TY - JOUR A1 - Wang, Quan A1 - Arash, Behrouz T1 - Announcement of a virtual special issue on computational carbon nanoscience JF - Carbon N2 - The Carbon journal is pleased to introduce a themed collection of recent articles in the area of computational carbon nanoscience. This virtual special issue was assembled from previously published Carbon articles by Guest Editors Quan Wang and Behrouz Arash, and can be accessed as a set in the special issue section of the journal website homepage: www.journals.elsevier.com/carbon. The article below by our guest editors serves as an introduction to this virtual special issue, and also a commentary on the growing role of computation as a tool to understand the synthesis and properties of carbon nanoforms and their behavior in composite materials. KW - Kohlenstoff KW - Nanowissenschaften KW - Verbundwerkstoff Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20170428-31695 SP - 370 EP - 372 ER - TY - JOUR A1 - Bargstädt, Hans-Joachim T1 - Challenges of BIM for Construction Site Operations JF - Procedia Engineering N2 - Building Information Modeling is a powerful tool for the design and for a consistent set of data in a virtual storage. For the application in the phases of realization and on site it needs further development. The paper describes main challenges and main features, which will help the development of software to better service the needs of construction site managers KW - Building Information Modeling KW - Baustelle KW - BIM; Building Information Modeling; site management; construction site. Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20170413-31218 SP - 52 EP - 59 ER - TY - JOUR A1 - Lahmer, Tom A1 - Ilg, J. A1 - Lerch, Reinhard T1 - Variance-based sensitivity analyses of piezoelectric models JF - Computer Modeling in Engineering & Sciences N2 - Variance-based sensitivity analyses of piezoelectric models KW - Angewandte Mathematik KW - Stochastik KW - Strukturmechanik Y1 - 2015 SP - 105 EP - 126 ER - TY - JOUR A1 - Zhao, Jun-Hua A1 - Lu, Lixin A1 - Zhang, Zhiliang A1 - Guo, Wanlin A1 - Rabczuk, Timon T1 - Continuum modeling of the cohesive energy for the interfaces between _lms, spheres, coats and substrates JF - Computational Materials Science N2 - Continuum modeling of the cohesive energy for the interfaces between _lms, spheres, coats and substrates KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 432 EP - 438 ER - TY - JOUR A1 - Ben, S. A1 - Zhao, Jun-Hua A1 - Zhang, Yancheng A1 - Rabczuk, Timon T1 - The interface strength and debonding for composite structures: review and recent developments JF - Composite Structures N2 - The interface strength and debonding for composite structures: review and recent developments KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 ER - TY - JOUR A1 - Zhao, Jun-Hua A1 - Jia, Yue A1 - Wei, Ning A1 - Rabczuk, Timon T1 - Binding energy and mechanical stability of two parallel and crossing carbon nanotubes JF - Journal of Applied Mechanics N2 - Binding energy and mechanical stability of two parallel and crossing carbon nanotubes KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 ER - TY - JOUR A1 - Kumar, S. A1 - Singh, I. A1 - Mishra, B.K. A1 - Rabczuk, Timon T1 - Modeling and Simulation of Kinked Cracks by Virtual Node XFEM JF - Computer Methods in Applied Mechanics and Engineering N2 - Modeling and Simulation of Kinked Cracks by Virtual Node XFEM KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 1425 EP - 1466 ER - TY - JOUR A1 - Jiang, Jin-Wu A1 - Rabczuk, Timon A1 - Park, Harold S. T1 - A Stillinger-Weber Potential for Single-Layer Black Phosphorus, and the Importance of Cross-Pucker Interactions for Negative Poisson's Ratio and Edge Stress-Induced Bending JF - Nanoscale N2 - 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. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 U6 - http://dx.doi.org/10.1039/C4NR07341J ER - TY - JOUR A1 - Talebi, Hossein A1 - Silani, Mohammad A1 - Rabczuk, Timon T1 - Concurrent Multiscale Modelling of Three Dimensional Crack and Dislocation Propagation JF - Advances in Engineering Software N2 - Concurrent Multiscale Modelling of Three Dimensional Crack and Dislocation Propagation KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 82 EP - 92 ER - TY - JOUR A1 - Ghasemi, Hamid A1 - Brighenti, Roberto A1 - Zhuang, Xiaoying A1 - Muthu, Jacob A1 - Rabczuk, Timon T1 - Optimum fiber content and distribution in fiber-reinforced solids using a reliability and NURBS based sequential optimization approach JF - Structural and Multidisciplinary Optimization N2 - Optimum _ber content and distribution in _ber-reinforced solids using a reliability and NURBS based sequential optimization approach KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 99 EP - 112 ER - TY - JOUR A1 - Areias, Pedro A1 - Rabczuk, Timon A1 - Cesar de Sa, J.M. A1 - Jorge, R.N. T1 - A semi-implicit _nite strain shell algorithm using in-plane strains based on least-squares JF - Computational Mechanics N2 - A semi-implicit _nite strain shell algorithm using in-plane strains based on least-squares KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 ER - TY - JOUR A1 - Vu-Bac, N. A1 - Silani, Mohammad A1 - Lahmer, Tom A1 - Zhuang, Xiaoying A1 - Rabczuk, Timon T1 - A unified framework for stochastic predictions of Young's modulus of clay/epoxy nanocomposites (PCNs) JF - Computational Materials Science N2 - A unified framework for stochastic predictions of Young's modulus of clay/epoxy nanocomposites (PCNs) KW - Angewandte Mathematik KW - Stochastik KW - Strukturmechanik Y1 - 2015 SP - 520 EP - 535 ER - TY - JOUR A1 - Nanthakumar, S.S. A1 - Lahmer, Tom A1 - Zhuang, Xiaoying A1 - Zi, Goangseup A1 - Rabczuk, Timon T1 - Detection of material interfaces using a regularized level set method in piezoelectric structures JF - Inverse Problems in Science and Engineering N2 - Detection of material interfaces using a regularized level set method in piezoelectric structures KW - Angewandte Mathematik KW - Stochastik KW - Strukturmechanik Y1 - 2015 ER - TY - JOUR A1 - Vu-Bac, N. A1 - Rafiee, Roham A1 - Zhuang, Xiaoying A1 - Lahmer, Tom A1 - Rabczuk, Timon T1 - Uncertainty quantification for multiscale modeling of polymer nanocomposites with correlated parameters JF - Composites Part B: Engineering N2 - Uncertainty quantification for multiscale modeling of polymer nanocomposites with correlated parameters KW - Angewandte Mathematik KW - Stochastik KW - Strukturmechanik Y1 - 2015 SP - 446 EP - 464 ER - TY - THES A1 - Vu, Bac Nam T1 - Stochastic uncertainty quantification for multiscale modeling of polymeric nanocomposites N2 - Nanostructured materials are extensively applied in many fields of material science for new industrial applications, particularly in the automotive, aerospace industry due to their exceptional physical and mechanical properties. Experimental testing of nanomaterials is expensive, timeconsuming,challenging and sometimes unfeasible. Therefore,computational simulations have been employed as alternative method to predict macroscopic material properties. The behavior of polymeric nanocomposites (PNCs) are highly complex. The origins of macroscopic material properties reside in the properties and interactions taking place on finer scales. It is therefore essential to use multiscale modeling strategy to properly account for all large length and time scales associated with these material systems, which across many orders of magnitude. Numerous multiscale models of PNCs have been established, however, most of them connect only two scales. There are a few multiscale models for PNCs bridging four length scales (nano-, micro-, meso- and macro-scales). In addition, nanomaterials are stochastic in nature and the prediction of macroscopic mechanical properties are influenced by many factors such as fine-scale features. The predicted mechanical properties obtained by traditional approaches significantly deviate from the measured values in experiments due to neglecting uncertainty of material features. This discrepancy is indicated that the effective macroscopic properties of materials are highly sensitive to various sources of uncertainty, such as loading and boundary conditions and material characteristics, etc., while very few stochastic multiscale models for PNCs have been developed. Therefore, it is essential to construct PNC models within the framework of stochastic modeling and quantify the stochastic effect of the input parameters on the macroscopic mechanical properties of those materials. This study aims to develop computational models at four length scales (nano-, micro-, meso- and macro-scales) and hierarchical upscaling approaches bridging length scales from nano- to macro-scales. A framework for uncertainty quantification (UQ) applied to predict the mechanical properties of the PNCs in dependence of material features at different scales is studied. Sensitivity and uncertainty analysis are of great helps in quantifying the effect of input parameters, considering both main and interaction effects, on the mechanical properties of the PNCs. To achieve this major goal, the following tasks are carried out: At nano-scale, molecular dynamics (MD) were used to investigate deformation mechanism of glassy amorphous polyethylene (PE) in dependence of temperature and strain rate. Steered molecular dynamics (SMD)were also employed to investigate interfacial characteristic of the PNCs. At mico-scale, we developed an atomistic-based continuum model represented by a representative volume element (RVE) in which the SWNT’s properties and the SWNT/polymer interphase are modeled at nano-scale, the