@article{AmaniBagherzadehRabczuk, author = {Amani, Jafar and Bagherzadeh, Amir Saboor and Rabczuk, Timon}, title = {Error estimate and adaptive refinement in Mixed Discrete Least Squares Meshless method}, series = {Mathematical Problems in Engineering}, journal = {Mathematical Problems in Engineering}, abstract = {Error estimate and adaptive refinement in Mixed Discrete Least Squares Meshless method}, subject = {Angewandte Mathematik}, language = {en} } @article{AmiriMillanShenetal., author = {Amiri, Fatemeh and Mill{\´a}n, D. and Shen, Y. and Rabczuk, Timon and Arroyo, M.}, title = {Phase-field modeling of fracture in linear thin shells}, series = {Theoretical and Applied Fracture Mechanics}, journal = {Theoretical and Applied Fracture Mechanics}, pages = {102 -- 109}, abstract = {Phase-field modeling of fracture in linear thin shells}, subject = {Angewandte Mathematik}, language = {en} } @article{AnitescuJiaZhangetal., author = {Anitescu, Cosmin and Jia, Yue and Zhang, Yongjie and Rabczuk, Timon}, title = {An isogeometric collocation method using superconvergent points}, series = {Computer Methods in Applied Mechanics and Engineer-ing}, journal = {Computer Methods in Applied Mechanics and Engineer-ing}, pages = {1073 -- 1097}, abstract = {An isogeometric collocation method using superconvergent points}, subject = {Angewandte Mathematik}, language = {en} } @article{ArashRabczukJiang, author = {Arash, Behrouz and Rabczuk, Timon and Jiang, Jin-Wu}, title = {Nanoresonators and their applications: a state of the art review}, series = {Applied Physics Reviews}, journal = {Applied Physics Reviews}, abstract = {Nanoresonators and their applications: a state of the art review}, subject = {Angewandte Mathematik}, language = {en} } @article{AreiasPintodaCostaRabczuketal., author = {Areias, Pedro and Pinto da Costa, A. and Rabczuk, Timon and Queiros de Melo, F. J. M. and Dias-da-Costa, D.}, title = {An alternative formulation for quasi-static frictional and cohesive contact problems}, series = {Computational Mechanics}, journal = {Computational Mechanics}, pages = {807 -- 824}, abstract = {An alternative formulation for quasi-static frictional and cohesive contact problems}, subject = {Angewandte Mathematik}, language = {en} } @article{AreiasRabczuk, author = {Areias, Pedro and Rabczuk, Timon}, title = {Finite strain fracture of plates and shells with configurational forces and edge rotation}, series = {International Journal for Numerical Methods in Engineering}, journal = {International Journal for Numerical Methods in Engineering}, abstract = {Finite strain fracture of plates and shells with configurational forces and edge rotation}, subject = {Angewandte Mathematik}, language = {en} } @article{AreiasRabczukBarbosa, author = {Areias, Pedro and Rabczuk, Timon and Barbosa, J.I.}, title = {The extended unsymmetric frontal solution for multiple-point constraints}, series = {Engineering Computations}, journal = {Engineering Computations}, abstract = {The extended unsymmetric frontal solution for multiple-point constraints}, subject = {Angewandte Mathematik}, language = {en} } @article{AreiasRabczukCamanho, author = {Areias, Pedro and Rabczuk, Timon and Camanho, P.P.}, title = {Finite strain fracture of 2D problems with injected anisotropic softening elements}, series = {Theoretical and Applied Fracture Mechanics}, journal = {Theoretical and Applied Fracture Mechanics}, abstract = {Finite strain fracture of 2D problems with injected anisotropic softening elements}, subject = {Angewandte Mathematik}, language = {en} } @article{AreiasRabczukCesardeSaetal., author = {Areias, Pedro and Rabczuk, Timon and Cesar de Sa, J.M. and Garcao, J.E.