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PARAMETER IDENTIFICATION OF MESOSCALE MODELS FROM MACROSCOPIC TESTS USING BAYESIAN NEURAL NETWORKS
(2010)
In this paper, a parameter identification procedure using Bayesian neural networks is proposed. Based on a training set of numerical simulations, where the material parameters are simulated in a predefined range using Latin Hypercube sampling, a Bayesian neural network, which has been extended to describe the noise of multiple outputs using a full covariance matrix, is trained to approximate the inverse relation from the experiment (displacements, forces etc.) to the material parameters. The method offers not only the possibility to determine the parameters itself, but also the accuracy of the estimate and the correlation between these parameters. As a result, a set of experiments can be designed to calibrate a numerical model.
A four-node quadrilateral shell element with smoothed membrane-bending based on Mindlin-Reissner theory is proposed. The element is a combination of a plate bending and membrane element. It is based on mixed interpolation where the bending and membrane stiffness matrices are calculated on the boundaries of the smoothing cells while the shear terms are approximated by independent interpolation functions in natural coordinates. The proposed element is robust, computationally inexpensive and free of locking. Since the integration is done on the element boundaries for the bending and membrane terms, the element is more accurate than the MITC4 element for distorted meshes. This will be demonstrated for several numerical examples.
The numerical simulation of microstructure models in 3D requires, due to enormous d.o.f., significant resources of memory as well as parallel computational power. Compared to homogeneous materials, the material hetrogeneity on microscale induced by different material phases demand for adequate computational methods for discretization and solution process of the resulting highly nonlinear problem. To enable an efficient/scalable solution process of the linearized equation systems the heterogeneous FE problem will be described by a FETI-DP (Finite Element Tearing and Interconnecting - Dual Primal) discretization. The fundamental FETI-DP equation can be solved by a number of different approaches. In our approach the FETI-DP problem will be reformulated as Saddle Point system, by eliminating the primal and Lagrangian variables. For the reduced Saddle Point system, only defined by interior and dual variables, special Uzawa algorithms can be adapted for iteratively solving the FETI-DP saddle-point equation system (FETI-DP SPE). A conjugate gradient version of the Uzawa algorithm will be shown as well as some numerical tests regarding to FETI-DP discretization of small examples using the presented solution technique. Furthermore the inversion of the interior-dual Schur complement operator can be approximated using different techniques building an adequate preconditioning matrix and therewith leading to substantial gains in computing time efficiency.
The present article proposes an alternative way to compute the torsional stiffness based on three-dimensional continuum mechanics instead of applying a specific theory of torsion. A thin, representative beam slice is discretized by solid finite elements. Adequate boundary conditions and coupling conditions are integrated into the numerical model to obtain a proper answer on the torsion behaviour, thus on shear center, shear stress and torsional stiffness. This finite element approach only includes general assumptions of beam torsion which are independent of cross-section geometry. These assumptions essentially are: no in-plane deformation, constant torsion and free warping. Thus it is possible to achieve numerical solutions of high accuracy for arbitrary cross-sections. Due to the direct link to three-dimensional continuum mechanics, it is possible to extend the range of torsion analysis to sections which are composed of different materials or even to heterogeneous beams on a high scale of resolution. A brief study follows to validate the implementation and results are compared to analytical solutions.
