Evaluation of the effective mechanical properties of single walled carbon nanotubes using a spring based finite element approach

The development of a finite element formulation that is appropriate for the computation of Young’s and Shear modulus of single walled carbon nanotubes (SWCNTs) is the purpose of this paper. The method utilizes the atomistic microstructure of the nanotubes. According to the three-dimensional atomic nanostructure of SWCNTs, nodes are defined at the atom locations. Appropriate spring-type elements interconnect these nodes to simulate properly interatomic interactions. This approach is implemented via the use of three-dimensional spring-like elements each node of which obeys to three translations and three rotations. In this way, molecular mechanics theory can be applied directly while the atomic bonds are modeled by using exclusively physical variables such as bond stretching, bond angle bending and torsional rotation resistance force constants. With the proposed method, the Young’s and shear modulus of numerous SWCNTs were determined. The effect of the nanotube radius and thickness on the mechanical behavior of SWCNTs was tested and demonstrated. The numerical results show good agreement with other corresponding values which are available in the literature.     

Finite element response sensitivity analysis using three‐field mixed formulation: general theory and application to frame structures

This paper presents a method to compute response sensitivities of finite element models of structures based on a three‐field mixed formulation. The methodology is based on the direct differentiation method (DDM), and produces the response sensitivities consistent with the numerical finite element response. The general formulation is specialized to frame finite elements and details related to a newly developed steel–concrete composite frame element are provided. DDM sensitivity results are validated through the forward finite difference method (FDM) using a finite element model of a realistic steel–concrete composite frame subjected to quasi‐static and dynamic loading. The finite element model of the structure considered is constructed using both monolithic frame elements and composite frame elements with deformable shear connection based on the three‐field mixed formulation. The addition of the analytical sensitivity computation algorithm presented in this paper extends the use of finite elements based on a three‐field mixed formulation to applications that require finite element response sensitivities. Such applications include structural reliability analysis, structural optimization, structural identification, and finite element model updating. Copyright © 2006 John Wiley & Sons, Ltd.     

A physically and geometrically nonlinear scaled‐boundary‐based finite element formulation for fracture in elastomers

This paper is devoted to the formulation of a plane scaled boundary finite element with initially constant thickness for physically and geometrically nonlinear material behavior. Special two‐dimensional element shape functions are derived by using the analytical displacement solution of the standard scaled boundary finite element method, which is originally based on linear material behavior and small strains. These 2D shape functions can be constructed for an arbitrary number of element nodes and allow to capture singularities (e.g., at a plane crack tip) analytically, without extensive mesh refinement. Mapping these proposed 2D shape functions to the 3D case, a formulation that is compatible with standard finite elements is obtained. The resulting physically and geometrically nonlinear scaled boundary finite element formulation is implemented into the framework of the finite element method for bounded plane domains with and without geometrical singularities. The numerical realization is shown in detail. To represent the physically and geometrically nonlinear material and structural behavior of elastomer specimens, the extended tube model and the Yeoh model are used. Numerical studies on the convergence behavior and comparisons with standard Q1P0 finite elements demonstrate the correct implementation and the advantages of the developed scaled boundary finite element. Copyright © 2014 John Wiley & Sons, Ltd.     

An XFEM plate element for high gradient zones resulted from yield lines

A high gradient of displacement field occurs when a yield line is formed in a plate with elasto‐plastic material. For such applications, the extended finite element method has shown to be an effective numerical method to capture the behavior of a plate with a locally nonsmooth displacement field, and a displacement field with a high gradient. In this article, a six‐node isoparametric plate element with extended finite element method formulation is presented to capture the elasto‐plastic behavior of a plate in small‐deformation analyses. The Hermite function is adopted at the element level to enrich both the translational and the rotational displacement approximation fields so that nonsmoothness in displacement fields near a yield line can be simulated. Copyright © 2013 John Wiley & Sons, Ltd.     