}, title = {Finite strain quadrilateral shell using least-squares _t of relative Lagrangian in-plane strains}, series = {Finite Elements in Analysis and Design}, journal = {Finite Elements in Analysis and Design}, pages = {26 -- 40}, abstract = {Finite strain quadrilateral shell using least-squares _t of relative Lagrangian in-plane strains}, subject = {Angewandte Mathematik}, language = {en} } @article{AreiasRabczukCesardeSaetal., author = {Areias, Pedro and Rabczuk, Timon and Cesar de Sa, J.M. and Jorge, R.N.}, title = {A semi-implicit _nite strain shell algorithm using in-plane strains based on least-squares}, series = {Computational Mechanics}, journal = {Computational Mechanics}, abstract = {A semi-implicit _nite strain shell algorithm using in-plane strains based on least-squares}, subject = {Angewandte Mathematik}, language = {en} } @article{AreiasRabczukDiasdaCosta, author = {Areias, Pedro and Rabczuk, Timon and Dias-da-Costa, D.}, title = {Assumed-metric spherically-interpolated quadrilateral shell element}, series = {Finite Elements in Analysis and Design}, journal = {Finite Elements in Analysis and Design}, pages = {53 -- 67}, abstract = {Assumed-metric spherically-interpolated quadrilateral shell element}, subject = {Angewandte Mathematik}, language = {en} } @article{AreiasRabczukDiasdaCosta, author = {Areias, Pedro and Rabczuk, Timon and Dias-da-Costa, D.}, title = {Asymmetric Shell Elements Based on a Corrected Updated-Lagrangian Approach}, series = {CMES: Computer Modeling in Engineering and Sciences}, journal = {CMES: Computer Modeling in Engineering and Sciences}, abstract = {Asymmetric Shell Elements Based on a Corrected Updated-Lagrangian Approach}, 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{AreiasRabczukQueirosdeMeloetal., author = {Areias, Pedro and Rabczuk, Timon and Queiros de Melo, F. J. M. and Cesar de Sa, J.M.}, title = {Coulomb frictional contact by explicit projection in the cone for _nite displacement quasi-static problems}, series = {Computational Mechanics}, journal = {Computational Mechanics}, pages = {57 -- 72}, abstract = {Coulomb frictional contact by explicit projection in the cone for _nite displacement quasi-static problems}, subject = {Angewandte Mathematik}, language = {en} } @article{BakarKramerBordasetal., author = {Bakar, I. and Kramer, O. and Bordas, St{\´e}phane Pierre Alain and Rabczuk, Timon}, title = {Optimization of Elastic Properties and Weaving Patterns of Woven Composites}, series = {Composite Structures}, journal = {Composite Structures}, pages = {575 -- 591}, abstract = {Optimization of Elastic Properties and Weaving Patterns of Woven Composites}, subject = {Angewandte Mathematik}, language = {en} } @article{BeexKerfridenRabczuketal., author = {Beex, L.A.A. and Kerfriden, Pierre and Rabczuk, Timon and Bordas, St{\´e}phane Pierre Alain}, title = {Quasicontinuum-based multiscale approaches for plate-like beam lattices experiencing in-plane and out-of-plane deformation}, series = {Computer Methods in Applied Mechanics and Engineering}, journal = {Computer Methods in Applied Mechanics and Engineering}, abstract = {Quasicontinuum-based multiscale approaches for plate-like beam lattices experiencing in-plane and out-of-plane deformation}, subject = {Angewandte Mathematik}, language = {en} } @article{BenZhaoZhangetal., author = {Ben, S. and Zhao, Jun-Hua and Zhang, Yancheng and Rabczuk, Timon}, title = {The interface strength and debonding for composite structures: review and recent developments}, series = {Composite Structures}, journal = {Composite Structures}, abstract = {The interface strength and debonding for composite structures: review and recent developments}, subject = {Angewandte Mathematik}, language = {en} } @article{BudarapuGracieBordasetal., author = {Budarapu, Pattabhi Ramaiah and Gracie, Robert and Bordas, St{\´e}phane Pierre Alain and Rabczuk, Timon}, title = {An adaptive multiscale method for quasi-static crack growth}, series = {Computational Mechanics}, journal = {Computational Mechanics}, doi = {10.1007/s00466-013-0952-6}, pages = {1129 -- 1148}, abstract = {This paper proposes an adaptive atomistic- continuum numerical method for quasi-static crack growth. The phantom node method is used to model the crack in the continuum region and a molecular statics model is used near the crack tip. To ensure self-consistency in the bulk, a virtual atom cluster is used to model the material of the coarse scale. The coupling between the coarse scale and fine scale is realized through ghost atoms. The ghost atom positions are interpolated from the coarse scale solution and enforced as boundary conditions on the fine scale. The fine scale region is adaptively enlarged as the crack propagates and the region behind the crack tip is adaptively coarsened. An energy criterion is used to detect the crack tip location. The triangular lattice in the fine scale region corresponds to the lattice structure of the (111) plane of an FCC crystal. The Lennard-Jones potential is used to model the atom-atom interactions. The method is implemented in two dimensions. The results are compared to pure atomistic simulations; they show excellent agreement.}, subject = {Angewandte Mathematik}, language = {en} } @article{BudarapuGracieYangetal., author = {Budarapu, Pattabhi Ramaiah and Gracie, Robert and Yang, Shih-Wei and Zhuang, Xiaoying and Rabczuk, Timon}, title = {Efficient Coarse Graining in Multiscale Modeling of Fracture}, series = {Theoretical and Applied Fracture Mechanics}, journal = {Theoretical and Applied Fracture Mechanics}, pages = {126 -- 143}, abstract = {Efficient Coarse Graining in Multiscale Modeling of Fracture}, subject = {Angewandte Mathematik}, language = {en} } @article{BudarapuNarayanaRammohanetal., author = {Budarapu, Pattabhi Ramaiah and Narayana, T.S.S. and Rammohan, B. and Rabczuk, Timon}, title = {Directionality of sound radiation from rectangular panels}, series = {Applied Acoustics}, journal = {Applied Acoustics}, pages = {128 -- 140}, abstract = {Directionality of sound radiation from rectangular panels}, subject = {Angewandte Mathematik}, language = {en} } @article{ChauDinhZiLeeetal., author = {Chau-Dinh, T. and Zi, Goangseup and Lee, P.S. and Song, Jeong-Hoon and Rabczuk, Timon}, title = {Phantom-node method for shell models with arbitrary cracks}, series = {Computers \& Structures}, journal = {Computers \& Structures}, doi = {10.1016/j.compstruc.2011.10.021}, abstract = {A phantom-node method is developed for three-node shell elements to describe cracks. This method can treat arbitrary cracks independently of the mesh. The crack may cut elements completely or partially. Elements are overlapped on the position of the crack, and they are partially integrated to implement the discontinuous displacement across the crack. To consider the element containing a crack tip, a new kinematical relation between the overlapped elements is developed. There is no enrichment function for the discontinuous displacement field. Several numerical examples are presented to illustrate the proposed method.}, subject = {Angewandte Mathematik}, language = {en} } @article{ChenNguyenThanhNguyenXuanetal., author = {Chen, Lei and Nguyen-Thanh, Nhon and Nguyen-Xuan, Hung and Rabczuk, Timon and Bordas, St{\´e}phane Pierre Alain and Limbert, Georges}, title = {Explicit finite deformation analysis of isogeometric membranes}, series = {Computer Methods in Applied Mechanics and Engineering}, journal = {Computer Methods in Applied Mechanics and Engineering}, pages = {104 -- 130}, abstract = {Explicit finite deformation analysis of isogeometric membranes}, 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{GhasemiBrighentiZhuangetal., author = {Ghasemi, Hamid and Brighenti, Roberto and Zhuang, Xiaoying and Muthu, Jacob and Rabczuk, Timon}, title = {Optimum fiber content and distribution in fiber-reinforced solids using a reliability and NURBS based sequential optimization approach}, series = {Structural and Multidisciplinary