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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 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.
Die Qualität von Beplankungselementen wirkt sich deutlich auf den Feuerwiderstand von Metallständer-Wandkonstruktionen aus. Daher wurde im Rahmen dieser Arbeit der Einfluss von Zusätzen in Gipsplatten bezüglich einer möglichen Verbesserung dieser Eigenschaft untersucht.
Zu diesem Zweck wurden spezielle, den jeweiligen Untersuchungsbedingungen angepasste Probekörper unter Verwendung verschiedenster Zusätze gefertigt. Die Beurteilung deren Auswirkungen erfolgte insbesondere mittels nachfolgender fünf Kriterien:
1) dem Zeitpunkt der Temperaturerhöhung nach der Probekörperentwässerung,
2) dem Maximalwert der Plattenrückseitentemperatur,
3) der Größe und der Anzahl der Risse,
4) der Plattenstabilität nach der Wärmebeanspruchung,
5) der Verkürzung von prismatischen Probekörpern.
Besonders wichtig war hierbei die Charakterisierung der Auswirkungen einer simulierten Brandbeanspruchung von 970 °C über 90 Minuten auf Labor-Gipsplatten. Dabei wurde die Temperaturänderung auf der Plattenrückseite über den gesamten Prüfzeitraum kontinuierlich erfasst. Die Bewertung des Zusammenhalts der Platten nach der thermischen Beanspruchung erfolgte erstmals quantitativ über Anzahl und Größe der an den Proben entstandenen Risse. Ursächlich für die Rissbildung ist die Verringerung des Probekörpervolumens infolge des ausgetriebenen Kristallwassers. Da dieser Parameter im Plattenversuch nicht bestimmt werden kann, wurde ergänzend das Längenänderungsverhalten von Prismen im Ergebnis einer 90minütigen Temperung bei 1000 °C im Muffelofen ermittelt.
Besonders vorteilhaft hat sich die Zugabe von 80 g/m2 Glasfasern und 7,75 % Kalksteinmehl auf das Verhalten von Gipsplatten bei Brandbeanspruchung ausgewirkt. Diese Verbesserung ist insbesondere auf höhere Stabilität und geringere Schrumpfung der Gipsplatte zurückzuführen.
Basierend auf den im Labormaßstab erhaltenen Ergebnissen wurden Rezepturvorschläge zur Verbesserung des Feuerwiderstandsverhaltens von Gipsplatten unter Praxisbedingungen entwickelt. Die Herstellung der erforderlichen großformatigen Platten erfolgte auf der Bandstraße der Knauf Gips KG. Diese Platten wurden als Wandkonstruktion mit zweilagiger Beplankung einer großtechnischen Prüfung erfolgreich unterzogen. Eine geringere Durchbiegung der Wandkonstruktion, eine verminderte Volumenreduzierung der Platten sowie eine erhöhte Plattenstabilität belegen die verbesserten Eigenschaften dieser modifizierten Feuerschutzplatte.
Weitere durchgeführte Untersuchungen ergaben, dass es unerheblich ist, ob die Platten auf Basis von Natur- oder REA-Gips bzw. mit hohem oder niedrigem Flächengewicht gefertigt wurden. Das eindeutig beste Ergebnis mit einer Feuerwiderstandsdauer von 118 Minuten hat eine Wandkonstruktion aus Feuerschutzplatten auf Basis eines Stuckgipses aus 100 % REA-Gips mit einem Anteil von 83,9 g/m2 Glasfasern und 1 % Vermiculit und einem Flächengewicht von 10,77 kg/m2, bei einer Plattenstärke von 12,5 mm.
Die als Ziel vorgebende Feuerwiderstandsdauer von 120 Minuten bei zweilagiger Beplankung ohne Dämmstoff könnte künftig erreicht werden, wenn es gelingt, die Volumenreduzierung noch besser zu kompensieren und die Plattenstabilität zu steigern. Eine Möglichkeit hierzu ist die Substitution der beidseitigen Kartonlagen durch eine Glasfaser-Vliesummantelung. Die Wandkonstruktion W112 ohne Dämmstoff erreicht dabei eine Feuerwiderstandsdauer von weit über 120 Minuten, wobei der Gipskern mit Glasfasern armiert ist.
Die Arbeit »Anachronismen: Historiografie und Kino« geht von einer zunächst einfachen Beobachtung aus: beinahe immer, wenn Historiker_innen sich mit Geschichtsfilmen auseinander setzen, findet sich die lautstark geführte Beschwerde über die zahlreichen und vermeidbaren Anachronismen der Filme, die sie als ernst zu nehmende historiografische Beiträge desavouieren.
Von hier ausgehend verfolgt die Arbeit ein dreifaches Projekt: zunächst in einer kritischen Analyse geschichtstheoretischer Texte einige Hinweise für den Status von Anachronismen für die moderne westliche Historiografie zu gewinnen. Zweitens zu untersuchen, welche Rolle Anachronismen für den Geschichtsfilm spielen. Und drittens von dort aus das epistemische Potential anachronistischen Geschichtskinos zu untersuchen.