surrounding polymer matrix is modeled by solid elements. Then, a two-parameter model was employed at meso-scale. A hierarchical multiscale approach has been developed to obtain the structure-property relations at one length scale and transfer the effect to the higher length scales. In particular, we homogenized the RVE into an equivalent fiber. The equivalent fiber was then employed in a micromechanical analysis (i.e. Mori-Tanaka model) to predict the effective macroscopic properties of the PNC. Furthermore, an averaging homogenization process was also used to obtain the effective stiffness of the PCN at meso-scale. Stochastic modeling and uncertainty quantification consist of the following ingredients: - Simple random sampling, Latin hypercube sampling, Sobol’ quasirandom sequences, Iman and Conover’s method (inducing correlation in Latin hypercube sampling) are employed to generate independent and dependent sample data, respectively. - Surrogate models, such as polynomial regression, moving least squares (MLS), hybrid method combining polynomial regression and MLS, Kriging regression, and penalized spline regression, are employed as an approximation of a mechanical model. The advantage of the surrogate models is the high computational efficiency and robust as they can be constructed from a limited amount of available data. - Global sensitivity analysis (SA) methods, such as variance-based methods for models with independent and dependent input parameters, Fourier-based techniques for performing variance-based methods and partial derivatives, elementary effects in the context of local SA, are used to quantify the effects of input parameters and their interactions on the mechanical properties of the PNCs. A bootstrap technique is used to assess the robustness of the global SA methods with respect to their performance. In addition, the probability distribution of mechanical properties are determined by using the probability plot method. The upper and lower bounds of the predicted Young’s modulus according to 95 % prediction intervals were provided. The above-mentioned methods study on the behaviour of intact materials. Novel numerical methods such as a node-based smoothed extended finite element method (NS-XFEM) and an edge-based smoothed phantom node method (ES-Phantom node) were developed for fracture problems. These methods can be used to account for crack at macro-scale for future works. The predicted mechanical properties were validated and verified. They show good agreement with previous experimental and simulations results. KW - Polymere KW - nanocomposite KW - Nanoverbundstruktur KW - stochastic KW - multiscale Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20160322-25551 ER - TY - JOUR A1 - Msekh, Mohammed Abdulrazzak A1 - Sargado, M. A1 - Jamshidian, M. A1 - Areias, Pedro A1 - Rabczuk, Timon T1 - ABAQUS implementation of phase_field model for brittle fracture JF - Computational Materials Science N2 - ABAQUS implementation of phase_field model for brittle fracture KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 472 EP - 484 ER - TY - JOUR A1 - Zhao, Jiyun A1 - Lu, Lixin A1 - Rabczuk, Timon T1 - The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers JF - Computational Materials Science N2 - The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 567 EP - 572 ER - TY - JOUR A1 - Anitescu, Cosmin A1 - Jia, Yue A1 - Zhang, Yongjie A1 - Rabczuk, Timon T1 - An isogeometric collocation method using superconvergent points JF - Computer Methods in Applied Mechanics and Engineer-ing N2 - An isogeometric collocation method using superconvergent points KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 1073 EP - 1097 ER - TY - JOUR A1 - Areias, Pedro A1 - Rabczuk, Timon A1 - Cesar de Sa, J.M. A1 - Garcao, J.E. T1 - Finite strain quadrilateral shell using least-squares _t of relative Lagrangian in-plane strains JF - Finite Elements in Analysis and Design N2 - Finite strain quadrilateral shell using least-squares _t of relative Lagrangian in-plane strains KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 26 EP - 40 ER - TY - JOUR A1 - Ghasemi, Hamid A1 - Kerfriden, Pierre A1 - Bordas, Stéphane Pierre Alain A1 - Muthu, Jacob A1 - Zi, Goangseup A1 - Rabczuk, Timon T1 - Interfacial shear stress optimization in sandwich beams with polymeric core using nonuniform distribution of reinforcing ingredients JF - Composite Structures N2 - Interfacial shear stress optimization in sandwich beams with polymeric core using nonuniform distribution of reinforcing ingredients KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 221 EP - 230 ER - TY - JOUR A1 - Jia, Yue A1 - Zhang, Yongjie A1 - Rabczuk, Timon T1 - A Novel Dynamic Multilevel Technique for Image Registration JF - Computers and Mathematics with Applications N2 - A Novel