Polyhedral elements by means of node/edge‐based smoothed finite element method

The node‐based or edge‐based smoothed finite element method is extended to develop polyhedral elements that are allowed to have an arbitrary number of nodes or faces, and so retain a good geometric adaptability. The strain smoothing technique and implicit shape functions based on the linear point interpolation make the element formulation simple and straightforward. The resulting polyhedral elements are free from the excessive zero‐energy modes and yield a robust solution very much insensitive to mesh distortion. Several numerical examples within the framework of linear elasticity demonstrate the accuracy and convergence behavior. The smoothed finite element method‐based polyhedral elements in general yield solutions of better accuracy and faster convergence rate than those of the conventional finite element methods. Copyright © 2016 John Wiley & Sons, Ltd.     

Stress‐hybrid quadrilateral finite element with embedded strong discontinuity for failure analysis of plane stress solids

A formulation of a quadrilateral finite element with embedded strong discontinuity, suitable for the material failure numerical analysis of plane stress solids, is presented. The kinematics of standard finite element is enhanced by displacement jumps that vary linearly along the embedded discontinuity line. They are described by four kinematic parameters that are related to four element separation modes. The modes are designed for no stress transfer over the discontinuity line at its fully softened (opened) state. As for the material, the bulk of the element is assumed to be elastic, and the softening plasticity, in terms of discontinuity tractions and displacement jumps, is assumed along the discontinuity line. The bulk stresses are described by the optimal five‐parameter interpolation. The combination of stress interpolation and enhanced kinematics yields simple form of the element stiffness matrix. To achieve efficient implementation, the stiffness matrix is statically condensed for both the enhanced kinematic parameters and the stress parameters. In a set of numerical examples, the performance of the derived element is illustrated. Obtained results are compared with some other representative embedded discontinuity quadrilateral elements (displacement‐based and enhanced assumed strain based). It turns out that the element performs very well. Copyright © 2013 John Wiley & Sons, Ltd.     

Linear finite elements with orthogonal discontinuous basis functions for explicit earthquake ground motion modeling

The dynamic explicit finite element method is commonly used in earthquake ground motion modeling. In this method, the element mass matrix is approximately lumped, which may lead to numerical dispersion. On the other hand, the orthogonal finite element method, based on orthogonal polynomial basis functions, naturally derives a lumped diagonal mass matrix and can be applied to dynamic explicit finite element analysis. In this paper, we propose finite elements based on orthogonal discontinuous basis functions, the element mass matrices of which are lumped without approximation. Orthogonal discontinuous basis functions are used to improve the accuracy and reduce the numerical dispersion in earthquake ground motion modeling. We present a detailed formulation of the 4‐node tetrahedral and 8‐node hexahedral elements. The relationship between the proposed finite elements and conventional finite elements is investigated, and the solutions obtained from the conventional explicit finite element method are compared with analytical solutions to verify the numerical dispersion caused by the lumping approximation. Comparison of solutions obtained with the proposed finite elements to analytical solutions demonstrates the usefulness of the technique. Examples are also presented to illustrate the effectiveness of the proposed method in earthquake ground motion modeling in the actual three‐dimensional crust structure. Copyright © 2010 John Wiley & Sons, Ltd.     

A spline wavelet finite‐element method in structural mechanics

The wavelet‐based methods are powerful to analyse the field problems with changes in gradients and singularities due to the excellent multi‐resolution properties of wavelet functions. Wavelet‐based finite elements are often constructed in the wavelet space where field displacements are expressed as a product of wavelet functions and wavelet coefficients. When a complex structural problem is analysed, the interface between different elements and boundary conditions cannot be easily treated as in the case of conventional finite‐element methods (FEMs). A new wavelet‐based FEM in structural mechanics is proposed in the paper by using the spline wavelets, in which the formulation is developed in a similar way of conventional displacement‐based FEM. The spline wavelet functions are used as the element displacement interpolation functions and the shape functions are expressed by wavelets. The detailed formulations of typical spline wavelet elements such as plane beam element, in‐plane triangular element, in‐plane rectangular element, tetrahedral solid element, and hexahedral solid element are derived. The numerical examples have illustrated that the proposed spline wavelet finite‐element formulation achieves a high numerical accuracy and fast convergence rate. Copyright © 2005 John Wiley & Sons, Ltd.     

