A two-way coupled multiscale model for predicting damage-associated performance of asphaltic roadways

This paper presents a quasi-static multiscale computational model with its verification and rational applications to mechanical behavior predictions of asphaltic roadways that are subject to viscoelastic deformation and fracture damage. The multiscale model is based on continuum thermo-mechanics and is implemented using a finite element formulation. Two length scales (global and local) are two-way coupled in the model framework by linking a homogenized global scale to a heterogeneous local scale representative volume element. With the unique multiscaling and the use of the finite element technique, it is possible to take into account the effect of material heterogeneity, viscoelasticity, and anisotropic damage accumulation in the small scale on the overall performance of larger scale structures. Along with the theoretical model formulation, two example problems are shown: one to verify the model and its computational benefits through comparisons with analytical solutions and single-scale simulation results, and the other to demonstrate the applicability of the approach to model general roadway structures where material viscoelasticity and cohesive zone fracture are involved.     

An embedded atom hyperelastic constitutive model and multiscale cohesive finite element method

Based on embedded atom method (EAM), an embedded atom hyperelastic (EAH) constitutive model is developed. The proposed EAH constitutive model provides a multiscale formalism to determine mesoscale or macroscale material behavior by atomistic information. By combining the EAH with cohesive zone model (CZM), a multiscale embedded atom cohesive finite element model (EA-cohesive FEM) is developed for simulating failure of materials at mesoscale and macroscale, e.g. fracture and crack propagation etc. Based on EAH, the EA-cohesive FEM applies the Cauchy-Born rule to calculate mesoscale or macroscale material response for bulk elements. Within the cohesive zone, a generalized Cauchy-Born rule is applied to find the effective normal and tangential traction-separation cohesive laws of EAH material. Since the EAM is a realistic semi-empirical interatomic potential formalism, the EAH constitutive model and the EA-cohesive FEM are physically meaningful when it is compared with experimental data. The proposed EA-cohesive FEM is validated by comparing the simulation results with the results of large scale molecular dynamics simulation. Simulation result of dynamic crack propagation is presented to demonstrate the capacity of EA-cohesive FEM in capturing the dynamic fracture.     

Applications of normal stress dominated cohesive zone models for mixed-mode crack simulation based on extended finite element methods

In conventional cohesive zone models the traction-separation law starts from zero load, so that the model cannot be applied to predict mixed-mode cracking. In the present work the cohesive zone model with a threshold is introduced and applied for simulating different mixed-mode cracks in combining with the extended finite element method. Computational results of cracked specimens show that the crack initiation and propagation under mixed-mode loading conditions can be characterized by the cohesive zone model for normal stress failure. The contribution of the shear stress is negligible. The maximum principal stress predicts crack direction accurately. Computations based on XFEM agree with known experiments very well. The shear stress becomes, however, important for uncracked specimens to catch the correct crack initiation angle. To study mixed-mode cracks one has to introduce a threshold into the cohesive law and to implement the new cohesive zone based on the fracture criterion. In monotonic loading cases it can be easily realized in the extended finite element formulation. For cyclic loading cases convergence of the inelastic computations can be critical.     

The cohesive band model: a cohesive surface formulation with stress triaxiality

In the cohesive surface model cohesive tractions are transmitted across a two-dimensional surface, which is embedded in a three-dimensional continuum. The relevant kinematic quantities are the local crack opening displacement and the crack sliding displacement, but there is no kinematic quantity that represents the stretching of the fracture plane. As a consequence, in-plane stresses are absent, and fracture phenomena as splitting cracks in concrete and masonry, or crazing in polymers, which are governed by stress triaxiality, cannot be represented properly. In this paper we extend the cohesive surface model to include in-plane kinematic quantities. Since the full strain tensor is now available, a three-dimensional stress state can be computed in a straightforward manner. The cohesive band model is regarded as a subgrid scale fracture model, which has a small, yet finite thickness at the subgrid scale, but can be considered as having a zero thickness in the discretisation method that is used at the macroscopic scale. The standard cohesive surface formulation is obtained when the cohesive band width goes to zero. In principle, any discretisation method that can capture a discontinuity can be used, but partition-of-unity based finite element methods and isogeometric finite element analysis seem to have an advantage since they can naturally incorporate the continuum mechanics. When using interface finite elements, traction oscillations that can occur prior to the opening of a cohesive crack, persist for the cohesive band model. Example calculations show that Poisson contraction influences the results, since there is a coupling between the crack opening and the in-plane normal strain in the cohesive band. This coupling holds promise for capturing a variety of fracture phenomena, such as delamination buckling and splitting cracks, that are difficult, if not impossible, to describe within a conventional cohesive surface model.     

