@article{GuoAlajlanZhuangetal., author = {Guo, Hongwei and Alajlan, Naif and Zhuang, Xiaoying and Rabczuk, Timon}, title = {Physics-informed deep learning for three-dimensional transient heat transfer analysis of functionally graded materials}, series = {Computational Mechanics}, volume = {2023}, journal = {Computational Mechanics}, publisher = {Springer}, address = {Berlin}, doi = {10.1007/s00466-023-02287-x}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20230517-63666}, pages = {1 -- 12}, abstract = {We present a physics-informed deep learning model for the transient heat transfer analysis of three-dimensional functionally graded materials (FGMs) employing a Runge-Kutta discrete time scheme. Firstly, the governing equation, associated boundary conditions and the initial condition for transient heat transfer analysis of FGMs with exponential material variations are presented. Then, the deep collocation method with the Runge-Kutta integration scheme for transient analysis is introduced. The prior physics that helps to generalize the physics-informed deep learning model is introduced by constraining the temperature variable with discrete time schemes and initial/boundary conditions. Further the fitted activation functions suitable for dynamic analysis are presented. Finally, we validate our approach through several numerical examples on FGMs with irregular shapes and a variety of boundary conditions. From numerical experiments, the predicted results with PIDL demonstrate well agreement with analytical solutions and other numerical methods in predicting of both temperature and flux distributions and can be adaptive to transient analysis of FGMs with different shapes, which can be the promising surrogate model in transient dynamic analysis.}, subject = {W{\"a}rme{\"u}bergang}, language = {en} } @inproceedings{KieselEngelsVoelker, author = {Kiesel, Gerd and Engels, Merit and V{\"o}lker, Conrad}, title = {Energetische Transformation im l{\"a}ndlichen Raum - Aufbau eines prozessorientierten Entwicklungs- und Moderationsmodells}, series = {Schriftenreihe des Fachgebiets Bauphysik/Energetische Geb{\"a}udeoptimierung}, booktitle = {Schriftenreihe des Fachgebiets Bauphysik/Energetische Geb{\"a}udeoptimierung}, editor = {Kornadt, Oliver and Carrigan, Svenja and Hofmann, Markus and V{\"o}lker, Conrad}, publisher = {Eigenverlag Technische Universit{\"a}t Kaiserslautern}, address = {Kaiserslautern}, isbn = {978-3-95974-176-7}, issn = {2363-8206}, doi = {10.25643/bauhaus-universitaet.4656}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20220617-46566}, pages = {3}, abstract = {Kleine Kommunen im l{\"a}ndlichen Raum sind aufgrund ihrer oft eingeschr{\"a}nkten personellen und finanziellen Kapazit{\"a}ten bisher eher sporadisch in den Themenfeldern Energieeffizienz und Erneuerbare Energien aktiv. Immer wieder stellt sich daher Frage, wie die Klimaschutzstrategien des Bundes und der L{\"a}nder dort mit dem verf{\"u}gbaren Personal kosteng{\"u}nstig realisierbar sind. Vor diesem Hintergrund wird ein Werkzeug entwickelt, mit dessen Hilfe der aktive Einstieg in diese Thematik mit geringen Aufwand und {\"u}berwiegend barrierefrei m{\"o}glich ist. Der Aufbau eines prozessorientierten Entwicklungs- und Moderationsmodells zur Erprobung und Umsetzung bezahlbarer Handlungsoptionen f{\"u}r Energieeinsparungen und effizienten Energieeinsatz im {\"u}berwiegend l{\"a}ndlichen gepr{\"a}gten Raum ist der Schwerpunkt der Softwarel{\"o}sung. Kommunen werden mit deren Hilfe in die Lage versetzt, in die notwendigen Prozesse der Energie- und W{\"a}rmewende einzusteigen. Dabei soll der modulare Aufbau die regul{\"a}ren Schritte notwendiger (integrierter) Planungsprozesse nicht vollst{\"a}ndig ersetzen. Vielmehr k{\"o}nnen innerhalb der Online-Anwendung - {\"u}berwiegend automatisiert - konkrete Maßnahmenvorschl{\"a}ge erstellt werden, die ein solides Fundament der k{\"u}nftigen energetischen Entwicklung der Kommunen darstellen. F{\"u}r eine gezielte Validierung der Ergebnisse und der Ableitung potentieller Maßnahmen werden f{\"u}r die Erprobung Modellkommunen in Th{\"u}ringen, Bayern und Hessen als Reallabore einbezogen. Das Tool steht bisher zun{\"a}chst nur den beteiligten Modellkommunen zur Verf{\"u}gung. Die entwickelte Softwarel{\"o}sung soll k{\"u}nftig Schritt f{\"u}r Schritt allen interessierten Kommunen mit diversen Hilfsmitteln und einer Vielzahl anderer praktischer Bestandteile zur Verf{\"u}gung gestellt werden.