Eine der Hauptthesen, welche den Blick sowohl auf die Filme wie auf die theoretischen Texte leitet, besagt, dass Anachronismen genau jene Punkte sind, an denen die Medien einer jeden Geschichtsschreibung beobachtbar werden. Die Beobachtung und Beschreibung dieser Medien der kinematografischen Geschichtsschreibung unternimmt die Arbeit unter Zuhilfenahme einiger theoretischer Überlegungen der Actor Network Theory (ANT).
Die Arbeit ist in vier Kapitel gegliedert, in deren Zentrum jeweils die Diskussion eines ANT-Begriffs sowie die Analyse eines Geschichtsfilmes steht. Zu den untersuchten Filmen gehören Shutter Island (Martin Scorsese, 2010), Chronik der Anna Magdalena Bach (Jean-Marie Straub/Danièle Huillet, 1968), Cleopatra (Joseph L. Mankiewicz, 1963) und Caravaggio (Derek Jarman, 1986). Die Arbeit kommentiert außerdem theoretische Texte zur Historiografie und zu Anachronismen von Walter Benjamin, Leo Bersani, Georges Didi-Huberman, Siegfried Kracauer, Friedrich Meinecke, Friedrich Nietzsche, Jacques Rancière, Leopold Ranke, Paul Ricœur, Georg Simmel, Hayden White u. a.
Gaze based human-computer-interaction has been a research topic for over a quarter century. Since then, the main scenario for gaze interaction has been helping handicapped people to communicate an interact with their environment. With the rapid development of mobile and wearable display technologies, a new application field for gaze interaction has appeared, opening new research questions.
This thesis investigates the feasibility of mobile gaze based interaction, studying deeply the use of pie menus as a generic and robust widget for gaze interaction as well as visual and perceptual issues on head mounted (wearable) optical see-through displays.
It reviews conventional gaze-based selection methods and investigates in detail the use of pie menus for gaze control. It studies and discusses layout issues, selection methods and applications. Results show that pie menus can allocate up to six items in width and multiple depth layers, allowing a fast and accurate navigation through hierarchical levels by using or combining multiple selection methods. Based on these results, several text entry methods based on pie menus are proposed. Character-by-character text entry, text entry with bigrams and with text entry with bigrams derived by word prediction, as well as possible selection methods, are examined in a longitudinal study. Data showed large advantages of the bigram entry methods over single character text entry in speed and accuracy. Participants preferred the novel selection method based on saccades (selecting by borders) over the conventional and well established dwell time method.
On the one hand, pie menus showed to be a feasible and robust widget, which may enable the efficient use of mobile eye tracking systems that may not be accurate enough for controlling elements on conventional interface. On the other hand, visual perception on mobile displays technologies need to be examined in order to deduce if the mentioned results can be transported to mobile devices.
Optical see-through devices enable observers to see additional information embedded in real environments. There is already some evidence of increasing visual load on the respective systems. We investigated visual performance on participants with a visual search tasks and dual tasks presenting visual stimuli on the optical see-through device, only on a computer screen, and simultaneously on both devices. Results showed that switching between the presentation devices (i.e. perceiving information simultaneously from both devices) produced costs in visual performance. The implications of these costs and of further perceptual and technical factors for mobile gaze-based interaction are discussed and solutions are proposed.
Volumerendering ist eine Darstellungstechnik, um verschiedene räumliche Mess- und Simulationsdaten anschaulich, interaktiv grafisch darzustellen. Im folgenden Beitrag wird ein Verfahren vorgestellt, mehrere Volumendaten mit einem Architekturflächenmodell zu überlagern. Diese komplexe Darstellungsberechnung findet mit hardwarebeschleunigten Shadern auf der Grafikkarte statt. Im Beitrag wird hierzu der implementierte Softwareprototyp "VolumeRendering" vorgestellt. Neben dem interaktiven Berechnungsverfahren wurde ebenso Wert auf eine nutzerfreundliche Bedienung gelegt. Das Ziel bestand darin, eine einfache Bewertung der Volumendaten durch Fachplaner zu ermöglichen. Durch die Überlagerung, z. B. verschiedener Messverfahren mit einem Flächenmodell, ergeben sich Synergien und neue Auswertungsmöglichkeiten. Abschließend wird anhand von Beispielen aus einem interdisziplinären Forschungsprojekt die Anwendung des Softwareprototyps illustriert.
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.
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 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.
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 concept of non-commutative Galois extension is introduced and binary and ternary extensions are chosen. Non-commutative Galois extensions of Nonion algebra and su(3) are constructed. Then ternary and binary Clifford analysis are introduced for non-commutative Galois extensions and the corresponding Dirac operators are associated.