Effect of residual stress on cleavage fracture toughness by using cohesive zone model

This study presents the effect of residual stresses on cleavage fracture toughness by using the cohesive zone model under mode I, plane stain conditions. Modified boundary layer simulations were performed with the remote boundary conditions governed by the elastic K‐field and T‐stress. The eigenstrain method was used to introduce residual stresses into the finite element model. A layer of cohesive elements was deployed ahead of the crack tip to simulate the fracture process zone. A bilinear traction–separation‐law was used to characterize the behaviour of the cohesive elements. It was assumed that the initiation of the crack occurs when the opening stress drops to zero at the first integration point of the first cohesive element ahead of the crack tip. Results show that tensile residual stresses can decrease the cleavage fracture toughness significantly. The effect of the weld zone size on cleavage fracture toughness was also investigated, and it has been found that the initiation toughness is the linear function of the size of the geometrically similar weld. Results also show that the effect of the residual stress is stronger for negative T‐stress while its effect is relatively smaller for positive T‐stress. The influence of damage parameters and material hardening was also studied.     

Computational multiscale modelling of heterogeneous material layers

A computational homogenization procedure for a material layer that possesses an underlying heterogeneous microstructure is introduced within the framework of finite deformations. The macroscopic material properties of the material layer are obtained from multiscale considerations. At the macro level, the layer is resolved as a cohesive interface situated within a continuum, and its underlying microstructure along the interface is treated as a continuous representative volume element of given height. The scales are linked via homogenization with customized hybrid boundary conditions on this representative volume element, which account for the deformation modes along the interface. A nested numerical solution scheme is adopted to link the macro and micro scales. Numerical examples successfully display the capability of the proposed approach to solve macroscopic boundary value problems with an evaluation of the constitutive properties of the material layer based on its micro-constitution.     

Cohesive modeling of dynamic fracture in functionally graded materials

The dynamic fracture of functionally graded materials (FGMs) is modeled using an explicit cohesive volumetric finite element scheme that incorporates spatially varying constitutive and failure properties. The cohesive element response is described by a rate-independent bilinear cohesive failure model between the cohesive traction acting along the cohesive zone and the associated crack opening displacement. A detailed convergence analysis is conducted to quantify the effect of the material gradient on the ability of the numerical scheme to capture elastodynamic wave propagation. To validate the numerical scheme, we simulate dynamic fracture experiments performed on model FGM compact tension specimens made of a polyester resin with varying amounts of plasticizer. The cohesive finite element scheme is then used in a parametric study of mode I dynamic failure of a Ti/TiB FGM, with special emphasis on the effect of the material gradient on the initiation, propagation and arrest of the crack.     

Overcoming the cohesive zone limit in composites delamination: modeling with slender structural elements and higher-order adaptive integration

Cohesive element (CE) is a well-established finite element for fracture, widely used for the modeling of delamination in composites. However, an extremely fine mesh is usually needed to resolve the cohesive zone, making CE-based delamination analysis computationally prohibitive for applications beyond the scale of lab coupons. In this work, a new CE-based method of modeling delamination in composites is proposed to overcome this cohesive zone limit on the mesh density. The proposed method makes use of slender structural elements for the plies, a compatible formulation with adaptive higher-order integration for the CEs, and the corotational formulation for geometrically nonlinear analysis. The proposed method is verified and validated on the classical benchmark problems of Mode I, II, mixed-mode delamination, a buckling-induced delamination problem and a double-delamination problem. The results show that elements much larger than the cohesive zone length can be used while retaining accuracy.     

Higher order Cauchy–Born rule based multiscale cohesive zone model and prediction of fracture toughness of silicon thin films

In this work, we extend the multiscale cohesive zone model (MCZM) (Zeng and Li in Comput Methods Appl Mech Eng 199:547–556, 2010), in which interatomic potential is embedded into constitutive relation to express cohesive law in fracture process zone, to include the hierarchical Cauchy–Born rule in the process zone and to simulate three dimensional fracture in silicon thin films. The model has been applied to simulate fracture stress and fracture toughness of single-crystal silicon thin film by using the Tersoff potential. In this study, a new approach has been developed to capture inhomogeneous deformation inside the cohesive zone. For this purpose, we introduce higher order Cauchy–Born rules to construct constitutive relations for corresponding higher order process zone elements, and we introduce a sigmoidal function supported bubble mode in finite element shape function of those higher order cohesive zone elements to capture the nonlinear inhomogeneous deformation inside the cohesive zone elements. Benchmark tests with simple 3D models have confirmed that the present method can predict the fracture toughness of silicon thin films. Interestingly, this is accomplished without increasing of computational cost, because the present model does not require quadratic elements to represent heterogeneous deformation, which is the inherent weakness of the previous MCZM model. Quantitative comparisons with experimental results are performed by computing crack propagation in non-notched and initially notched silicon thin films, and it is found that our model can reproduce essential material properties, such as Young’s modulus, fracture stress, and fracture toughness of single-crystal silicon thin films.     