Optimization}, journal = {Structural and Multidisciplinary Optimization}, pages = {99 -- 112}, abstract = {Optimum _ber content and distribution in _ber-reinforced solids using a reliability and NURBS based sequential optimization approach}, subject = {Angewandte Mathematik}, language = {en} } @article{GhasemiBrighentiZhuangetal., author = {Ghasemi, Hamid and Brighenti, Roberto and Zhuang, Xiaoying and Muthu, Jacob and Rabczuk, Timon}, title = {Optimization of fiber distribution in fiber reinforced composite by using NURBS functions}, series = {Computational Materials Science}, journal = {Computational Materials Science}, pages = {463 -- 473}, abstract = {Optimization of fiber distribution in fiber reinforced composite by using NURBS functions}, subject = {Angewandte Mathematik}, language = {en} } @article{GhasemiBrighentiZhuangetal., author = {Ghasemi, Hamid and Brighenti, Roberto and Zhuang, Xiaoying and Muthu, Jacob and Rabczuk, Timon}, title = {Sequential reliability based optimization of fiber content and dispersion in fiber reinforced composite by using NURBS finite elements}, series = {Structural and Multidisciplinary Optimization}, journal = {Structural and Multidisciplinary Optimization}, abstract = {Sequential reliability based optimization of fiber content and dispersion in fiber reinforced composite by using NURBS finite elements}, subject = {Angewandte Mathematik}, language = {en} } @article{GhasemiKerfridenBordasetal., author = {Ghasemi, Hamid and Kerfriden, Pierre and Bordas, St{\´e}phane Pierre Alain and Muthu, Jacob and Zi, Goangseup and Rabczuk, Timon}, title = {Interfacial shear stress optimization in sandwich beams with polymeric core using nonuniform distribution of reinforcing ingredients}, series = {Composite Structures}, journal = {Composite Structures}, pages = {221 -- 230}, abstract = {Interfacial shear stress optimization in sandwich beams with polymeric core using nonuniform distribution of reinforcing ingredients}, subject = {Angewandte Mathematik}, language = {en} } @article{GhasemiRafieeZhuangetal., author = {Ghasemi, Hamid and Rafiee, Roham and Zhuang, Xiaoying and Muthu, Jacob and Rabczuk, Timon}, title = {Uncertainties propagation in metamodel-based probabilistic optimization of CNT/polymer composite structure using stochastic multi-scale modeling}, series = {Computational Materials Science}, journal = {Computational Materials Science}, pages = {295 -- 305}, abstract = {Uncertainties propagation in metamodel-based probabilistic optimization of CNT/polymer composite structure using stochastic multi-scale modeling}, subject = {Angewandte Mathematik}, language = {en} } @article{GhorashiLahmerBagherzadehetal., author = {Ghorashi, Seyed Shahram and Lahmer, Tom and Bagherzadeh, Amir Saboor and Zi, Goangseup and Rabczuk, Timon}, title = {A stochastic computational method based on goal-oriented error estimation for heterogeneous geological materials}, series = {Engineering Geology}, journal = {Engineering Geology}, abstract = {A stochastic computational method based on goal-oriented error estimation for heterogeneous geological materials}, subject = {Angewandte Mathematik}, language = {en} } @article{GhorashiValizadehMohammadietal., author = {Ghorashi, Seyed Shahram and Valizadeh, Navid and Mohammadi, S. and Rabczuk, Timon}, title = {T-spline based XIGA for Fracture Analysis of Orthotropic Media}, series = {Computers \& Structures}, journal = {Computers \& Structures}, pages = {138 -- 146}, abstract = {T-spline based XIGA for Fracture Analysis of Orthotropic Media}, subject = {Angewandte Mathematik}, language = {en} } @article{HamdiaLahmerNguyenThoietal., author = {Hamdia, Khader and Lahmer, Tom and Nguyen-Thoi, T. and Rabczuk, Timon}, title = {Predicting The Fracture Toughness of PNCs: A Stochastic Approach Based on ANN and ANFIS}, series = {Computational Materials Science}, journal = {Computational