}, subject = {Modellierung}, language = {de} } @article{Legatiuk, author = {Legatiuk, Dmitrii}, title = {Mathematical Modelling by Help of Category Theory: Models and Relations between Them}, series = {mathematics}, volume = {2021}, journal = {mathematics}, number = {volume 9, issue 16, article 1946}, publisher = {MDPI}, address = {Basel}, doi = {10.3390/math9161946}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20210817-44844}, pages = {17}, abstract = {The growing complexity of modern practical problems puts high demand on mathematical modelling. Given that various models can be used for modelling one physical phenomenon, the role of model comparison and model choice is becoming particularly important. Methods for model comparison and model choice typically used in practical applications nowadays are computationbased, and thus time consuming and computationally costly. Therefore, it is necessary to develop other approaches to working abstractly, i.e., without computations, with mathematical models. An abstract description of mathematical models can be achieved by the help of abstract mathematics, implying formalisation of models and relations between them. In this paper, a category theory-based approach to mathematical modelling is proposed. In this way, mathematical models are formalised in the language of categories, relations between the models are formally defined and several practically relevant properties are introduced on the level of categories. Finally, an illustrative example is presented, underlying how the category-theory based approach can be used in practice. Further, all constructions presented in this paper are also discussed from a modelling point of view by making explicit the link to concrete modelling scenarios.}, subject = {Kategorientheorie}, language = {en} } @article{LegatiukWeiszPatrault, author = {Legatiuk, Dmitrii and Weisz-Patrault, Daniel}, title = {Coupling of Complex Function Theory and Finite Element Method for Crack Propagation Through Energetic Formulation: Conformal Mapping Approach and Reduction to a Riemann-Hilbert Problem}, series = {Computational Methods and Function Theory}, volume = {2021}, journal = {Computational Methods and Function Theory}, publisher = {Springer}, address = {Heidelberg}, doi = {10.1007/s40315-021-00403-7}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20210805-44763}, pages = {1 -- 23}, abstract = {In this paper we present a theoretical background for a coupled analytical-numerical approach to model a crack propagation process in two-dimensional bounded domains. The goal of the coupled analytical-numerical approach is to obtain the correct solution behaviour near the crack tip by help of the analytical solution constructed by using tools of complex function theory and couple it continuously with the finite element solution in the region far from the singularity. In this way, crack propagation could be modelled without using remeshing. Possible directions of crack growth can be calculated through the minimization of the total energy composed of the potential energy and the dissipated energy based on the energy release rate. Within this setting, an analytical solution of a mixed boundary value problem based on complex analysis and conformal mapping techniques is presented in a circular region containing an arbitrary crack path. More precisely, the linear elastic problem is transformed into a Riemann-Hilbert problem in the unit disk for holomorphic functions. Utilising advantages of the analytical solution in the region near the crack tip, the total energy could be evaluated within short computation times for various crack kink angles and lengths leading to a potentially efficient way of computing the minimization procedure. To this end, the paper presents a general strategy of the new coupled approach for crack propagation modelling. Additionally, we also discuss obstacles in the way of practical realisation of this strategy.}, subject = {Angewandte Mathematik}, language = {en} } @phdthesis{Chan, author = {Chan, Chiu Ling}, title = {Smooth representation of thin shells and volume structures for isogeometric analysis}, doi = {10.25643/bauhaus-universitaet.4208}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20200812-42083}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {162}, abstract = {The purpose of this study is to develop self-contained methods for obtaining smooth meshes which are compatible with isogeometric analysis (IGA). The study contains three main parts. We start by developing a better understanding of shapes and splines through the study of an image-related problem. Then we proceed towards obtaining smooth volumetric meshes of the given voxel-based images. Finally, we treat the smoothness issue on the multi-patch domains with C1 coupling. Following are the highlights of each part. First, we present a B-spline convolution method for boundary representation of voxel-based images. We adopt the filtering technique to compute the B-spline coefficients and gradients of the images effectively. We then implement the B-spline convolution for developing a non-rigid images registration method. The proposed method is in some sense of "isoparametric", for which all the computation is done within the B-splines framework. Particularly, updating the images by using