶粒尺寸的铝合金应力应变相应的分析表明,第二相颗粒分布的不均匀性对其力学性能也有一定的影响.     

Implicit iterative finite element scheme for a strain gradient crystal plasticity model based on self-energy of geometrically necessary dislocations

In this study, an implicit iterative finite element scheme is developed for the strain gradient theory of single-crystal plasticity that accounts for the self-energy of geometrically necessary dislocations (GNDs). This strain gradient theory belongs to the Gurtin framework for viscoplastic single-crystals. The self-energy of GNDs gives a specific form of energetic higher-order stresses. An implicit finite element equation is obtained for solving a set of homogenization equations. The developed scheme is employed to analyze a model grain, and is verified by comparison with the analytical estimation derived by Ohno and Okumura (2007) [4]. The computational efficiency of the scheme and the incremental stability are discussed. Furthermore, it is shown that the developed scheme is available and applicable to different types of higher-order stresses including energetic and dissipative terms.     

Finite element formulations of strain gradient theory for microstructures and the C0–1 patch test

Based on finite element formulations for the strain gradient theory of microstructures, a convergence criterion for the C^0–1 patch test is introduced, and a new approach to devise strain gradient finite elements that can pass the C^0–1 patch test is proposed. The displacement functions of several plane triangular elements, which satisfy the C⁰ continuity and weak C¹ continuity conditions are evaluated by the C^0–1 patch test. The difference between the proposed C^0–1 patch test and the C⁰ constant stress and C¹ constant curvature patch tests is elucidated. An 18-DOF plane strain gradient triangular element (RCT9+RT9), which passes the C^0–1 patch test and has no spurious zero energy modes, is proposed. Numerical examples are employed to examine the performance of the proposed element by carrying out the C^0–1 patch test and eigenvalue test. The proposed element is found to be without spurious zero energy modes, and it possesses higher accuracy compared with other strain gradient elements. Copyright © 2004 John Wiley & Sons, Ltd.     

A three‐dimensional C1 finite element for gradient elasticity

In gradient elasticity strain gradient terms appear in the expression of virtual work, leading to the need for C¹ continuous interpolation in finite element discretizations of the displacement field only. Employing such interpolation is generally avoided in favour of the alternative methods that interpolate other quantities as well as displacement, due to the scarcity of C¹ finite elements and their perceived computational cost. In this context, the lack of three‐dimensional C¹ elements is of particular concern. In this paper we present a new C¹ hexahedral element which, to the best of our knowledge, is the first three‐dimensional C¹ element ever constructed. It is shown to pass the single element and patch tests, and to give excellent rates of convergence in benchmark boundary value problems of gradient elasticity. It is further shown that C¹ elements are not necessarily more computationally expensive than alternative approaches, and it is argued that they may be more efficient in providing good‐quality solutions. Copyright © 2008 John Wiley & Sons, Ltd.