Materials Science}, pages = {304 -- 313}, abstract = {Predicting The Fracture Toughness of PNCs: A Stochastic Approach Based on ANN and ANFIS}, subject = {Angewandte Mathematik}, language = {en} } @article{IlyaniAkmarLahmerBordasetal., author = {Ilyani Akmar, A.B. and Lahmer, Tom and Bordas, St{\´e}phane Pierre Alain and Beex, L.A.A. and Rabczuk, Timon}, title = {Uncertainty quantification of dry woven fabrics: A sensitivity analysis on material properties}, series = {Composite Structures}, journal = {Composite Structures}, doi = {10.1016/j.compstruct.2014.04.014}, pages = {1 -- 17}, abstract = {Uncertainty quantification of dry woven fabrics: A sensitivity analysis on material properties}, subject = {Angewandte Mathematik}, language = {en} } @article{JamshidianRabczuk, author = {Jamshidian, M. and Rabczuk, Timon}, title = {Phase field modelling of stressed grain growth: Analytical study and the effect of microstructural length scale}, series = {Journal of Computational Physics}, journal = {Journal of Computational Physics}, pages = {23 -- 35}, abstract = {Phase field modelling of stressed grain growth: Analytical study and the effect of microstructural length scale}, subject = {Angewandte Mathematik}, language = {en} } @article{JiaAnitescuGhorashietal., author = {Jia, Yue and Anitescu, Cosmin and Ghorashi, Seyed Shahram and Rabczuk, Timon and Dias-da-Costa, D.}, title = {Extended Isogeometric Analysis for Material Interface Problems}, series = {Journal of Applied Mathematics}, journal = {Journal of Applied Mathematics}, abstract = {Extended Isogeometric Analysis for Material Interface Problems}, subject = {Angewandte Mathematik}, language = {en} } @article{JiaZhangRabczuk, author = {Jia, Yue and Zhang, Yongjie and Rabczuk, Timon}, title = {A Novel Dynamic Multilevel Technique for Image Registration}, series = {Computers and Mathematics with Applications}, journal = {Computers and Mathematics with Applications}, abstract = {A Novel Dynamic Multilevel Technique for Image Registration}, subject = {Angewandte Mathematik}, language = {en} } @article{JiangParkGalletal., author = {Jiang, Jin-Wu and Park, Harold S. and Gall, K. and Leach, A. and Rabczuk, Timon}, title = {A Surface Stacking Fault Energy Approach to Predicting Defect Nucleation in Surface-Dominated Nanostructures}, series = {Journal of the Mechanics and Physics of Solids}, journal = {Journal of the Mechanics and Physics of Solids}, abstract = {A Surface Stacking Fault Energy Approach to Predicting Defect Nucleation in Surface-Dominated Nanostructures}, 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} } @article{JiangParkRabczuk, author = {Jiang, Jin-Wu and Park, Harold S. and Rabczuk, Timon}, title = {MoS2 nanoresonators: intrinsically better than graphene?}, series = {Nanoscale}, journal = {Nanoscale}, pages = {3618 -- 3625}, abstract = {MoS2 nanoresonators: intrinsically better than graphene?}, subject = {Angewandte Mathematik}, language = {en} } @article{JiangRabczuk, author = {Jiang, Jin-Wu and Rabczuk, Timon}, title = {Mechanical Oscillation of Kinked Silicon Nanowires: a Natural Nanoscale Spring}, series = {Applied Physics Letters}, journal = {Applied Physics Letters}, abstract = {Mechanical Oscillation of Kinked Silicon Nanowires: a Natural Nanoscale Spring}, subject = {Angewandte Mathematik}, language = {en} } @article{JiangRabczuk, author = {Jiang, Jin-Wu and Rabczuk, Timon}, title = {Modulation of Thermal Conductivity in kinked Silicon Nanowires: Phonon interchanging and pinching effects or Reduction of thermal conductivity in kinked silicon nanowire superlattices}, series = {Nano Letters}, journal = {Nano Letters}, abstract = {Modulation of Thermal Conductivity in kinked Silicon Nanowires: Phonon interchanging and pinching effects or Reduction of thermal conductivity in kinked silicon nanowire superlattices}, subject = {Angewandte Mathematik}, language = {en} } @article{JiangRabczukPark, author = {Jiang, Jin-Wu and Rabczuk, Timon and Park, Harold S.