Vademecum‐based GFEM (V‐GFEM): optimal enrichment for transient problems

This paper proposes a generalized finite element method based on the use of parametric solutions as enrichment functions. These parametric solutions are precomputed off‐line and stored in memory in the form of a computational vademecum so that they can be used on‐line with negligible cost. This renders a more efficient computational method than traditional finite element methods at performing simulations of processes. One key issue of the proposed method is the efficient computation of the parametric enrichments. These are computed and efficiently stored in memory by employing proper generalized decompositions. Although the presented method can be broadly applied, it is particularly well suited in manufacturing processes involving localized physics that depend on many parameters, such as welding. After introducing the vademecum‐generalized finite element method formulation, we present some numerical examples related to the simulation of thermal models encountered in welding processes. Copyright © 2016 John Wiley & Sons, Ltd.     

Non‐reflecting boundary conditions for atomistic,continuum and coupled atomistic/continuum simulations

We present a method to numerically calculate a non‐reflecting boundary condition which is applicable to atomistic, continuum and coupled multiscale atomistic/continuum simulations. The method is based on the assumption that the forces near the domain boundary can be well represented as a linear function of the displacements, and utilizes standard Laplace and Fourier transform techniques to eliminate the unnecessary degrees of freedom. The eliminated degrees of freedom are accounted for in a time‐history kernel that can be calculated for arbitrary crystal lattices and interatomic potentials, or regular finite element meshes using an automated numerical procedure. The new theoretical developments presented in this work allow the application of the method to non‐nearest neighbour atomic interactions; it is also demonstrated that the identical procedure can be used for finite element and mesh‐free simulations. We illustrate the effectiveness of the method on a one‐dimensional model problem, and calculate the time‐history kernel for FCC gold using the embedded atom method (EAM). Copyright © 2005 John Wiley & Sons, Ltd.     

Numerical manifold space of Hermitian form and application to Kirchhoff's thin plate problems

For second‐order problems, where the behavior is described by second‐order partial differential equations, the numerical manifold method (NMM) has gained great success. Because of difficulties in the construction of the H ²‐regular Lagrangian partition of unity subordinate to the finite element cover; however, few applications of the NMM have been found to fourth‐order problems such as Kirchhoff's thin plate problems. Parallel to the finite element methods, this study constructs the numerical manifold space of the Hermitian form to solve fourth‐order problems. From the minimum potential principle, meanwhile, the mixed primal formulation and the penalized formulation fitted to the NMM for Kirchhoff's thin plate problems are derived. The typical examples indicate that by the proposed procedures, even those earliest developed elements in the finite element history, such as Zienkiewicz's plate element, regain their vigor. Copyright © 2013 John Wiley & Sons, Ltd.     

Formulation and numerical treatment of incompressibility constraints in large strain elastic–plastic analysis

The present paper is concerned with an efficient framework for a nonlinear finite element procedure for the rate‐independent finite strain analysis of solids undergoing large elastic‐isochoric plastic deformations. The formulation relies on the introduction of a mixed‐variant metric deformation tensor which will be multiplicatively decomposed into a plastic and an elastic part. This leads to the definition of an appropriate logarithmic strain measure which can be additively decomposed into the exact isochoric (deviatoric) and volumetric (spheric) strain measures. This fact may be seen as the basic idea in the formulation of appropriate mixed finite elements which guarantee the accurate computation of isochoric strains. The mixed‐variant logarithmic elastic strain tensor provides a basis for the definition of a local isotropic hyperelastic stress response whereas the plastic material behavior is assumed to be governed by a generalized J₂ yield criterion and rate‐independent isochoric plastic strain rates are computed using an associated flow rule. On the numerical side, the computation of the logarithmic strain tensors is based on higher‐order Padé approximations. To be able to take into account the plastic incompressibility constraint a modified mixed variational principle is considered which leads to a quasi‐displacement finite element procedure. Finally, the numerical solution of finite strain elastic‐plastic problems is presented to demonstrate the efficiency and the accuracy of the algorithm. Copyright © 1999 John Wiley & Sons, Ltd.     