NUMERICAL SIMULATION OF THERMO-HYGRAL ALKALI-SILICA REACTION MODEL IN CONCRETE AT THE MESOSCALE
(2010)
This research aims to model Alkali-Silica Reaction gel expansion in concrete under the influence of hygral and thermal loading, based on experimental results. ASR provokes a heterogeneous expansion in concrete leading to dimensional changes and eventually the premature failure of the concrete structure. This can result in map cracking on the concrete surface which will decrease the concrete stiffness. Factors that influence ASR are parameters such as the cement alkalinity, the number of deleterious silica from the aggregate used, concrete porosity, and external factors like temperature, humidity and external source of alkali from ingression of deicing salts. Uncertainties of the influential factors make ASR a difficult phenomenon to solve; hence my approach to this matter is to solve the problem using stochastic modelling, where a numerical simulation of concrete cross-section with integration of experimental results from Finger-Institute for Building Materials Science at the Bauhaus-Universität Weimar. The problem is formulated as a multi-field problem, combining heat transfer, fluid transfer and the reaction rate model with the mechanical stress field. Simulation is performed as a mesoscale model considering aggregates and mortar matrix. The reaction rate model will be conducted using experimental results from concrete expansions due to ASR gained from concrete prism tests. Expansive strains values for transient environmental conditions due to the reaction rate will be determined from calculation based on the reaction rate model. Results from these models will be able to predict the rate of ASR expansion and the cracking propagation that may arise.
In nonlinear simulations the loading is, in general, applied in an incremental way. Path-following algorithms are used to trace the equilibrium path during the failure process. Standard displacement controlled solution strategies fail if snap-back phenomena occur. In this contribution, a path-following algorithm based on the dissipation of the inelastic energy is presented which allows for the simulation of snap-backs. Since the constraint is defined in terms of the internal energy, the algorithm is not restricted to continuum damage models. Furthermore, no a priori knowledge about the final damage distribution is required. The performance of the proposed algorithm is illustrated using nonlinear mesoscale simulations.
In the context of finite element model updating using output-only vibration test data, natural frequencies and mode shapes are used as validation criteria. Consequently, the correct pairing of experimentally obtained and numerically derived natural frequencies and mode shapes is important. In many cases, only limited spatial information is available and noise is present in the measurements. Therefore, the automatic selection of the most likely numerical mode shape corresponding to a particular experimentally identified mode shape can be a difficult task. The most common criterion for indicating corresponding mode shapes is the modal assurance criterion. Unfortunately, this criterion fails in certain cases and is not reliable for automatic approaches. In this paper, the purely mathematical modal assurance criterion will be enhanced by additional physical information from the numerical model in terms of modal strain energies. A numerical example and a benchmark study with experimental data are presented to show the advantages of the proposed energy-based criterion in comparison to the traditional modal assurance criterion.
In the context of finite element model updating using vibration test data, natural frequencies and mode shapes are used as validation criteria. Consequently, the order of natural frequencies and mode shapes is important. As only limited spatial information is available and noise is present in the measurements, the automatic selection of the most likely numerical mode shape corresponding to a measured mode shape is a difficult task. The most common criterion to indicate corresponding mode shapes is the modal assurance criterion. Unfortunately, this criterion fails in certain cases. In this paper, the pure mathematical modal assurance criterion will be enhanced by additional physical information of the numerical model in terms of modal strain energies. A numerical example and a benchmark study with real measured data are presented to show the advantages of the enhanced energy based criterion in comparison to the traditional modal assurance criterion.
We present an extended finite element formulation for dynamic fracture of piezo-electric materials. The method is developed in the context of linear elastic fracture mechanics. It is applied to mode I and mixed mode-fracture for quasi-steady cracks. An implicit time integration scheme is exploited. The results are compared to results obtained with the boundary element method and show excellent agreement.
This work describes an algorithm and corresponding software for incorporating general nonlinear multiple-point equality constraints in a implicit sparse direct solver. It is shown that direct addressing of sparse matrices is possible in general circumstances, circumventing the traditional linear or binary search for introducing (generalized) constituents to a sparse matrix. Nested and arbitrarily interconnected multiple-point constraints are introduced by processing of multiplicative constituents with a built-in topological ordering of the resulting directed graph. A classification of discretization methods is performed and some re-classified problems are described and solved under this proposed perspective. The dependence relations between solution methods, algorithms and constituents becomes apparent. Fracture algorithms can be naturally casted in this framework. Solutions based on control equations are also directly incorporated as equality constraints. We show that arbitrary constituents can be used as long as the resulting directed graph is acyclic. It is also shown that graph partitions and orderings should be performed in the innermost part of the algorithm, a fact with some peculiar consequences. The core of our implicit code is described, specifically new algorithms for direct access of sparse matrices (by means of the clique structure) and general constituent processing. It is demonstrated that the graph structure of the second derivatives of the equality constraints are cliques (or pseudo-elements) and are naturally included as such. A complete algorithm is presented which allows a complete automation of equality constraints, avoiding the need of pre-sorting. Verification applications in four distinct areas are shown: single and multiple rigid body dynamics, solution control and computational fracture.