The aim of this study is to show an application of model robustness measures for soilstructure interaction (henceforth written as SSI) models. Model robustness defines a measure for the ability of a model to provide useful model answers for input parameters which typically have a wide range in geotechnical engineering. The calculation of SSI is a major problem in geotechnical engineering. Several different models exist for the estimation of SSI. These can be separated into analytical, semi-analytical and numerical methods. This paper focuses on the numerical models of SSI specific macro-element type models and more advanced finite element method models using contact description as continuum or interface elements. A brief description of the models used is given in the paper. Following this description, the applied SSI problem is introduced. The observed event is a static loaded shallow foundation with an inclined load. The different partial models to consider the SSI effects are assessed using different robustness measures during numerical application. The paper shows the investigation of the capability to use these measures for the assessment of the model quality of SSI partial models. A variance based robustness and a mathematical robustness approaches are applied. These different robustness measures are used in a framework which allows also the investigation of computational time consuming models. Finally the result shows that the concept of using robustness approaches combined with other model–quality indicators (e.g. model sensitivity or model reliability) can lead to unique model–quality assessment for SSI models.
Increasingly powerful hard- and software allows for the numerical simulation of complex physical phenomena with high levels of detail. In light of this development the definition of numerical models for the Finite Element Method (FEM) has become the bottleneck in the simulation process. Characteristic features of the model generation are large manual efforts and a de-coupling of geometric and numerical model. In the highly probable case of design revisions all steps of model preprocessing and mesh generation have to be repeated. This includes the idealization and approximation of a geometric model as well as the definition of boundary conditions and model parameters. Design variants leading to more resource-efficient structures might hence be disregarded due to limited budgets and constrained time frames.
A potential solution to above problem is given with the concept of Isogeometric Analysis (IGA). Core idea of this method is to directly employ a geometric model for numerical simulations, which allows to circumvent model transformations and the accompanying data losses. Basis for this method are geometric models described in terms of Non-uniform rational B-Splines (NURBS). This class of piecewise continuous rational polynomial functions is ubiquitous in computer graphics and Computer-Aided Design (CAD). It allows the description of a wide range of geometries using a compact mathematical representation. The shape of an object thereby results from the interpolation of a set of control points by means of the NURBS functions, allowing efficient representations for curves, surfaces and solid bodies alike. Existing software applications, however, only support the modeling and manipulation of the former two. The description of three-dimensional solid bodies consequently requires significant manual effort, thus essentially forbidding the setup of complex models.
This thesis proposes a procedural approach for the generation of volumetric NURBS models. That is, a model is not described in terms of its data structures but as a sequence of modeling operations applied to a simple initial shape. In a sense this describes the "evolution" of the geometric model under the sequence of operations. In order to adapt this concept to NURBS geometries, only a compact set of commands is necessary which, in turn, can be adapted from existing algorithms. A model then can be treated in terms of interpretable model parameters. This leads to an abstraction from its data structures and model variants can be set up by variation of the governing parameters.
The proposed concept complements existing template modeling approaches: templates can not only be defined in terms of modeling commands but can also serve as input geometry for said operations. Such templates, arranged in a nested hierarchy, provide an elegant model representation. They offer adaptivity on each tier of the model hierarchy and allow to create complex models from only few model parameters. This is demonstrated for volumetric fluid domains used in the simulation of vertical-axis wind turbines. Starting from a template representation of airfoil cross-sections, the complete "negative space" around the rotor blades can be described by a small set of model parameters, and model variants can be set up in a fraction of a second.
NURBS models offer a high geometric flexibility, allowing to represent a given shape in different ways. Different model instances can exhibit varying suitability for numerical analyses. For their assessment, Finite Element mesh quality metrics are regarded. The considered metrics are based on purely geometric criteria and allow to identify model degenerations commonly used to achieve certain geometric features. They can be used to decide upon model adaptions and provide a measure for their efficacy. Unfortunately, they do not reveal a relation between mesh distortion and ill-conditioning of the equation systems resulting from the numerical model.
The Bernstein polynomials are used for important applications in many branches of Mathematics and the other sciences, for instance, approximation theory, probability theory, statistic theory, num- ber theory, the solution of the di¤erential equations, numerical analysis, constructing Bezier curves, q-calculus, operator theory and applications in computer graphics. The Bernstein polynomials are used to construct Bezier curves. Bezier was an engineer with the Renault car company and set out in the early 1960’s to develop a curve formulation which would lend itself to shape design. Engineers may …nd it most understandable to think of Bezier curves in terms of the center of mass of a set of point masses. Therefore, in this paper, we study on generating functions and functional equations for these polynomials. By applying these functions, we investigate interpolation function and many properties of these polynomials.
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.
Radiodiskussion bei bauhaus.fm am 5. November 2012.
Harald S. Liehr ist Lektor und Leiter der Niederlassung Weimar des Böhlau-Verlags (Wien / Köln / Weimar), Dr. Frank Simon-Ritz ist Direktor der Universitätsbibliothek der Bauhaus-Universität Weimar.
Die Fragen stellten René Tauschke und Jean-Marie Schaldach.