Cohesive surface model for fracture based on a two-scale formulation: computational implementation aspects

The paper describes the computational aspects and numerical implementation of a two-scale cohesive surface methodology developed for analyzing fracture in heterogeneous materials with complex micro-structures. This approach can be categorized as a semi-concurrent model using the representative volume element concept. A variational multi-scale formulation of the methodology has been previously presented by the authors. Subsequently, the formulation has been generalized and improved in two aspects: (i) cohesive surfaces have been introduced at both scales of analysis, they are modeled with a strong discontinuity kinematics (new equations describing the insertion of the macro-scale strains, into the micro-scale and the posterior homogenization procedure have been considered); (ii) the computational procedure and numerical implementation have been adapted for this formulation. The first point has been presented elsewhere, and it is summarized here. Instead, the main objective of this paper is to address a rather detailed presentation of the second point. Finite element techniques for modeling cohesive surfaces at both scales of analysis (FE\(^2\) approach) are described: (i) finite elements with embedded strong discontinuities are used for the macro-scale simulation, and (ii) continuum-type finite elements with high aspect ratios, mimicking cohesive surfaces, are adopted for simulating the failure mechanisms at the micro-scale. The methodology is validated through numerical simulation of a quasi-brittle concrete fracture problem. The proposed multi-scale model is capable of unveiling the mechanisms that lead from the material degradation phenomenon at the meso-structural level to the activation and propagation of cohesive surfaces at the structural scale.     

A Numerical Method for Simulating the Microscopic Damage Evolution in Composites Under Uniaxial Transverse Tension

In this paper, a new numerical method that combines a surface-based cohesive model and extended finite element method (XFEM) without predefining the crack paths is presented to simulate the microscopic damage evolution in composites under uniaxial transverse tension. The proposed method is verified to accurately capture the crack kinking into the matrix after fiber/matrix debonding. A statistical representative volume element (SRVE) under periodic boundary conditions is used to approximate the microstructure of the composites. The interface parameters of the cohesive models are investigated, in which the initial interface stiffness has a great effect on the predictions of the fiber/matrix debonding. The detailed debonding states of SRVE with strong and weak interfaces are compared based on the surface-based and element-based cohesive models. The mechanism of damage in composites under transverse tension is described as the appearance of the interface cracks and their induced matrix micro-cracking, both of which coalesce into transversal macro-cracks. Good agreement is found between the predictions of the model and the in situ experimental observations, demonstrating the efficiency of the presented model for simulating the microscopic damage evolution in composites.     

A generalized phase field multiscale finite element method for brittle fracture

A generalized multiscale finite element method is introduced to address the computationally taxing problem of elastic fracture across scales. Crack propagation is accounted for at the microscale utilizing phase field theory. Both the displacement-based equilibrium equations and phase field state equations at the microscale are mapped on a coarser scale. The latter is defined by a set of multinode coarse elements, where solution of the governing equations is performed. Mapping is achieved by employing a set of numerically derived multiscale shape functions. A set of representative benchmark tests is used to verify the proposed procedure and assess its performance in terms of accuracy and efficiency compared with the standard phase field finite element implementation.     

A coupled molecular dynamics and extended finite element method for dynamic crack propagation

A multiscale method is presented which couples a molecular dynamics approach for describing fracture at the crack tip with an extended finite element method for discretizing the remainder of the domain. After recalling the basic equations of molecular dynamics and continuum mechanics, the discretization is discussed for the continuum subdomain where the partition‐of‐unity property of finite element shape functions is used, since in this fashion the crack in the wake of its tip is naturally modelled as a traction‐free discontinuity. Next, the zonal coupling method between the atomistic and continuum models is recapitulated. Finally, it is discussed how the stress has been computed in the atomic subdomain, and a two‐dimensional computation is presented of dynamic fracture using the coupled model. The result shows multiple branching, which is reminiscent of recent results from simulations on dynamic fracture using cohesive‐zone models. Copyright © 2009 John Wiley & Sons, Ltd.     