B-spline composition promote smooth transformation map between the images. We show the possible medical applications of our method by applying it for registration of brain images. Secondly, we develop a self-contained volumetric parametrization method based on the B-splines boundary representation. We aim to convert a given voxel-based data to a matching C1 representation with hierarchical cubic splines. The concept of the osculating circle is employed to enhance the geometric approximation, where it is done by a single template and linear transformations (scaling, translations, and rotations) without the need for solving an optimization problem. Moreover, we use the Laplacian smoothing and refinement techniques to avoid irregular meshes and to improve mesh quality. We show with several examples that the method is capable of handling complex 2D and 3D configurations. In particular, we parametrize the 3D Stanford bunny which contains irregular shapes and voids. Finally, we propose the B´ezier ordinates approach and splines approach for C1 coupling. In the first approach, the new basis functions are defined in terms of the B´ezier Bernstein polynomials. For the second approach, the new basis is defined as a linear combination of C0 basis functions. The methods are not limited to planar or bilinear mappings. They allow the modeling of solutions to fourth order partial differential equations (PDEs) on complex geometric domains, provided that the given patches are G1 continuous. Both methods have their advantages. In particular, the B´ezier approach offer more degree of freedoms, while the spline approach is more computationally efficient. In addition, we proposed partial degree elevation to overcome the C1-locking issue caused by the over constraining of the solution space. We demonstrate the potential of the resulting C1 basis functions for application in IGA which involve fourth order PDEs such as those appearing in Kirchhoff-Love shell models, Cahn-Hilliard phase field application, and biharmonic problems.}, subject = {Modellierung}, language = {en} } @phdthesis{Salavati, author = {Salavati, Mohammad}, title = {Multi-Scale Modeling of Mechanical and Electrochemical Properties of 1D and 2D Nanomaterials, Application in Battery Energy Storage Systems}, doi = {10.25643/bauhaus-universitaet.4183}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20200623-41830}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {166}, abstract = {Material properties play a critical role in durable products manufacturing. Estimation of the precise characteristics in different scales requires complex and expensive experimental measurements. Potentially, computational methods can provide a platform to determine the fundamental properties before the final experiment. Multi-scale computational modeling leads to the modeling of the various time, and length scales include nano, micro, meso, and macro scales. These scales can be modeled separately or in correlation with coarser scales. Depend on the interested scales modeling, the right selection of multi-scale methods leads to reliable results and affordable computational cost. The present dissertation deals with the problems in various length and time scales using computational methods include density functional theory (DFT), molecular mechanics (MM), molecular dynamics (MD), and finite element (FE) methods. Physical and chemical interactions in lower scales determine the coarser scale properties. Particles interaction modeling and exploring fundamental properties are significant challenges of computational science. Downscale modelings need more computational effort due to a large number of interacted atoms/particles. To deal with this problem and bring up a fine-scale (nano) as a coarse-scale (macro) problem, we extended an atomic-continuum framework. The discrete atomic models solve as a continuum problem using the computationally efficient FE method. MM or force field method based on a set of assumptions approximates a solution on the atomic scale. In this method, atoms and bonds model as a harmonic oscillator with a system of mass and springs. The negative gradient of the potential energy equal to the forces on each atom. In this way, each bond's total potential energy includes bonded, and non-bonded energies are simulated as equivalent structural strain energies. Finally, the chemical nature of the atomic bond is modeled as a piezoelectric beam element that solves by the FE method. Exploring novel materials with unique properties is a demand for various industrial applications. During the last decade, many two-dimensional (2D) materials have been synthesized and shown outstanding properties. Investigation of the probable defects during the formation/fabrication process and studying their strength under severe service life are the critical tasks to explore performance prospects. We studied various