TY - JOUR A1 - Nguyen-Vinh, H. A1 - Bakar, I. A1 - Msekh, Mohammed Abdulrazzak A1 - Song, Jeong-Hoon A1 - Muthu, Jacob A1 - Zi, Goangseup A1 - Le, P. A1 - Bordas, Stéphane Pierre Alain A1 - Simpson, R. A1 - Natarajan, S. A1 - Lahmer, Tom A1 - Rabczuk, Timon T1 - Extended Finite Element Method for Dynamic Fracture of Piezo-Electric Materials JF - Engineering Fracture Mechanics N2 - 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. KW - Angewandte Mathematik KW - Stochastik KW - Strukturmechanik Y1 - 2012 U6 - http://dx.doi.org/10.1016/j.engfracmech.2012.04.025 SP - 19 EP - 31 ER - TY - JOUR A1 - Areias, Pedro A1 - Rabczuk, Timon A1 - Dias-da-Costa, D. A1 - Piresh, E.B. T1 - Implicit solutions with consistent additive and multiplicative components JF - Finite Elements in Analysis and Design N2 - 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. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 U6 - http://dx.doi.org/10.1016/j.finel.2012.03.007 SP - 15 EP - 31 ER - TY - JOUR A1 - Jiang, Jin-Wu A1 - Wang, Bing-Shen A1 - Rabczuk, Timon T1 - Acoustic and breathing phonon modes in bilayer graphene with Moire-acute patterns JF - Applied Physics Letters N2 - 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. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 U6 - http://dx.doi.org/10.1063/1.4735246 ER - TY - JOUR A1 - Jiang, Jin-Wu A1 - Zhao, Jun-Hua A1 - Zhou, K. A1 - Rabczuk, Timon T1 - Superior thermal conductivity and extremely high mechanical strength in polyethylene chains from ab initio calculation JF - Journal of Applied Physics N2 - 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. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 U6 - http://dx.doi.org/10.1063/1.4729489 ER - TY - CHAP ED - Gürlebeck, Klaus ED - Lahmer, Tom ED - Werner, Frank T1 - International Conference on the Applications of Computer Science and Mathematics in Architecture and Civil Engineering : July 04 - 06 2012, Bauhaus-University Weimar T1 - Internationales Kolloquium über Anwendungen der Informatik und Mathematik in Architektur und Bauwesen : 04. bis 06.07. 2012, Bauhaus-Universität Weimar T2 - Digital Proceedings, International Conference on the Applications of Computer Science and Mathematics in Architecture and Civil Engineering : July 04 - 06 2012, Bauhaus-University Weimar N2 - The 19th International Conference on the Applications of Computer Science and Mathematics in Architecture and Civil Engineering will be held at the Bauhaus University Weimar from 4th till 6th July 2012. Architects, computer scientists, mathematicians, and engineers from all over the world will meet in Weimar for an interdisciplinary exchange of experiences, to report on their results in research, development and practice and to discuss. The conference covers a broad range of research areas: numerical analysis, function theoretic methods, partial differential equations, continuum mechanics, engineering applications, coupled problems, computer sciences, and related topics. Several plenary lectures in aforementioned areas will take place during the conference. We invite architects, engineers, designers, computer scientists, mathematicians, planners, project managers, and software developers from business, science and research to participate in the conference! KW - Angewandte Informatik KW - Angewandte Mathematik KW - Computerunterstütztes Verfahren Y1 - 2012 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20150916-24571 UR - http://euklid.bauing.uni-weimar.de/ikm2012 SN - 1611-4086 ER - TY - JOUR A1 - Jiang, Jin-Wu A1 - Park, Harold S. A1 - Rabczuk, Timon T1 - Enhancing the mass sensitivity of graphene nanoresonators via nonlinear oscillations: The effective strain mechanism JF - Nanotechnology N2 - Enhancing the mass sensitivity of graphene nanoresonators via nonlinear oscillations: The effective strain mechanism KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 ER - TY - JOUR A1 - Knecht, Katja A1 - König, Reinhard T1 - Automatische Grundstücksumlegung mithilfe von Unterteilungsalgorithmen und typenbasierte Generierung von Stadtstrukturen N2 - Dieses Arbeitspapier beschreibt, wie ausgehend von einem vorhandenen Straßennetzwerk Bebauungsareale mithilfe von Unterteilungsalgorithmen automatisch umgelegt, d.h. in Grundstücke unterteilt, und anschließend auf Basis verschiedener städtebaulicher Typen bebaut werden können. Die Unterteilung von Bebauungsarealen und die Generierung von Bebauungsstrukturen unterliegen dabei bestimmten stadtplanerischen Einschränkungen, Vorgaben und Parametern. Ziel ist es aus den dargestellten Untersuchungen heraus ein Vorschlagssystem für stadtplanerische Entwürfe zu entwickeln, das anhand der Umsetzung eines ersten Softwareprototyps zur Generierung von Stadtstrukturen weiter diskutiert wird. T3 - Arbeitspapiere Informatik in der Architektur - Nr. 15 KW - Automatisierung KW - Grundstücksumlegung KW - städtische Strukturen KW - Unterteilungsalgorithmen KW - Computational Design Y1 - 2012 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20160822-26730 UR - http://infar.architektur.uni-weimar.de/service/drupal-infar/Arbeitspapiere ER - TY - THES A1 - Phung Thi, Thu Ha T1 - Metakaolin as an Additive in Composite Cement N2 - Metakaolin made from kaolin is used around the world but rarely in Vietnam where abundant deposits of kaolin is found. The first studies of producing metakaolin were conducted with high quality Vietnamese kaolins. The results showed the potential to produce metakaolin, and its effect has on strength development of mortars and concretes. However, utilisation of a low quality kaolin for producing Vietnamese metakaolin has not been studied so far. The objectives of this study were to produce a good quality metakaolin made from low quality Vietnamese kaolin and to facilitate the utilisation of Vietnamese metakaolin in composite cements. In order to reach such goals, the optimal thermal conversion of Vietnamese kaolin into metakaolin was carried out by many investigations, and as such the optimal conversion is found using the analysis results of DSC/TGA, XRD and CSI. During the calcination in a range of 500 – 800 oC lasting for 1 – 5 hours, the characterisation of calcinated kaolin was also monitored for mass loss, BET surface, PSD, density as well as the presence of the residual water. It is found to have a well correlation between residual water and BET surface. The pozzolanic activity of metakaolin was tested by various methods regarding to the