Bone fracture characterization using the end notched flexure test

A miniaturized version of the end notch flexure test was used in the context of pure mode II fracture characterization of bovine cortical bone. To overcome the difficulties intrinsic to crack length monitoring during its propagation an equivalent crack method was employed as data reduction scheme. The proposed method was validated numerically by means of a finite element analysis including a cohesive zone modeling and subsequently applied to experimental results to determine the fracture energy of bone under pure mode II loading. Finally, a cohesive law representative of fracture behavior of each specimen was determined employing an inverse method, considering a trapezoidal shape for the softening law. The consistency of the obtained results leads to the conclusion that the trapezoidal law is adequate to simulate fracture behavior of bone under mode II loading. The proposed testing setup and the employed data reduction scheme constitute powerful tools in which concerns fracture characterization of bone under pure mode II loading and can be viewed as the main outcomes of this work.     

A partition of unity‐based multiscale approach for modelling fracture in piezoelectric ceramics

The development of models for a priori assessment of the reliability of micro electromechanical systems is of crucial importance for the further development of such devices. In this contribution a partition of unity‐based cohesive zone finite element model is employed to mimic crack nucleation and propagation in a piezoelectric continuum. A multiscale framework to appropriately represent the influence of the microstructure on the response of a miniaturized component is proposed. It is illustrated that using the proposed multiscale method a representative volume element exists. Numerical simulations are performed to demonstrate the constitutive homogenization framework. Copyright © 2009 John Wiley & Sons, Ltd.     

A framework for implementation of RVE‐based multiscale models in computational homogenization using isogeometric analysis

This study presents an isogeometric framework for incorporating representative volume element–based multiscale models into computational homogenization. First‐order finite deformation homogenization theory is derived within the framework of the method of multiscale virtual power, and Lagrange multipliers are used to illustrate the effects of considering different kinematical constraints. Using a Lagrange multiplier approach in the numerical implementation of the discrete system naturally leads to a consolidated treatment of the commonly employed representative volume element boundary conditions. Implementation of finite deformation computational strain‐driven, stress‐driven, and mixed homogenization is detailed in the context of isogeometric analysis (IGA), and performance is compared to standard finite element analysis. As finite deformations are considered, a numerical multiscale stability analysis procedure is also detailed for use with IGA. Unique implementation aspects that arise when computational homogenization is performed using IGA are discussed, and the developed framework is applied to a complex curved microstructure representing an architectured material.     

A micromechanical fracture analysis to investigate the effect of healing particles on the overall mechanical response of a self‐healing particulate composite

A computational fracture analysis is conducted on a self‐healing particulate composite employing a finite element model of an actual microstructure. The key objective is to quantify the effects of the actual morphology and the fracture properties of the healing particles on the overall mechanical behaviour of the (MoSi₂) particle‐dispersed Yttria Stabilised Zirconia (YSZ) composite. To simulate fracture, a cohesive zone approach is utilised whereby cohesive elements are embedded throughout the finite element mesh allowing for arbitrary crack initiation and propagation in the microstructure. The fracture behaviour in terms of the composite strength and the percentage of fractured particles is reported as a function of the mismatch in fracture properties between the healing particles and the matrix as well as a function of particle/matrix interface strength and fracture energy. The study can be used as a guiding tool for designing an extrinsic self‐healing material and understanding the effect of the healing particles on the overall mechanical properties of the material.     

Modelling the quasi-static behaviour of bituminous material using a cohesive zone model

This paper investigates the applicability of a cohesive zone model for simulating the performance of bituminous material subjected to quasi-static loading. The Dugdale traction law was implemented within a finite volume code in order to simulate the binder course mortar material response when subjected to indirect tensile loading. A uniaxial tensile test and a three-point bend test were employed to determine initial stress-strain curves at different test rates and the cohesive zone parameters (specifically, fracture energy and cohesive strength). Numerical results agree well with the experimental data up to the peak load and onset of fracture, demonstrating the value of the cohesive zone modelling technique in successfully predicting fracture initiation and maximum material strength.     

The cohesive zone model in a problem of delayed hydride cracking of zirconium alloys

The crack tip model with the cohesive zone ahead of a finite crack tip has been presented. The estimation of the length of the cohesive zone and the crack tip opening displacement is based on the comparison of the local stress concentration, according to Westergaard's theory, with the cohesive stress. To calculate the cohesive stress, von Mises yield condition at the boundary of the cohesive zone is employed for plane strain and plane stress. The model of the stress distribution with the maximum stress within the cohesive zone is discussed. Local criterion of brittle fracture and modelling of the fracture process zone by cohesive zone were used to describe fracture initiation at the hydride platelet in the process zone ahead of the crack tip. It was shown that the theoretical K _IH-estimation applied to the case of mixed plane condition within the process zone is qualitatively consistent with experimental data for unirradiated Zr-2.5Nb alloy. In the framework of the proposed model, the theoretical value of K ^H _IC for a single hydride platelet at the crack tip has been also estimated.