@article{NguyenVinhBakarMsekhetal., author = {Nguyen-Vinh, H. and Bakar, I. and Msekh, Mohammed Abdulrazzak and Song, Jeong-Hoon and Muthu, Jacob and Zi, Goangseup and Le, P. and Bordas, St{\´e}phane Pierre Alain and Simpson, R. and Natarajan, S. and Lahmer, Tom and Rabczuk, Timon}, title = {Extended Finite Element Method for Dynamic Fracture of Piezo-Electric Materials}, series = {Engineering Fracture Mechanics}, journal = {Engineering Fracture Mechanics}, doi = {10.1016/j.engfracmech.2012.04.025}, pages = {19 -- 31}, abstract = {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.}, subject = {Angewandte Mathematik}, language = {en} } @article{AreiasRabczukDiasdaCostaetal., author = {Areias, Pedro and Rabczuk, Timon and Dias-da-Costa, D. and Piresh, E.B.}, title = {Implicit solutions with consistent additive and multiplicative components}, series = {Finite Elements in Analysis and Design}, journal = {Finite Elements in Analysis and Design}, doi = {10.1016/j.finel.2012.03.007}, pages = {15 -- 31}, abstract = {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.}, subject = {Angewandte Mathematik}, language = {en} } @article{JiangWangRabczuk, author = {Jiang, Jin-Wu and Wang, Bing-Shen and Rabczuk, Timon}, title = {Acoustic and breathing phonon modes in bilayer graphene with Moire-acute patterns}, series = {Applied Physics Letters}, journal = {Applied Physics Letters}, doi = {10.1063/1.4735246}, abstract = {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.}, subject = {Angewandte Mathematik}, language = {en} } @article{JiangZhaoZhouetal., author = {Jiang, Jin-Wu and Zhao, Jun-Hua and Zhou, K. and Rabczuk, Timon}, title = {Superior thermal conductivity and extremely high mechanical strength in polyethylene chains from ab initio calculation}, series = {Journal of Applied Physics}, journal = {Journal of Applied Physics}, doi = {10.1063/1.4729489}, abstract = {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.}, subject = {Angewandte Mathematik}, language = {en} } @article{JiangParkRabczuk, author = {Jiang, Jin-Wu and Park, Harold S. and Rabczuk, Timon}, title = {Enhancing the mass sensitivity of graphene nanoresonators via nonlinear oscillations: The effective strain mechanism}, series = {Nanotechnology}, journal = {Nanotechnology}, abstract = {Enhancing the mass sensitivity of graphene nanoresonators via nonlinear oscillations: The effective strain mechanism}, subject = {Angewandte Mathematik}, language = {en} } @phdthesis{Schrader, author = {Schrader, Kai}, title = {Hybrid 3D simulation methods for the damage analysis of multiphase composites}, doi = {10.25643/bauhaus-universitaet.2059}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20131021-20595}, school = {Bauhaus-Universit{\"a}t Weimar}, pages = {174}, abstract = {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.}, subject = {high-performance computing}, language = {en} } @article{NatarajanChakrabortyThangaveletal., author = {Natarajan, S. and Chakraborty, S. and Thangavel, M. and Bordas, St{\´e}phane Pierre Alain and Rabczuk, Timon}, title = {Size dependent free flexural vibration behavior of functionally graded nanoplates}, series = {Computational Materials Science}, journal = {Computational Materials Science}, pages = {74 -- 80}, abstract = {Size dependent free flexural vibration behavior of functionally graded nanoplates}, subject = {Angewandte Mathematik}, language = {en} } @article{ChenRabczukLiuetal., author = {Chen, Lei and Rabczuk, Timon and Liu, G.R. and Zeng, K.Y. and Kerfriden, Pierre and Bordas, St{\´e}phane Pierre Alain}, title = {Extended finite element method with edge-based strain smoothing (ESm-XFEM) for linear elastic crack growth}, series = {Computer Methods in Applied Mechanics and Engineering}, journal = {Computer Methods in Applied Mechanics and Engineering}, doi = {10.1016/j.cma.2011.08.013}, abstract = {This paper presents a strain smoothing procedure for the extended finite element method (XFEM). The resulting "edge-based" smoothed extended finite element method (ESm-XFEM) is tailored to linear elastic fracture mechanics and, in this context, to outperform the standard XFEM. In the XFEM, the displacement-based approximation is enriched by the Heaviside and asymptotic crack tip functions using the framework of partition of unity. This eliminates the need for the mesh alignment with the crack and re-meshing, as the crack evolves. Edge-based smoothing (ES) relies on a generalized smoothing operation over smoothing domains associated with edges of simplex meshes, and produces a softening effect leading to a close-to-exact stiffness, "super-convergence" and "ultra-accurate" solutions. The present method takes advantage of both the ES-FEM and the XFEM. Thanks to the use of strain smoothing, the subdivision of elements intersected by discontinuities and of integrating the (singular) derivatives of the approximation functions is suppressed via transforming interior integration into boundary integration. Numerical examples show that the proposed method improves significantly the accuracy of stress intensity factors and achieves a near optimal convergence rate in the energy norm even without geometrical enrichment or blending correction.}, subject = {Angewandte Mathematik}, language = {en} } @article{SimpsonBordasTrevelyanetal., author = {Simpson, R. and Bordas, St{\´e}phane Pierre Alain and Trevelyan, J. and Kerfriden, Pierre and Rabczuk, Timon}, title = {An Isogeometric Boundary Element Method for elastostatic analysis}, series = {Computer Methods in Applied Mechanics and Engineering}, journal = {Computer Methods in Applied Mechanics and Engineering}, doi = {10.1016/j.cma.2011.08.008}, abstract = {The concept of isogeometric analysis, where functions that are used to describe geometry in CAD software are used to approximate the unknown fields in numerical simulations, has received great attention in recent years. The method has the potential to have profound impact on engineering design, since the task of meshing, which in some cases can add significant overhead, has been circumvented. Much of the research effort has been focused on finite element implementations of the isogeometric concept, but at present, little has been seen on the application to the Boundary Element Method. The current paper proposes an Isogeometric Boundary Element Method (BEM), which we term IGABEM, applied to two-dimensional elastostatic problems using Non-Uniform Rational B-Splines (NURBS). We find it is a natural fit with the isogeometric concept since both the NURBS approximation and BEM deal with quantities entirely on the boundary. The method is verified against analytical solutions where it is seen that superior accuracies are achieved over a conventional quadratic isoparametric BEM implementation.}, subject = {Angewandte Mathematik}, language = {en} } @article{ThaiNguyenXuanNguyenThanhetal., author = {Thai, Chien H. and Nguyen-Xuan, Hung and Nguyen-Thanh, Nhon and Le, T.H. and Nguyen-Thoi, T. and Rabczuk, Timon}, title = {Static, free vibration and buckling analysis of laminated composite Reissner-Mindlin plates using NURBS-based isogeometric approach}, series = {International Journal for Numerical Methods in Engineering}, journal = {International Journal for Numerical Methods in Engineering}, doi = {10.1002/nme.4282}, pages = {571 -- 603}, abstract = {This paper presents a novel numerical procedure based on the framework of isogeometric analysis for static, free vibration, and buckling analysis of laminated composite plates using the first-order shear deformation theory. The isogeometric approach utilizes non-uniform rational B-splines to implement for the quadratic, cubic, and quartic elements. Shear locking problem still exists in the stiffness formulation, and hence, it can be significantly alleviated by a stabilization technique. Several numerical examples are presented to show the performance of the method, and the results obtained are compared with other available ones.}, subject = {Angewandte Mathematik}, language = {en} }