Dynamic Multilevel Technique for Image Registration KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 ER - TY - JOUR A1 - Areias, Pedro A1 - Rabczuk, Timon A1 - Queiros de Melo, F. J. M. A1 - Cesar de Sa, J.M. T1 - Coulomb frictional contact by explicit projection in the cone for _nite displacement quasi-static problems JF - Computational Mechanics N2 - Coulomb frictional contact by explicit projection in the cone for _nite displacement quasi-static problems KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 57 EP - 72 ER - TY - JOUR A1 - Silani, Mohammad A1 - Talebi, Hossein A1 - Ziaei-Rad, S. A1 - Hamouda, A.M.S. A1 - Zi, Goangseup A1 - Rabczuk, Timon T1 - A three dimensional Extended Arlequin Method for Dynamic Fracture JF - Computational Materials Science N2 - A three dimensional Extended Arlequin Method for Dynamic Fracture KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 425 EP - 431 ER - TY - JOUR A1 - Ilyani Akmar, A.B. A1 - Kramer, O. A1 - Rabczuk, Timon T1 - Multi-objective evolutionary optimization of sandwich structures: An evaluation by elitist non-dominated sorting evolution strategy JF - American Journal of Engineering and Applied Sciences N2 - In this study, an application of evolutionary multi-objective optimization algorithms on the optimization of sandwich structures is presented. The solution strategy is known as Elitist Non-Dominated Sorting Evolution Strategy (ENSES) wherein Evolution Strategies (ES) as Evolutionary Algorithm (EA) in the elitist Non-dominated Sorting Genetic algorithm (NSGA-II) procedure. Evolutionary algorithm seems a compatible approach to resolve multi-objective optimization problems because it is inspired by natural evolution, which closely linked to Artificial Intelligence (AI) techniques and elitism has shown an important factor for improving evolutionary multi-objective search. In order to evaluate the notion of performance by ENSES, the well-known study case of sandwich structures are reconsidered. For Case 1, the goals of the multi-objective optimization are minimization of the deflection and the weight of the sandwich structures. The length, the core and skin thicknesses are the design variables of Case 1. For Case 2, the objective functions are the fabrication cost, the beam weight and the end deflection of the sandwich structures. There are four design variables i.e., the weld height, the weld length, the beam depth and the beam width in Case 2. Numerical results are presented in terms of Paretooptimal solutions for both evaluated cases. KW - Optimierung KW - Stahlbau KW - Multi-objective Evolutionary Optimization, Elitist Non- Dominated Sorting Evolution Strategy (ENSES), Sandwich Structure, Pareto-Optimal Solutions, Evolutionary Algorithm Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20170418-31402 SP - 185 EP - 201 ER - TY - JOUR A1 - Mortazavi, Bohayra A1 - Cuniberti, G. A1 - Rabczuk, Timon T1 - Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study JF - Computational Materials Science N2 - Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 285 EP - 289 ER - TY - JOUR A1 - Budarapu, Pattabhi Ramaiah A1 - Narayana, T.S.S. A1 - Rammohan, B. A1 - Rabczuk, Timon T1 - Directionality of sound radiation from rectangular panels JF - Applied Acoustics N2 - Directionality of sound radiation from rectangular panels KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 128 EP - 140 ER - TY - JOUR A1 - Arash, Behrouz A1 - Rabczuk, Timon A1 - Jiang, Jin-Wu T1 - Nanoresonators and their applications: a state of the art review JF - Applied Physics Reviews N2 - Nanoresonators and their applications: a state of the art review KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 ER - TY - JOUR A1 - Mortazavi, Bohayra A1 - Rabczuk, Timon T1 - Multiscale modeling of heat conduction in graphene laminates JF - Carbon N2 - Multiscale modeling of heat conduction in graphene laminates KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 1 EP - 7 ER - TY - JOUR A1 - Thai, Chien H. A1 - Nguyen-Xuan, Hung A1 - Bordas, Stéphane Pierre Alain A1 - Nguyen-Thanh, Nhon A1 - Rabczuk, Timon T1 - Isogeometric analysis of laminated composite plates using the higher-order shear deformation theory JF - Mechanics of Advanced Materials and Structures N2 - Isogeometric analysis of laminated composite plates using the higher-order shear deformation theory KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 451 EP - 469 ER - TY - JOUR A1 - Yang, Shih-Wei A1 - Budarapu, Pattabhi Ramaiah A1 - Mahapatra, D.R. A1 - Bordas, Stéphane Pierre Alain A1 - Zi, Goangseup A1 - Rabczuk, Timon T1 - A Meshless Adaptive Multiscale Method for Fracture JF - Computational Materials Science N2 - A Meshless Adaptive Multiscale Method for Fracture KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 382 EP - 395 ER - TY - THES A1 - Budarapu, Pattabhi Ramaiah T1 - Adaptive multiscale methods for fracture T1 - Adaptive Multiskalen-Methoden zur Modellierung von Materialversagen N2 - One major research focus in the Material Science and Engineering Community in the past decade has been to obtain a more fundamental understanding on the phenomenon 'material failure'. Such an understanding is critical for engineers and scientists developing new materials with higher strength and toughness, developing robust designs against failure, or for those concerned with an accurate estimate of a component's design life. Defects like cracks and dislocations evolve at nano scales and influence the macroscopic properties such as strength, toughness and ductility of a material. In engineering applications, the global response of the system is often governed by the behaviour at the smaller length scales. Hence, the sub-scale behaviour must be computed accurately for good predictions of the full scale behaviour. Molecular Dynamics (MD) simulations promise to reveal the fundamental mechanics of material failure by modeling the atom to atom interactions. Since the atomistic dimensions are of the order of Angstroms ( A), approximately 85 billion atoms are required to model a 1 micro- m^3 volume of Copper. Therefore, pure atomistic models are prohibitively expensive with everyday engineering computations involving macroscopic cracks and shear bands, which are much larger than the atomistic length and time scales. To reduce the computational effort, multiscale methods are required, which are able to couple a continuum description of the structure with an atomistic description. In such paradigms, cracks and dislocations are explicitly modeled at the atomistic scale, whilst a self-consistent continuum model elsewhere. Many multiscale methods for fracture are developed for "fictitious" materials based on "simple" potentials such as the Lennard-Jones potential. Moreover, multiscale methods for evolving cracks are rare. Efficient methods to coarse grain the fine scale defects are missing. However, the existing multiscale methods for fracture do not adaptively adjust the fine scale domain as the crack propagates. Most methods, therefore only "enlarge" the fine scale domain and therefore drastically increase computational cost. Adaptive adjustment requires the fine scale domain to be refined and coarsened. One of the major difficulties in multiscale methods for fracture is to up-scale fracture related material information from the fine scale to the coarse scale, in particular for complex crack problems. Most of the existing approaches therefore were applied to examples with comparatively few macroscopic cracks. Key contributions The bridging scale method is enhanced using the phantom node method so that cracks can be modeled at the coarse scale. To ensure self-consistency in the bulk, a virtual atom cluster is devised providing the response of the intact material at the coarse scale. A molecular statics model is employed in the fine scale where crack propagation is modeled by naturally breaking the bonds. The fine scale and coarse scale models are coupled by enforcing the displacement boundary conditions on the ghost atoms. An energy criterion is used to detect the crack tip location. Adaptive refinement and coarsening schemes are developed and implemented during the crack propagation. The results were observed to be in excellent agreement with the pure atomistic simulations. The developed multiscale method is one of the first adaptive multiscale method for fracture. A robust and simple three dimensional coarse graining technique to convert a given atomistic region into an equivalent coarse region, in the context of multiscale fracture has been developed. The developed method is the first of its kind. The developed coarse graining technique can be applied to identify and upscale the defects like: cracks, dislocations and shear bands. The current method has been applied to estimate the equivalent coarse scale models of several complex fracture patterns arrived from the pure atomistic simulations. The upscaled fracture pattern agree well with the actual fracture pattern. The error in the potential energy of the pure atomistic and the coarse grained model was observed to be acceptable. A first novel meshless adaptive multiscale method for fracture has been developed. The phantom node method is replaced by a meshless differential reproducing kernel particle method. The differential reproducing kernel particle method is comparatively more expensive but allows for a more "natural" coupling between the two scales due to the meshless interpolation functions. The higher order continuity is also beneficial. The centro symmetry parameter is used to detect the crack tip location. The developed multiscale method is employed