Refine
Document Type
- Article (137)
- Conference Proceeding (2)
Institute
Keywords
- Angewandte Mathematik (119)
- Strukturmechanik (117)
- Stochastik (17)
- Finite-Elemente-Methode (4)
- Wärmeleitfähigkeit (4)
- Angewandte Informatik (2)
- Biodiesel (2)
- Bruchmechanik (2)
- Computerunterstütztes Verfahren (2)
- Elastizität (2)
- Fehlerabschätzung (2)
- Maschinelles Lernen (2)
- Modellierung (2)
- OA-Publikationsfonds2018 (2)
- Optimierung (2)
- Transfer learning (2)
- ANN modeling (1)
- Activation function (1)
- Architektur <Informatik> (1)
- Artificial Intelligence (1)
- Batterie (1)
- Bornitrid (1)
- Chirurgie (1)
- Collocation method (1)
- Computer Science Models in Engineering; Multiscale and Multiphysical Models; Scientific Computing (1)
- Computersimulation (1)
- Deep Learning (1)
- Deep learning (1)
- Domain Adaptation (1)
- Druckluft (1)
- Energiespeicherung (1)
- Feststoff (1)
- Graphen (1)
- Graphene (1)
- Kaverne (1)
- Kollokationsmethode (1)
- MDLSM method (1)
- Mathematische Modellierung (1)
- Mechanische Eigenschaft (1)
- MoS2 (1)
- Molekülstruktur (1)
- Multi-objective Evolutionary Optimization, Elitist Non- Dominated Sorting Evolution Strategy (ENSES), Sandwich Structure, Pareto-Optimal Solutions, Evolutionary Algorithm (1)
- NURBS (1)
- NURBS geometry (1)
- Nanomechanik (1)
- Nanopore (1)
- Nanoporöser Stoff (1)
- Nanoribbons, thermal conductivity (1)
- Navier–Stokes equations (1)
- Neuronales Lernen (1)
- Peridynamik (1)
- Physikalische Eigenschaft (1)
- Potential problem (1)
- Riss (1)
- Schubspannung (1)
- Stahlbau (1)
- Steifigkeit (1)
- Werkstoff (1)
- Wärmeübergang (1)
- biodiesel (1)
- computational modeling (1)
- deep learning (1)
- diesel engines (1)
- energy form (1)
- energy, exergy (1)
- explicit time integration (1)
- extreme learning machine (1)
- functionally graded materials (1)
- heat transfer (1)
- machine learning (1)
- mathematical modeling (1)
- molecular dynamics (1)
- nanoreinforced composites (1)
- neural architecture search (1)
- nonlocal theory (1)
- peridynamics (1)
- physics-informed activation function (1)
- randomized spectral representation (1)
- response surface methodology (1)
- support vector machine (1)
- variational principle (1)
- weak form (1)
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.
Safety operation of important civil structures such as bridges can be estimated by using fracture analysis. Since the analytical methods are not capable of solving many complicated engineering problems, numerical methods have been increasingly adopted. In this paper, a part of isotropic material which contains a crack is considered as a partial model and the proposed model quality is evaluated. EXtended IsoGeometric Analysis (XIGA) is a new developed numerical approach [1, 2] which benefits from advantages of its origins: eXtended Finite Element Method (XFEM) and IsoGeometric Analysis (IGA). It is capable of simulating crack propagation problems with no remeshing necessity and capturing singular field at the crack tip by using the crack tip enrichment functions. Also, exact representation of geometry is possible using only few elements. XIGA has also been successfully applied for fracture analysis of cracked orthotropic bodies [3] and for simulation of curved cracks [4]. XIGA applies NURBS functions for both geometry description and solution field approximation. The drawback of NURBS functions is that local refinement cannot be defined regarding that it is based on tensorproduct constructs unless multiple patches are used which has also some limitations. In this contribution, the XIGA is further developed to make the local refinement feasible by using Tspline basis functions. Adopting a recovery based error estimator in the proposed approach for evaluation of the model quality and performing the adaptive processes is in progress. Finally, some numerical examples with available analytical solutions are investigated by the developed scheme.
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.
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.
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.