The lattice dynamics properties are investigated for twisting bilayer graphene. There are big jumps for the inter-layer potential at twisting angle θ=0° and 60°, implying the stability of Bernal-stacking and the instability of AA-stacking structures, while a long platform in [8,55]° indicates the ease of twisting bilayer graphene in this wide angle range. Significant frequency shifts are observed for the z breathing mode around θ=0° and 60°, while the frequency is a constant in a wide range [8,55]°. Using the z breathing mode, a mechanical nanoresonator is proposed to operate on a robust resonant frequency in terahertz range.
The upper limit of the thermal conductivity and the mechanical strength are predicted for the polyethylene chain, by performing the ab initio calculation and applying the quantum mechanical non-equilibrium Green’s function approach. Specially, there are two main findings from our calculation: (1) the thermal conductivity can reach a high value of 310 Wm−1 K−1 in a 100 nm polyethylene chain at room temperature and the thermal conductivity increases with the length of the chain; (2) the Young’s modulus in the polyethylene chain is as high as 374.5 GPa, and the polyethylene chain can sustain 32.85%±0.05% (ultimate) strain before undergoing structural phase transition into gaseous ethylene.
This paper presents a strain smoothing procedure for the extended finite element method (XFEM). The resulting “edge-based” smoothed extended finite element method (ESm-XFEM) is tailored to linear elastic fracture mechanics and, in this context, to outperform the standard XFEM. In the XFEM, the displacement-based approximation is enriched by the Heaviside and asymptotic crack tip functions using the framework of partition of unity. This eliminates the need for the mesh alignment with the crack and re-meshing, as the crack evolves. Edge-based smoothing (ES) relies on a generalized smoothing operation over smoothing domains associated with edges of simplex meshes, and produces a softening effect leading to a close-to-exact stiffness, “super-convergence” and “ultra-accurate” solutions. The present method takes advantage of both the ES-FEM and the XFEM. Thanks to the use of strain smoothing, the subdivision of elements intersected by discontinuities and of integrating the (singular) derivatives of the approximation functions is suppressed via transforming interior integration into boundary integration. Numerical examples show that the proposed method improves significantly the accuracy of stress intensity factors and achieves a near optimal convergence rate in the energy norm even without geometrical enrichment or blending correction.
The concept of isogeometric analysis, where functions that are used to describe geometry in CAD software are used to approximate the unknown fields in numerical simulations, has received great attention in recent years. The method has the potential to have profound impact on engineering design, since the task of meshing, which in some cases can add significant overhead, has been circumvented. Much of the research effort has been focused on finite element implementations of the isogeometric concept, but at present, little has been seen on the application to the Boundary Element Method. The current paper proposes an Isogeometric Boundary Element Method (BEM), which we term IGABEM, applied to two-dimensional elastostatic problems using Non-Uniform Rational B-Splines (NURBS). We find it is a natural fit with the isogeometric concept since both the NURBS approximation and BEM deal with quantities entirely on the boundary. The method is verified against analytical solutions where it is seen that superior accuracies are achieved over a conventional quadratic isoparametric BEM implementation.