defects include nano crack, notch, and point vacancy (Stone-Wales defect) defects employing MD analysis. Classical MD has been used to simulate a considerable amount of molecules at micro-, and meso- scales. Pristine and defective nanosheet structures considered under the uniaxial tensile loading at various temperatures using open-source LAMMPS codes. The results were visualized with the open-source software of OVITO and VMD. Quantum based first principle calculations have been conducting at electronic scales and known as the most accurate Ab initio methods. However, they are computationally expensive to apply for large systems. We used density functional theory (DFT) to estimate the mechanical and electrochemical response of the 2D materials. Many-body Schr{\"o}dinger's equation describes the motion and interactions of the solid-state particles. Solid describes as a system of positive nuclei and negative electrons, all electromagnetically interacting with each other, where the wave function theory describes the quantum state of the set of particles. However, dealing with the 3N coordinates of the electrons, nuclei, and N coordinates of the electrons spin components makes the governing equation unsolvable for just a few interacted atoms. Some assumptions and theories like Born Oppenheimer and Hartree-Fock mean-field and Hohenberg-Kohn theories are needed to treat with this equation. First, Born Oppenheimer approximation reduces it to the only electronic coordinates. Then Kohn and Sham, based on Hartree-Fock and Hohenberg-Kohn theories, assumed an equivalent fictitious non-interacting electrons system as an electron density functional such that their ground state energies are equal to a set of interacting electrons. Exchange-correlation energy functionals are responsible for satisfying the equivalency between both systems. The exact form of the exchange-correlation functional is not known. However, there are widely used methods to derive functionals like local density approximation (LDA), Generalized gradient approximation (GGA), and hybrid functionals (e.g., B3LYP). In our study, DFT performed using VASP codes within the GGA/PBE approximation, and visualization/post-processing of the results realized via open-source software of VESTA. The extensive DFT calculations are conducted 2D nanomaterials prospects as anode/cathode electrode materials for batteries. Metal-ion batteries' performance strongly depends on the design of novel electrode material. Two-dimensional (2D) materials have developed a remarkable interest in using as an electrode in battery cells due to their excellent properties. Desirable battery energy storage systems (BESS) must satisfy the high energy density, safe operation, and efficient production costs. Batteries have been using in electronic devices and provide a solution to the environmental issues and store the discontinuous energies generated from renewable wind or solar power plants. Therefore, exploring optimal electrode materials can improve storage capacity and charging/discharging rates, leading to the design of advanced batteries. Our results in multiple scales highlight not only the proposed and employed methods' efficiencies but also promising prospect of recently synthesized nanomaterials and their applications as an anode material. In this way, first, a novel approach developed for the modeling of the 1D nanotube as a continuum piezoelectric beam element. The results converged and matched closely with those from experiments and other more complex models. Then mechanical properties of nanosheets estimated and the failure mechanisms results provide a useful guide for further use in prospect applications. Our results indicated a comprehensive and useful vision concerning the mechanical properties of nanosheets with/without defects. Finally, mechanical and electrochemical properties of the several 2D nanomaterials are explored for the first time—their application performance as an anode material illustrates high potentials in manufacturing super-stretchable and ultrahigh-capacity battery energy storage systems (BESS). Our results exhibited better performance in comparison to the available commercial anode materials.