The point collocation method of finite spheres (PCMFS) is used to model the hyperelastic response of soft biological tissue in real time within the framework of virtual surgery simulation. The proper orthogonal decomposition (POD) model order reduction (MOR) technique was used to achieve reduced-order model of the problem, minimizing computational cost. The PCMFS is a physics-based meshfree numerical technique for real-time simulation of surgical procedures where the approximation functions are applied directly on the strong form of the boundary value problem without the need for integration, increasing computational efficiency. Since computational speed has a significant role in simulation of surgical procedures, the proposed technique was able to model realistic nonlinear behavior of organs in real time. Numerical results are shown to demonstrate the effectiveness of the new methodology through a comparison between full and reduced analyses for several nonlinear problems. It is shown that the proposed technique was able to achieve good agreement with the full model; moreover, the computational and data storage costs were significantly reduced.
We perform both classical molecular dynamics simulations and beam model calculations to investigate the Young's modulus of kinked silicon nanowires (KSiNWs). The Young's modulus is found to be highly sensitive to the arm length of the kink and is essentially inversely proportional to the arm length. The mechanism underlying the size dependence is found to be the interplay between the kink angle potential and the arm length potential, where we obtain an analytic relationship between the Young's modulus and the arm length of the KSiNW. Our results provide insight into the application of this novel building block in nanomechanical devices.
We investigate the thermal conductivity in the armchair and zigzag MoS2 nanoribbons, by combining the non-equilibrium Green's function approach and the first-principles method. A strong orientation dependence is observed in the thermal conductivity. Particularly, the thermal conductivity for the armchair MoS2 nanoribbon is about 673.6 Wm−1 K−1 in the armchair nanoribbon, and 841.1 Wm−1 K−1 in the zigzag nanoribbon at room temperature. By calculating the Caroli transmission, we disclose the underlying mechanism for this strong orientation dependence to be the fewer phonon transport channels in the armchair MoS2 nanoribbon in the frequency range of [150, 200] cm−1. Through the scaling of the phonon dispersion, we further illustrate that the thermal conductivity calculated for the MoS2 nanoribbon is esentially in consistent with the superior thermal conductivity found for graphene.
This paper presents a novel numerical procedure based on the combination of an edge-based smoothed finite element (ES-FEM) with a phantom-node method for 2D linear elastic fracture mechanics. In the standard phantom-node method, the cracks are formulated by adding phantom nodes, and the cracked element is replaced by two new superimposed elements. This approach is quite simple to implement into existing explicit finite element programs. The shape functions associated with discontinuous elements are similar to those of the standard finite elements, which leads to certain simplification with implementing in the existing codes. The phantom-node method allows modeling discontinuities at an arbitrary location in the mesh. The ES-FEM model owns a close-to-exact stiffness that is much softer than lower-order finite element methods (FEM). Taking advantage of both the ES-FEM and the phantom-node method, we introduce an edge-based strain smoothing technique for the phantom-node method. Numerical results show that the proposed method achieves high accuracy compared with the extended finite element method (XFEM) and other reference solutions.
This paper presents several aspects of characterization of welding heat source parameters in Goldak’s double ellipsoidal model using Sysweld simulation of welding of two overlapping beads on a substrate steel plate. The overlap percentages ranged from 40% to 80% in increments of 10%. The new material properties of the fused metal were characterized using Weldware and their continuous cooling transformation curves. The convective and radiative heat transfer coefficients as well as the cooling time t8/5 were estimated using numerical formulations from relevant standards. The effects of the simulation geometry and mesh discretization were evaluated in terms of the factor F provided in Sysweld. Eventually, the parameters of Goldak’s double ellipsoidal heat source model were determined for the welding simulation of overlapping beads on the plate and the simulated bead geometry, extent of the molten pool and the HAZ were compared with the macrographs of cross-sections of the experimental weldments. The results showed excellent matching, thus verifying this methodology for determination of welding heat source parameters.
Explicit solutions for the cohesive energy between carbon nanotubes, graphene and substrates are obtained through continuum modeling of the van der Waals interaction between them. The dependence of the cohesive energy on their size, spacing and crossing angles is analyzed. Checking against full atom molecular dynamics calculations and available experimental results shows that the continuum solution has high accuracy. The equilibrium distances between the nanotubes, graphene and substrates with minimum cohesive energy are also provided explicitly. The obtained analytical solution should be of great help for understanding the interaction between the nanostructures and substrates, and designing composites and nanoelectromechanical systems.