New development in extended finite element modeling of large elasto‐plastic deformations

This paper presents new achievements in the extended finite element modeling of large elasto‐plastic deformation in solid problems. The computational technique is presented based on the extended finite element method (X‐FEM) coupled with the Lagrangian formulation in order to model arbitrary interfaces in large deformations. In X‐FEM, the material interfaces are represented independently of element boundaries, and the process is accomplished by partitioning the domain with some triangular sub‐elements whose Gauss points are used for integration of the domain of elements. The large elasto‐plastic deformation formulation is employed within the X‐FEM framework to simulate the non‐linear behavior of materials. The interface between two bodies is modeled by using the X‐FEM technique and applying the Heaviside‐ and level‐set‐based enrichment functions. Finally, several numerical examples are analyzed, including arbitrary material interfaces, to demonstrate the efficiency of the X‐FEM technique in large plasticity deformations. Copyright © 2008 John Wiley & Sons, Ltd.     

A super‐element for crack analysis in the time domain

A super‐element for the dynamic analysis of two‐dimensional crack problems is developed based on the scaled boundary finite‐element method. The boundary of the super‐element containing a crack tip is discretized with line elements. The governing partial differential equations formulated in the scaled boundary co‐ordinates are transformed to ordinary differential equations in the frequency domain by applying the Galerkin's weighted residual technique. The displacements in the radial direction from the crack tip to a point on the boundary are solved analytically without any a priori assumption. The scaled boundary finite‐element formulation leads to symmetric static stiffness and mass matrices. The super‐element can be coupled seamlessly with standard finite elements. The transient response is evaluated directly in the time domain using a standard time‐integration scheme. The stress field, including the singularity around the crack tip, is expressed semi‐analytically. The stress intensity factors are evaluated without directly addressing singular functions, as the limit in their definitions is performed analytically. Copyright © 2004 John Wiley & Sons, Ltd.     

The element connectivity parameterization formulation for the topology design optimization of multiphysics systems

In spite of the success of the element‐density‐based topology optimization method in many problems including multiphysics design problems, some numerical difficulties, such as temperature undershooting, still remain. In this work, we develop an element connectivity parameterization (ECP) formulation for the topology optimization of multiphysics problems in order to avoid the numerical difficulties and yield improved results. In the proposed ECP formulation, finite elements discretizing a given design domain are not connected directly, but through sets of one‐dimensional zero‐length links simulating elastic springs, electric or thermal conductors. The discretizing finite elements remain solid during the whole analysis, and the optimal layout is determined by an optimal distribution of the inter‐element connectivity degrees that are controlled by the stiffness values of the links. The detailed procedure for this new formulation for multiphysics problems is presented. Using one‐dimensional heat transfer models, the problem of the element‐density‐based method is explained and the advantage of the ECP method is addressed. Copyright © 2005 John Wiley & Sons, Ltd.     

A modified least‐squares mixed finite element with improved momentum balance

The main goal of this contribution is to provide an improved mixed finite element for quasi‐incompressible linear elasticity. Based on a classical least‐squares formulation, a modified weak form with displacements and stresses as process variables is derived. This weak form is the basis for a finite element with an advanced fulfillment of the momentum balance and therefore with a better performance. For the continuous approximation of stresses and displacements on the triangular and tetrahedral elements, lowest‐order Raviart–Thomas and linear standard Lagrange interpolations can be used. It is shown that coercivity and continuity of the resulting asymmetric bilinear form could be established with respect to appropriate norms. Further on, details about the implementation of the least‐squares mixed finite elements are given and some numerical examples are presented in order to demonstrate the performance of the proposed formulation. Copyright © 2009 John Wiley & Sons, Ltd.     

Consistent coupling of beam and shell models for thermo‐elastic analysis

In this paper, the finite element formulation of a transition element for consistent coupling between shell and beam finite element models of thin‐walled beam‐like structures in thermo‐elastic problems is presented. Thin‐walled beam‐like structures modelled only with beam elements cannot be used to study local stress concentrations or to provide local mechanical or thermal boundary conditions. For this purpose, the structure has to be modelled using shell elements. However, computations using shell elements are a lot more expensive as compared to beam elements. The finite element model can be more efficient when the shell elements are used only in regions where the local effects are to be studied or local boundary conditions have to be provided. The remaining part of the structure can be modelled with beam elements. To couple these two models (i.e. shell and beam models) at transitional cross‐sections, transition elements are derived here for thermo‐elastic problems. The formulation encloses large displacement and rotational behaviour, which is important in case of thin‐walled beam‐like structures. Copyright © 2004 John Wiley & Sons, Ltd.     