}, subject = {Batterie}, language = {en} } @article{GuerlebeckLegatiukNilssonetal., author = {G{\"u}rlebeck, Klaus and Legatiuk, Dmitrii and Nilsson, Henrik and Smarsly, Kay}, title = {Conceptual modelling: Towards detecting modelling errors in engineering applications}, series = {Mathematical Methods in Applied Sciences}, journal = {Mathematical Methods in Applied Sciences}, doi = {10.1002/mma.5934}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20200110-40614}, pages = {1 -- 10}, abstract = {Rapid advancements of modern technologies put high demands on mathematical modelling of engineering systems. Typically, systems are no longer "simple" objects, but rather coupled systems involving multiphysics phenomena, the modelling of which involves coupling of models that describe different phenomena. After constructing a mathematical model, it is essential to analyse the correctness of the coupled models and to detect modelling errors compromising the final modelling result. Broadly, there are two classes of modelling errors: (a) errors related to abstract modelling, eg, conceptual errors concerning the coherence of a model as a whole and (b) errors related to concrete modelling or instance modelling, eg, questions of approximation quality and implementation. Instance modelling errors, on the one hand, are relatively well understood. Abstract modelling errors, on the other, are not appropriately addressed by modern modelling methodologies. The aim of this paper is to initiate a discussion on abstract approaches and their usability for mathematical modelling of engineering systems with the goal of making it possible to catch conceptual modelling errors early and automatically by computer assistant tools. To that end, we argue that it is necessary to identify and employ suitable mathematical abstractions to capture an accurate conceptual description of the process of modelling engineering systems.}, subject = {Angewandte Mathematik}, language = {en} } @phdthesis{Goebel, author = {G{\"o}bel, Luise}, title = {Experimental and semi-analytical multiscale approaches for the characterization of the elastic and viscoelastic behavior of polymer-modified cement-based materials}, publisher = {Bauhaus-Universit{\"a}tsverlag}, address = {Weimar}, isbn = {978-3-95773-269-9}, doi = {10.25643/bauhaus-universitaet.3827}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20181211-38279}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {259}, abstract = {Polymer-modified cement concrete (PCC) is a heterogeneous building material with a hierarchically organized microstructure. Therefore, continuum micromechanics-based multiscale models represent a promising method to estimate the mechanical properties. By means of a bottom-up approach, homogenized properties at the macroscopic scale are derived considering microstructural characteristics. The extension of existing multiscale models for the application to PCC is the main objective of this work. For that, cross-scale experimental studies are required. Both macroscopic and microscopic mechanical tests are performed to characterize the elastic and viscoelastic properties of different PCC. The comparison between experiment and model prediction illustrates the success of the modeling approach.}, subject = {Elastizit{\"a}tsmodul}, language = {en} } @article{ZhuangHuangLiangetal., author = {Zhuang, Xiaoying and Huang, Runqiu and Liang, Chao and Rabczuk, Timon}, title = {A coupled thermo-hydro-mechanical model of jointed hard rock for compressed air energy storage}, series = {Mathematical Problems in Engineering}, journal = {Mathematical Problems in Engineering}, doi = {10.1155/2014/179169}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20170428-31726}, abstract = {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.}, subject = {Energiespeicherung}, language = {en} } @article{KreibichPirothSeifertetal., author = {Kreibich, H. and Piroth, K. and Seifert, I. and Maiwald, Holger and Kunert, U. and Schwarz, Jochen and Merz, B. and Thieken, A. H.}, title = {Is flow velocity a significant parameter in flood damage modelling?}, series = {Natural Hazards and Earth System Science}, journal = {Natural Hazards and Earth System Science}, doi = {10.25643/bauhaus-universitaet.3145}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20170425-31455}, pages = {1679 -- 1692}, abstract = {Flow velocity is generally presumed to influence flood damage. However, this influence is hardly quantified and virtually no damage models take it into account. Therefore, the influences of flow velocity, water depth and combinations of these two impact parameters on various types of flood damage were investigated in five communities affected by the Elbe catchment flood in Germany in 2002. 2-D hydraulic models with high to medium spatial resolutions were used to calculate the impact parameters at the sites in which damage occurred. A significant influence of flow velocity on structural damage, particularly on roads, could be shown in contrast to a minor influence on monetary losses and business interruption. Forecasts of structural damage to road infrastructure should be based on flow velocity alone. The energy head is suggested as a suitable flood impact parameter for reliable forecasting of structural damage to residential buildings above a critical impact level of 2m of energy head or water depth. However, general consideration of flow velocity in flood damage modelling, particularly for estimating monetary loss, cannot be recommended.}, subject = {Str{\"o}mungsgeschwindigkeit}, language = {en} }