Institut für Strukturmechanik (ISM)
Refine
Document Type
- Article (182)
- Conference Proceeding (5)
Institute
Keywords
- Angewandte Mathematik (187) (remove)
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.
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.
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.
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 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.
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 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 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.
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 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.
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.
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.
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.