Multi‐scale modeling of surface effect via the boundary Cauchy–Born method

In this paper, a novel multi‐scale approach is developed for modeling of the surface effect in crystalline nano‐structures. The technique is based on the Cauchy–Born hypothesis in which the strain energy density of the equivalent continua is calculated by means of inter‐atomic potentials. The notion of introducing the surface effect in the finite element method is based on the intrinsic function of quadratures, called as an indicator of material behavior. The information of quadratures is derived by interpolating the data from probable representative atoms in their proximity. The technique is implemented by the definition of reference boundary CB elements, which enable to capture not only the surface but also the edge and corner effects. As the surface effect is important in small‐scale simulation, the relative number of boundary CB elements increases which leads to predomination of boundary effects in the model. In order to implement the equivalent continua in boundary value problems, the updated‐Lagrangian formulation of nonlinear finite element is derived. The numerical simulation of the proposed model together with the direct comparison with fully atomistic model indicates that the technique provides promising results for facile modeling of boundary effects and investigating its effect on the mechanical response of metallic nano‐scale devices. Copyright © 2010 John Wiley & Sons, Ltd.     

A new mass lumping scheme for the mixed hybrid finite element method

Diffusion‐type partial differential equation is a common mathematical model in physics. Solved by mixed finite elements, it leads to a system matrix which is not always an M‐matrix. Therefore, the numerical solution may exhibit unphysical results due to oscillations. The criterion necessary to obtain an M‐matrix is discussed in details for triangular, rectangular and tetrahedral elements. It is shown that the system matrix is never an M‐matrix for rectangular elements and can be an M‐matrix for triangular an tetrahedral elements if criteria on the element's shape and on the time step length are fulfilled. A new mass lumping scheme is developed which leads to a less restrictive criterion: the discretization must be weakly acute (all angles less than π/2) and there is no constraint on the time step length. The lumped formulation of mixed hybrid finite element can be applied not only to triangular meshes but also to more general shape elements in two and three dimensions. Numerical experiments show that, compared to the standard mixed hybrid formulation, the lumping scheme avoids (or strongly reduce) oscillations and does not create additional numerical errors. Copyright © 2006 John Wiley & Sons, Ltd.     

Multi‐scale modeling of surface effects in nano‐materials with temperature‐related Cauchy‐Born hypothesis via the modified boundary Cauchy‐Born model

In nano‐structures, the influence of surface effects on the properties of material is highly important because the ratio of surface to volume at the nano‐scale level is much higher than that of the macro‐scale level. In this paper, a novel temperature‐dependent multi‐scale model is presented based on the modified boundary Cauchy‐Born (MBCB) technique to model the surface, edge, and corner effects in nano‐scale materials. The Lagrangian finite element formulation is incorporated into the heat transfer analysis to develop the thermo‐mechanical finite element model. The temperature‐related Cauchy‐Born hypothesis is implemented by using the Helmholtz free energy to evaluate the temperature effect in the atomistic level. The thermo‐mechanical multi‐scale model is applied to determine the temperature related characteristics at the nano‐scale level. The first and second derivatives of free energy density are computed using the first Piola‐Kirchhoff stress and tangential stiffness tensor at the macro‐scale level. The concept of MBCB is introduced to capture the surface, edge, and corner effects. The salient point of MBCB model is the definition of radial quadrature used at the surface, edge, and corner elements as an indicator of material behavior. The characteristics of quadrature are derived by interpolating the data from the atomic level laid in a circular support around the quadrature in a least‐square approach. Finally, numerical examples are modeled using the proposed computational algorithm, and the results are compared with the fully atomistic model to illustrate the performance of MBCB multi‐scale model in the thermo‐mechanical analysis of metallic nano‐scale devices. Copyright © 2013 John Wiley & Sons, Ltd.