A coupled thermo-hydro-mechanical model of jointed hard rock for compressed air energy storage
(2014)
Renewable energy resources such as wind and solar are intermittent, which causes instability when being connected to utility grid of electricity. Compressed air energy storage (CAES) provides an economic and technical viable solution to this problem by utilizing subsurface rock cavern to store the electricity generated by renewable energy in the form of compressed air. Though CAES has been used for over three decades, it is only restricted to salt rock or aquifers for air tightness reason. In this paper, the technical feasibility of utilizing hard rock for CAES is investigated by using a coupled thermo-hydro-mechanical (THM) modelling of nonisothermal gas flow. Governing equations are derived from the rules of energy balance, mass balance, and static equilibrium. Cyclic volumetric mass source and heat source models are applied to simulate the gas injection and production. Evaluation is carried out for intact rock and rock with discrete crack, respectively. In both cases, the heat and pressure losses using air mass control and supplementary air injection are compared.
The node moving and multistage node enrichment adaptive refinement procedures are extended in mixed discrete least squares meshless (MDLSM) method for efficient analysis of elasticity problems. In the formulation of MDLSM method, mixed formulation is accepted to avoid second-order differentiation of shape functions and to obtain displacements and stresses simultaneously. In the refinement procedures, a robust error estimator based on the value of the least square residuals functional of the governing differential equations and its boundaries at nodal points is used which is inherently available from the MDLSM formulation and can efficiently identify the zones with higher numerical errors. The results are compared with the refinement procedures in the irreducible formulation of discrete least squares meshless (DLSM) method and show the accuracy and efficiency of the proposed procedures. Also, the comparison of the error norms and convergence rate show the fidelity of the proposed adaptive refinement procedures in the MDLSM method.
This paper extends further the strain smoothing technique in finite elements to 8-noded hexahedral elements (CS-FEM-H8). The idea behind the present method is similar to the cell-based smoothed 4-noded quadrilateral finite elements (CS-FEM-Q4). In CSFEM, the smoothing domains are created based on elements, and each element can be further subdivided into 1 or several smoothing cells. It is observed that: 1) The CS-FEM using a single smoothing cell can produce higher stress accuracy, but insufficient rank and poor displacement accuracy; 2) The CS-FEM using several smoothing cells has proper rank, good displacement accuracy, but lower stress accuracy, especially for nearly incompressible and bending dominant problems. We therefore propose 1) an extension of strain smoothing to 8-noded hexahedral elements and 2) an alternative CS-FEM form, which associates the single smoothing cell issue with multi-smoothing cell one via a stabilization technique. Several numerical examples are provided to show the reliability and accuracy of the present formulation.
This paper proposes an adaptive atomistic- continuum numerical method for quasi-static crack growth. The phantom node method is used to model the crack in the continuum region and a molecular statics model is used near the crack tip. To ensure self-consistency in the bulk, a virtual atom cluster is used to model the material of the coarse scale. The coupling between the coarse scale and fine scale is realized through ghost atoms. The ghost atom positions are interpolated from the coarse scale solution and enforced as boundary conditions on the fine scale. The fine scale region is adaptively enlarged as the crack propagates and the region behind the crack tip is adaptively coarsened. An energy criterion is used to detect the crack tip location. The triangular lattice in the fine scale region corresponds to the lattice structure of the (111) plane of an FCC crystal. The Lennard-Jones potential is used to model the atom–atom interactions. The method is implemented in two dimensions. The results are compared to pure atomistic simulations; they show excellent agreement.
The distinguishing structural feature of single-layered black phosphorus is its puckered structure, which leads to many novel physical properties. In this work, we first present a new parameterization of the Stillinger–Weber potential for single-layered black phosphorus. In doing so, we reveal the importance of a cross-pucker interaction term in capturing its unique mechanical properties, such as a negative Poisson's ratio. In particular, we show that the cross-pucker interaction enables the pucker to act as a re-entrant hinge, which expands in the lateral direction when it is stretched in the longitudinal direction. As a consequence, single-layered black phosphorus has a negative Poisson's ratio in the direction perpendicular to the atomic plane. As an additional demonstration of the impact of the cross-pucker interaction, we show that it is also the key factor that enables capturing the edge stress-induced bending of single-layered black phosphorus that has been reported in ab initio calculations.