This paper presents a novel numerical procedure based on the framework of isogeometric analysis for static, free vibration, and buckling analysis of laminated composite plates using the first-order shear deformation theory. The isogeometric approach utilizes non-uniform rational B-splines to implement for the quadratic, cubic, and quartic elements. Shear locking problem still exists in the stiffness formulation, and hence, it can be significantly alleviated by a stabilization technique. Several numerical examples are presented to show the performance of the method, and the results obtained are compared with other available ones.
This paper presents a novel numerical procedure for computing limit and shakedown loads of structures using a node-based smoothed FEM in combination with a primal–dual algorithm. An associated primal–dual form based on the von Mises yield criterion is adopted. The primal-dual algorithm together with a Newton-like iteration are then used to solve this associated primal–dual form to determine simultaneously both approximate upper and quasi-lower bounds of the plastic collapse limit and the shakedown limit. The present formulation uses only linear approximations and its implementation into finite element programs is quite simple. Several numerical examples are given to show the reliability, accuracy, and generality of the present formulation compared with other available methods.
An analytical molecular mechanics model for the elastic properties of crystalline polyethylene
(2012)
We present an analytical model to relate the elastic properties of crystalline polyethylene based on a molecular mechanics approach. Along the polymer chains direction, the united-atom (UA) CH2-CH2 bond stretching, angle bending potentials are replaced with equivalent Euler-Bernoulli beams. Between any two polymer chains, the explicit formulae are derived for the van der Waals interaction represented by the linear springs of different stiffness. Then, the nine independent elastic constants are evaluated systematically using the formulae. The analytical model is finally validated by present united-atom molecular dynamics (MD) simulations and against available all-atom molecular dynamics results in the literature. The established analytical model provides an efficient route for mechanical characterization of crystalline polymers and related materials.
A simple multiscale analysis framework for heterogeneous solids based on a computational homogenization technique is presented. The macroscopic strain is linked kinematically to the boundary displacement of a circular or spherical representative volume which contains the microscopic information of the material. The macroscopic stress is obtained from the energy principle between the macroscopic scale and the microscopic scale. This new method is applied to several standard examples to show its accuracy and consistency of the method proposed.
A phantom-node method is developed for three-node shell elements to describe cracks. This method can treat arbitrary cracks independently of the mesh. The crack may cut elements completely or partially. Elements are overlapped on the position of the crack, and they are partially integrated to implement the discontinuous displacement across the crack. To consider the element containing a crack tip, a new kinematical relation between the overlapped elements is developed. There is no enrichment function for the discontinuous displacement field. Several numerical examples are presented to illustrate the proposed method.
In this paper, wavelet energy damage indicator is used in response surface methodology to identify the damage in simulated filler beam railway bridge. The approximate model is addressed to include the operational and surrounding condition in the assessment. The procedure is split into two stages, the training and detecting phase. During training phase, a so-called response surface is built from training data using polynomial regression and radial basis function approximation approaches. The response surface is used to detect the damage in structure during detection phase. The results show that the response surface model is able to detect moderate damage in one of bridge supports while the temperatures and train velocities are varied.
Meshfree methods (MMs) such as the element free Galerkin (EFG)method have gained popularity because of some advantages over other numerical methods such as the finite element method (FEM). A group of problems that have attracted a great deal of attention from the EFG method community includes the treatment of large deformations and dealing with strong discontinuities such as cracks. One efficient solution to model cracks is adding special enrichment functions to the standard shape functions such as extended FEM, within the FEM context, and the cracking particles method, based on EFG method. It is well known that explicit time integration in dynamic applications is conditionally stable. Furthermore, in enriched methods, the critical time step may tend to very small values leading to computationally expensive simulations. In this work, we study the stability of enriched MMs and propose two mass-lumping strategies. Then we show that the critical time step for enriched MMs based on lumped mass matrices is of the same order as the critical time step of MMs without enrichment. Moreover, we show that, in contrast to extended FEM, even with a consistent mass matrix, the critical time step does not vanish even when the crack directly crosses a node.