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 - 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 - 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 - 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 - 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 - 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 - 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 - CHAP A1 - Tan, Fengjie A1 - Lahmer, Tom A1 - Siddappa, Manju Gyaraganahalll ED - Gürlebeck, Klaus ED - Lahmer, Tom T1 - SECTION OPTIMIZATION AND RELIABILITY ANALYSIS OF ARCH-TYPE DAMS INCLUDING COUPLED MECHANICAL-THERMAL AND HYDRAULIC FIELDS T2 - Digital Proceedings, International Conference on the Applications of Computer Science and Mathematics in Architecture and Civil Engineering : July 20 - 22 2015, Bauhaus-University Weimar N2 - From the design experiences of arch dams in the past, it has significant practical value to carry out the shape optimization of arch dams, which can fully make use of material characteristics and reduce the cost of constructions. Suitable variables need to be chosen to formulate the objective function, e.g. to minimize the total volume of the arch dam. Additionally a series of constraints are derived and a reasonable and convenient penalty function has been formed, which can easily enforce the characteristics of constraints and optimal design. For the optimization method, a Genetic Algorithm is adopted to perform a global search. Simultaneously, ANSYS is used to do the mechanical analysis under the coupling of thermal and hydraulic loads. One of the constraints of the newly designed dam is to fulfill requirements on the structural safety. Therefore, a reliability analysis is applied to offer a good decision supporting for matters concerning predictions of both safety and service life of the arch dam. By this, the key factors which would influence the stability and safety of arch dam significantly can be acquired, and supply a good way to take preventive measures to prolong ate the service life of an arch dam and enhances the safety of structure. KW - Angewandte Informatik KW - Angewandte Mathematik KW - Building Information Modeling KW - Computerunterstütztes Verfahren KW - Data, information and knowledge modeling in civil engineering; Function theoretic methods and PDE in engineering sciences; Mathematical methods for (robotics and) computer vision; Numerical modeling in engineering; Optimization in engineering applications Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20170314-28212 SN - 1611-4086 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 - 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 - 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 - CHAP A1 - Nguyen-Tuan, Long A1 - Lahmer, Tom A1 - Datcheva, Maria A1 - Stoimenova, Eugenia A1 - Schanz, Tom ED - Gürlebeck, Klaus ED - Lahmer, Tom T1 - PARAMETER IDENTIFICATION APPLYING IN COMPLEX THERMO-HYDRO-MECHANICAL PROBLEMS LIKE THE DESIGN OF BUFFER ELEMENTS T2 - Digital Proceedings, International Conference on the Applications of Computer Science and Mathematics in Architecture and Civil Engineering : July 20 - 22 2015, Bauhaus-University Weimar N2 - This study contributes to the identification of coupled THM constitutive model parameters via back analysis against information-rich experiments. A sampling based back analysis approach is proposed comprising both the model parameter identification and the assessment of the reliability of identified model parameters. The results obtained in the context of buffer elements indicate that sensitive parameter estimates generally obey the normal distribution. According to the sensitivity of the parameters and the probability distribution of the samples we can provide confidence intervals for the estimated parameters and thus allow a qualitative estimation on the identified parameters which are in future work used as inputs for prognosis computations of buffer elements. These elements play e.g. an important role in the design of nuclear waste repositories. KW - Angewandte Informatik KW - Angewandte Mathematik KW - Building Information Modeling KW - Computerunterstütztes Verfahren KW - Data, information and knowledge modeling in civil engineering; Function theoretic methods and PDE in engineering sciences; Mathematical methods for (robotics and) computer vision; Numerical modeling in engineering; Optimization in engineering applications Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20170314-28162 SN - 1611-4086 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 - 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 - 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 - 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 - Mortazavi, Bohayra A1 - Pereira, Luiz Felipe C. A1 - Jiang, Jin-Wu A1 - Rabczuk, Timon T1 - Modelling heat conduction in polycrystalline hexagonal boron-nitride films JF - Scientific Reports N2 - We conducted extensive molecular dynamics simulations to investigate the thermal conductivity of polycrystalline hexagonal boron-nitride (h-BN) films. To this aim, we constructed large atomistic models of polycrystalline h-BN sheets with random and uniform grain configuration. By performing equilibrium molecular dynamics (EMD) simulations, we investigated the influence of the average grain size on the thermal conductivity of polycrystalline h-BN films at various temperatures. Using the EMD results, we constructed finite element models of polycrystalline h-BN sheets to probe the thermal conductivity of samples with larger grain sizes. Our multiscale investigations not only provide a general viewpoint regarding the heat conduction in h-BN films but also propose that polycrystalline h-BN sheets present high thermal conductivity comparable to monocrystalline sheets. KW - Wärmeleitfähigkeit KW - Bornitrid KW - Finite-Elemente-Methode Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20170425-31534 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 - 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 -