to study the complex crack propagation. Results based on the meshless adaptive multiscale method were observed to be in excellent agreement with the pure atomistic simulations. The developed multiscale methods are applied to study the fracture in practical materials like Graphene and Graphene on Silicon surface. The bond stretching and the bond reorientation were observed to be the net mechanisms of the crack growth in Graphene. The influence of time step on the crack propagation was studied using two different time steps. Pure atomistic simulations of fracture in Graphene on Silicon surface are presented. Details of the three dimensional multiscale method to study the fracture in Graphene on Silicon surface are discussed. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2015,1 KW - Material KW - Strukturmechanik KW - Materialversagen KW - material failure Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20150507-23918 ER - TY - THES A1 - Le, Ha Thanh T1 - Behaviour of Rice Husk Ash in Self-Compacting High Performance Concrete N2 - The main objective of this thesis is to investigate the characteristics of rice husk ash RHA) and then its behaviour in self-compacting high performance concrete (SCHPC) with respects to rheological properties, hydration and microstructure development and alkali silica reaction, in comparison with silica fume (SF). The main results show that the RHA is a macro-mesoporous amorphous siliceous material with a very high silica content comparable with SF. The pore size distribution is the most important parameter of RHA besides amorphous silica content. This parameter affects pore volume, specific surface area, and thus the water demand and the pozzolanic reactivity of RHA and its behaviour in SCHPC. The incorporation of RHA decreases filling and passing abilities, but significantly increases plastic viscosity and segregation resistance of SCHPC. Therefore, RHA can be used as a viscosity modifying admixture for SCHPC. The incorporation of RHA increases the superplasticizer adsorption, the superplasticizer saturation dosage, yield stress and plastic viscosity of mortar. Fresh mortar formulated from SCHPC is a shear-thickening material. The incorporation of RHA/SF ecreases the shearthickening degree. The incorporation of RHA/SF increases the degree of cement hydration. SF appears more effective at 3 days possibly due to the better nucleation site effect, whereas RHA dominates at the later ages possibly due to the internal water curing effect. The incorporation of RHA/SF increases the degree of C3S hydration, particularly the C3S hydration rate from 3 to 14 days. The pozzolanic reaction takes place outside and inside RHA particles. The internal pozzolanic eaction products consolidate the pores inside RHA particles rather than contribute to the pore refinement in the cement matrix. In the presence of the high alkali concentration, RHA particles act as microreactive aggregates and react with alkali hydroxide to generate the expansive alkali silica reaction products. Increasing the particle size and temperature increases the alkali silica reactivity of RHA. The mechanism for the successive pozzolanic and alkali silica reactions of RHA is theorized. Additionally, a new simple mix design method is proposed for SCHPC containing various supplementary cementitious materials, i.e. RHA, SF, fly ash and limestone powder. KW - Werkstoffkunde KW - Rice husk ash KW - Macro-mesoporous structure KW - Internal pozzolanic reactivity KW - external pozzolanic reactivity KW - Mix design method KW - Rheological property KW - Hydration and microstructure KW - Alkali silica reaction KW - Supplementary cementitious materials KW - Self-compacting high performance concrete Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20150310-23730 SN - 978-3-00-048928-0 PB - Bauhaus-Universität Weimar, F.A. Finger- Institut für Baustoffkunde, Professur Werkstoffe des Bauens CY - Weimar ER - TY - JOUR A1 - Hamdia, Khader A1 - Lahmer, Tom A1 - Nguyen-Thoi, T. A1 - Rabczuk, Timon T1 - Predicting The Fracture Toughness of PNCs: A Stochastic Approach Based on ANN and ANFIS JF - Computational Materials Science N2 - Predicting The Fracture Toughness of PNCs: A Stochastic Approach Based on ANN and ANFIS KW - Angewandte Mathematik KW - Stochastik KW - Strukturmechanik Y1 - 2015 SP - 304 EP - 313 ER - TY - JOUR A1 - Nguyen-Thanh, Nhon A1 - Valizadeh, Navid A1 - Nguyen, Manh Hung A1 - Nguyen-Xuan, Hung A1 - Zhuang, Xiaoying A1 - Areias, Pedro A1 - Zi, Goangseup A1 - Bazilevs, Yuri A1 - De Lorenzis, Laura A1 - Rabczuk, Timon T1 - An extended isogeometric thin shell analysis based on Kirchhoff-Love theory JF - Computer Methods in Applied Mechanics and Engineering N2 - An extended isogeometric thin shell analysis based on Kirchho_-Love theory KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 