saturated lime method, mCh and TGA-CaO method. The results of the study showed which method is the most suitable one to characterise the real activity of metakaolin and can reach the greatest agreement with concrete performance. Furthermore, the pozzolanic activity results tested using methods were also analysed and compared to each other with respect to the BET surface. The properties of Vietnam metakaolin was established using investigations on water demand, setting time, spread-flowability, and strength. It is concluded that depending on the intended use of composite cement and weather conditions of cure, each Vietnamese metakaolin can be used appropriately to produce (1) a composite cement with a low water demand (2) a high strength of composite cement (3) a composite cement that aims to reduce CO2 emissions and to improve economics of cement products (4) a high performance mortar. The durability of metakaolin mortar was tested to find the needed metakaolin content against ASR, sulfat and sulfuric acid attacks successfully. KW - metakaolin KW - composite cement KW - durability KW - cement Y1 - 2012 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20130705-19764 SN - 978-3-00-042655-1 PB - F. A. Finger-Institut für Baustoffkunde CY - Weimar ER - TY - THES A1 - Schrader, Kai T1 - Hybrid 3D simulation methods for the damage analysis of multiphase composites T1 - Hybride 3D Simulationsmethoden zur Abbildung der Schädigungsvorgänge in Mehrphasen-Verbundwerkstoffen N2 - Modern digital material approaches for the visualization and simulation of heterogeneous materials allow to investigate the behavior of complex multiphase materials with their physical nonlinear material response at various scales. However, these computational techniques require extensive hardware resources with respect to computing power and main memory to solve numerically large-scale discretized models in 3D. Due to a very high number of degrees of freedom, which may rapidly be increased to the two-digit million range, the limited hardware ressources are to be utilized in a most efficient way to enable an execution of the numerical algorithms in minimal computation time. Hence, in the field of computational mechanics, various methods and algorithms can lead to an optimized runtime behavior of nonlinear simulation models, where several approaches are proposed and investigated in this thesis. Today, the numerical simulation of damage effects in heterogeneous materials is performed by the adaption of multiscale methods. A consistent modeling in the three-dimensional space with an appropriate discretization resolution on each scale (based on a hierarchical or concurrent multiscale model), however, still contains computational challenges in respect to the convergence behavior, the scale transition or the solver performance of the weak coupled problems. The computational efficiency and the distribution among available hardware resources (often based on a parallel hardware architecture) can significantly be improved. In the past years, high-performance computing (HPC) and graphics processing unit (GPU) based computation techniques were established for the investigationof scientific objectives. Their application results in the modification of existing and the development of new computational methods for the numerical implementation, which enables to take advantage of massively clustered computer hardware resources. In the field of numerical simulation in material science, e.g. within the investigation of damage effects in multiphase composites, the suitability of such models is often restricted by the number of degrees of freedom (d.o.f.s) in the three-dimensional spatial discretization. This proves to be difficult for the type of implementation method used for the nonlinear simulation procedure and, simultaneously has a great influence on memory demand and computational time. In this thesis, a hybrid discretization technique has been developed for the three-dimensional discretization of a three-phase material, which is respecting the numerical efficiency of nonlinear (damage) simulations of these materials. The increase of the computational efficiency is enabled by the improved scalability of the numerical algorithms. Consequently, substructuring methods for partitioning the hybrid mesh were implemented, tested and adapted to the HPC computing framework using several hundred CPU (central processing units) nodes for building the finite element assembly. A memory-efficient iterative and parallelized equation solver combined with a special preconditioning technique for solving the underlying equation system was modified and adapted to enable combined CPU and GPU based computations. Hence, it is recommended by the author to apply the substructuring method for hybrid meshes, which respects different material phases and their mechanical behavior and which enables to split the structure in elastic and inelastic parts. However, the consideration of the nonlinear material behavior, specified for the corresponding phase, is limited to the inelastic domains only, and by that causes a decreased computing time for the nonlinear procedure. Due to the high numerical effort for such simulations, an alternative approach for the nonlinear finite element analysis, based on the sequential linear analysis, was implemented in respect to scalable HPC. The incremental-iterative procedure in finite element analysis (FEA) during the nonlinear step was then replaced by a sequence of linear FE analysis when damage in critical regions occured, known in literature as saw-tooth approach. As a result, qualitative (smeared) crack initiation in 3D multiphase specimens has efficiently been simulated. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2013,2 KW - high-performance computing KW - finite element method KW - heterogeneous material KW - domain decomposition KW - scalable smeared crack analysis KW - FEM KW - multiphase KW - damage KW - HPC KW - solver Y1 - 2012 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20131021-20595 ER - TY - JOUR A1 - Natarajan, S. A1 - Chakraborty, S. A1 - Thangavel, M. A1 - Bordas, Stéphane Pierre Alain A1 - Rabczuk, Timon T1 - Size dependent free flexural vibration behavior of functionally graded nanoplates JF - Computational Materials Science N2 - Size dependent free flexural vibration behavior of functionally graded nanoplates KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 SP - 74 EP - 80 ER -