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#### Year of publication

- 2012 (105) (remove)

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.

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.

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.

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.

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 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.

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.

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.

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 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.

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.

The laser beam is a small, flexible and fast polishing tool. With laser radiation it is possible to finish many outlines or geometries on quartz glass surfaces in the shortest possible time. It’s a fact that the temperature developing while polishing determines the reachable surface smoothing and, as a negative result, causes material tensions. To find out which parameters are important for the laser polishing process and the surface roughness respectively and to estimate material tensions, temperature simulations and extensive polishing experiments took place. During these experiments starting and machining parameters were changed and temperatures were measured contact-free. The accuracy of thermal and mechanical simulation was improved in the case of advanced FE-analysis.

Different types of data provide different type of information. The present research analyzes the error on prediction obtained under different data type availability for calibration. The contribution of different measurement types to model calibration and prognosis are evaluated. A coupled 2D hydro-mechanical model of a water retaining dam is taken as an example. Here, the mean effective stress in the porous skeleton is reduced due to an increase in pore water pressure under drawdown conditions. Relevant model parameters are identified by scaled sensitivities. Then, Particle Swarm Optimization is applied to determine the optimal parameter values and finally, the error in prognosis is determined. We compare the predictions of the optimized models with results from a forward run of the reference model to obtain the actual prediction errors. The analyses presented here were performed calibrating the hydro-mechanical model to 31 data sets of 100 observations of varying data types. The prognosis results improve when using diversified information for calibration. However, when using several types of information, the number of observations has to be increased to be able to cover a representative part of the model domain. For an analysis with constant number of observations, a compromise between data type availability and domain coverage proves to be the best solution. Which type of calibration information contributes to the best prognoses could not be determined in advance. The error in model prognosis does not depend on the error in calibration, but on the parameter error, which unfortunately cannot be determined in inverse problems since we do not know its real value. The best prognoses were obtained independent of calibration fit. However, excellent calibration fits led to an increase in prognosis error variation. In the case of excellent fits; parameters' values came near the limits of reasonable physical values more often. To improve the prognoses reliability, the expected value of the parameters should be considered as prior information on the optimization algorithm.

The analysis of the response of complex structural systems requires the description of the material constitutive relations by means of an appropriate material model. The level of abstraction of such model may strongly affect the quality of the prognosis of the whole structure. In context to this fact, it is necessary to describe the material in a convenient sense as exact but as simple as possible. All material phenomena of crystalline materials e.g. steel, affecting the behavior of the structure, rely on physical effects which are interacting over spatial scales from subatomic to macroscopic range. Nevertheless, if the material is microscopically heterogenic, it might be appropriate to use phenomenological models for the purpose of civil engineering. Although constantly applied, these models are insufficient for steel materials with microscopic characteristics such as texture, typically occurring in hot rolled steel members or heat affected zones of welded joints. Hence, texture is manifested in crystalline materials as a regular crystallographic structure and crystallite orientation, influencing macroscopic material properties. The analysis of structural response of material with texture (e.g. rolled steel or heat affected zone of a welded joint) obliges the extension of the phenomenological material description of macroscopic scale by means of microscopic information. This paper introduces an enrichment approach for material models based on a hierarchical multiscale methodology. This has been done by describing the grain texture on a mesoscopic scale and coupling it with macroscopic constitutive relations by means of homogenization. Due to a variety of available homogenization methods, the question of an assessment of coupling quality arises. The applicability of the method and the effect of the coupling method on the reliability of the response are presented on an example.

DISCRETE CRACK MODEL OF BORCZ FOR CALCULATING THE DEFLECTIONS OF BENDING REINFORCED CONCRETE BEAM
(2012)

In the design of the reinforced concrete beams loaded by the bending moment, it is assumed that the structure can be used at a level of load, that there are local discontinuities - cracks. Designing the element demands checking two limit states of construction, load capacity and usability. Limit states usability include also the deflection of the element. Deflections in the reinforced concrete beams with cracks are based on actual rigidity of the element. After cracking there is a local change in rigidity of the beam. The rigidity is variable in the element’s length and due to the heterogeneous structure of concrete, it is not possible to clearly describe those changes. Most standards of testing methods tend to simplify the calculations and take the average value of the beam’s rigidity on its entire length. The rigidity depends on the level of the maximal load of the beam. Experimental researches verify the value by inserting the coefficients into the formulas used in the theory of elasticity. The researches describe the changes in rigidity in the beam’s length more precisely. The authors take into consideration the change of rigidity, depending on the level of maximum load (continuum models), or localize the changes in rigidity in the area of the cracks (discrete models). This paper presents one of the discrete models. It is distinguished by the fact that the left side of the differential equation, that depends on the rigidity, is constant, and all effects associated with the scratches are taken as the external load and placed on the right side of the equation. This allows to generalize the description. The paper presents a particular integral of the differential equation, which allow analyzing the displacement and vibration for different rigidity of the silo’s walls, the flow rate and type of the flowing material.

MODEL DESCRIBING STATIC AND DYNAMIC DISPLACEMENTS OF SILOS WALL DURING THE FLOW OF LOOSE MATERIAL
(2012)

Correct evaluation of wall displacements is a key matter when designing silos. This issue is important from both the standpoint of design engineer (load-bearing capacity of structures) and end-consumer (durability of structures). Commonplace methods of silo design mainly focus on satisfying limit states of load-bearing capacity. Current standards fail to specify methods of dynamic displacements analysis. Measurements of stressacting on silo walls prove that the actual stress is sum of static and dynamic stresses. Janssen came up with differential equation describing state of static equilibrium in cross-section of a silo. By solving the equation static stress of granular solid on silo walls can be determined. Equations of motion were determined from equilibrium equations of feature objects. General solution, describing dynamic stresses was presented as parametric model. This paper presents particular integrals of differential equation, which enable analysing displacements and vibrations for different rigidities of silo walls, types of granular solid and its flow rate.