265 EP - 291 ER - TY - THES A1 - Schütz, Stephan T1 - Von der Faser zum Haus : Das Potential von gefalteten Wabenplatten aus Papierwerkstoffen in ihrer architektonischen Anwendung N2 - Der vorliegende Text beschreibt die intensive Erforschung von Wabenplatten aus Papierwerkstoffen, die durch Faltprozesse neue räumliche Zustände einnehmen können und somit ihr ursprüngliches Anwendungsspektrum erweitern. Die gezeigten Lösungsansätze bewegen sich dabei im Spannungsfeld von Architektur und Ingenieurbau, denn die gefalteten Bauteile sind nicht nur äußerst tragfähig sondern besitzen auch eine ästhetische Form. Die entwickelten Verfahren und Konstruktionen werden auf einem hohen architektonischen Niveau präsentiert und mit einfachen ingenieurtechnischen Methoden verifiziert. Zur Lösungsfindung werden geometrische Verfahren ebenso angewendet wie konstruktive Faustformeln und Recherchen aus Architektur und Forschung. Der Fokus der Arbeit liegt auf der Untersuchung von Faltungen in Wabenplatten. Während der Auseinandersetzung mit der Thematik erschienen jedoch viele weitere Aspekte als sehr interessant und bearbeitungswürdig. Als theoretische Grundlage dieser Arbeit werden deshalb die geschichtliche Entwicklung und die gesellschaftliche Bedeutung von Papier und Papierwerkstoffen analysiert und deren Produktionsprozesse beleuchtet. Diese Vorgehensweise ermöglicht eine Einordnung des Potentials und der Bedeutung des Werkstoffs Papier. Der Kontext der Arbeit wird dadurch gestärkt und führt zu interessanten zukünftigen Forschungsansätzen. Intensive Untersuchungen widmen sich der geometrischen Bestimmung von Faltungen in Wabenplatten aus Papierwerkstoffen sowie deren Manifestation als konstruktive Bauteile. Auch die statischen Eigenschaften der Elemente und ihr Konstruktionspotential werden erforscht und aufbereitet. Wichtige Impulse aus Forschung und Technik fließen in die Recherche der Arbeit ein und erlauben die Verortung der Ergebnisse im architektonischen Kontext. Versuchsreihen und Materialstudien an Prototypen belegen die Ergebnisse virtueller und rechnerischer Studien. Konzepte zur parametrischen Berechnung und Visualisierung der Forschungsergebnisse werden präsentiert und zeigen zukunftsfähige Planungshilfen für die Industrie auf. Etliche Testreihen zu unterschiedlichsten Abdichtungskonzepten führen zur Realisierung eines sehenswerten Experimentalbaus. Er erlaubt die dauerhafte Untersuchung der entwickelten Bauteile unter realistischen Bedingungen und bestätigt deren Leistungsfähigkeit. Dadurch wird nicht nur ein dauerhaftes Monitoring und eine Evaluierung der Leistungsdaten möglich sondern es wird auch der sichtbare Beweis erbracht, dass mit Papierwerkstoffen effiziente und hochwertige Architekturen zu realisieren sind, welche das enorme gestalterische Potential von gefalteten Wabenplatten ausnutzen. T3 - bauhaus.ifex research series - 1 KW - Tragendes Teil KW - Platte KW - Sandwichbauteil KW - Papierware KW - Wellpappe KW - Faltung KW - Architektur KW - Konstruktion KW - Bauteil KW - Leichtbau Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20181010-38044 ER - TY - THES A1 - Jia, Yue T1 - Methods based on B-splines for model representation, numerical analysis and image registration N2 - The thesis consists of inter-connected parts for modeling and analysis using newly developed isogeometric methods. The main parts are reproducing kernel triangular B-splines, extended isogeometric analysis for solving weakly discontinuous problems, collocation methods using superconvergent points, and B-spline basis in image registration applications. Each topic is oriented towards application of isogeometric analysis basis functions to ease the process of integrating the modeling and analysis phases of simulation. First, we develop reproducing a kernel triangular B-spline-based FEM for solving PDEs. We review the triangular B-splines and their properties. By definition, the triangular basis function is very flexible in modeling complicated domains. However, instability results when it is applied for analysis. We modify the triangular B-spline by a reproducing kernel technique, calculating a correction term for the triangular kernel function from the chosen surrounding basis. The improved triangular basis is capable to obtain the results with higher accuracy and almost optimal convergence rates. Second, we propose an extended isogeometric analysis for dealing with weakly discontinuous problems such as material interfaces. The original IGA is combined with XFEM-like enrichments which are continuous functions themselves but with discontinuous derivatives. Consequently, the resulting solution space can approximate solutions with weak discontinuities. The method is also applied to curved material interfaces, where the inverse mapping and the curved triangular elements are considered. Third, we develop an IGA collocation method using superconvergent points. The collocation methods are efficient because no numerical integration is needed. In particular when higher polynomial basis applied, the method has a lower computational cost than Galerkin methods. However, the positions of the collocation points are crucial for the accuracy of the method, as they affect the convergent rate significantly. The proposed IGA collocation method uses superconvergent points instead of the traditional Greville abscissae points. The numerical results show the proposed method can have better accuracy and optimal convergence rates, while the traditional IGA collocation has optimal convergence only for even polynomial degrees. Lastly, we propose a novel dynamic multilevel technique for handling image registration. It is application of the B-spline functions in image processing. The procedure considered aims to align a target image from a reference image by a spatial transformation. The method starts with an energy function which is the same as a FEM-based image registration. However, we simplify the solving procedure, working on the energy function directly. We dynamically solve for control points which are coefficients of B-spline basis functions. The new approach is more simple and fast. Moreover, it is also enhanced by a multilevel technique in order to prevent instabilities. The numerical testing consists of two artificial images, four real bio-medical MRI brain and CT heart images, and they show our registration method is accurate, fast and efficient, especially for large deformation problems. KW - Finite-Elemente-Methode KW - isogeometric methods Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20151210-24849 ER - TY - JOUR A1 - Rabizadeh, Ehsan A1 - Saboor Bagherzadeh, Amir A1 - Rabczuk, Timon T1 - Application of goal-oriented error estimation and adaptive mesh refinement on thermo-mechanical multifield problems JF - Computational Materials Science N2 - Application of goal-oriented error estimation and adaptive mesh re_nement on thermo-mechanical multi_eld problems KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 27 EP - 44 ER - TY - JOUR A1 - Ghorashi, Seyed Shahram A1 - Valizadeh, Navid A1 - Mohammadi, S. A1 - Rabczuk, Timon T1 - T-spline based XIGA for Fracture Analysis of Orthotropic Media JF - Computers & Structures N2 - T-spline based XIGA for Fracture Analysis of Orthotropic Media KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 SP - 138 EP - 146 ER - TY - THES A1 - Almasi, Ashkan T1 - Stochastic Analysis of Interfacial Effects on the Polymeric Nanocomposites N2 - The polymeric clay nanocomposites are a new class of materials of which recently have become the centre of attention due to their superior mechanical and physical properties. Several studies have been performed on the mechanical characterisation of these nanocomposites; however most of those studies have neglected the effect of the interfacial region between the clays and the matrix despite of its significant influence on the mechanical performance of the nanocomposites. There are different analytical methods to calculate the overall elastic material properties of the composites. In this study we use the Mori-Tanaka method to determine the overall stiffness of the composites for simple inclusion geometries of cylinder and sphere. Furthermore, the effect of interphase layer on the overall properties of composites is calculated. Here, we intend to get ounds for the effective mechanical properties to compare with the analytical results. Hence, we use linear displacement boundary conditions (LD) and uniform traction boundary conditions (UT) accordingly. Finally, the analytical results are compared with numerical results and they are in a good agreement. The next focus of this dissertation is a computational approach with a hierarchical multiscale method on the mesoscopic level. In other words, in this study we use the stochastic analysis and computational homogenization method to analyse the effect of thickness and stiffness of the interfacial region on the overall elastic properties of the clay/epoxy nanocomposites. The results show that the increase in interphase thickness, reduces the stiffness of the clay/epoxy naocomposites and this decrease becomes significant in higher clay contents. The results of the sensitivity analysis prove that the stiffness of the interphase layer has more significant effect on the final stiffness of nanocomposites. We also validate the results with the available experimental results from the literature which show good agreement. KW - Homogenization KW - Multiscale modeling KW - Nanocomposite materials KW - Stochastic analysis Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20150709-24339 ER -