}, title = {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}, series = {Nanoscale}, journal = {Nanoscale}, doi = {10.1039/C4NR07341J}, abstract = {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.}, 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{JiangWangRabczuk, author = {Jiang, Jin-Wu and Wang, Bing-Shen and Rabczuk, Timon}, title = {Why twisting angles are diverse in graphene Moir'e patterns?}, series = {Journal of Applied Physics}, journal = {Journal of Applied Physics}, abstract = {Why twisting angles are diverse in graphene Moir'e patterns?}, subject = {Angewandte Mathematik}, language = {en} } @article{JiangWangRabczuk, author = {Jiang, Jin-Wu and Wang, Bing-Shen and Rabczuk, Timon}, title = {Phonon modes in single-walled molybdenum disulphide nanotubes: lattice dynamics calculation and molecular dynamics simulation}, series = {Nanotechnology}, journal = {Nanotechnology}, abstract = {Phonon modes in single-walled molybdenum disulphide nanotubes: lattice dynamics calculation and molecular dynamics simulation}, subject = {Angewandte Mathematik}, language = {en} } @article{JiangZhaoRabczuk, author = {Jiang, Jin-Wu and Zhao, Jun-Hua and Rabczuk, Timon}, title = {Size-Sensitive Young's Modulus of Kinked Silicon Nanowires}, series = {Nanotechnology}, journal = {Nanotechnology}, doi = {10.1088/0957-4484/24/18/185702}, abstract = {We perform both classical molecular dynamics simulations and beam model calculations to investigate the Young's modulus of kinked silicon nanowires (KSiNWs). The Young's modulus is found to be highly sensitive to the arm length of the kink and is essentially inversely proportional to the arm length. The mechanism underlying the size dependence is found to be the interplay between the kink angle potential and the arm length potential, where we obtain an analytic relationship between the Young's modulus and the arm length of the KSiNW. Our results provide insight into the application of this novel building block in nanomechanical devices.}, 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{JoshiHildebrandAloraieretal., author = {Joshi, Suraj and Hildebrand, J{\"o}rg and Aloraier, Abdulkareem S. and Rabczuk, Timon}, title = {Characterization of material properties and heat source parameters in welding simulation of two overlapping beads on a substrate plate}, series = {Computational Materials Science}, journal = {Computational Materials Science}, doi = {10.1016/j.commatsci.2012.11.029}, pages = {559 -- 565}, abstract = {This paper presents several aspects of characterization of welding heat source parameters in Goldak's double ellipsoidal model using Sysweld simulation of welding of two overlapping beads on a substrate steel plate. The overlap percentages ranged from 40\% to 80\% in increments of 10\%. The new material properties of the fused metal were characterized using Weldware and their continuous cooling transformation curves. The convective and radiative heat transfer coefficients as well as the cooling time t8/5 were estimated using numerical formulations from relevant standards. The effects of the simulation geometry and mesh discretization were evaluated in terms of the factor F provided in Sysweld. Eventually, the parameters of Goldak's double ellipsoidal heat source model were determined for the welding simulation of overlapping beads on the plate and the simulated bead geometry, extent of the molten pool and the HAZ were compared with the macrographs of cross-sections of the experimental weldments. The results showed excellent matching, thus verifying this methodology for determination of welding heat source parameters.}, subject = {Angewandte Mathematik}, language = {en} } @article{KerfridenGouryRabczuketal., author = {Kerfriden, Pierre and Goury, O. and Rabczuk, Timon and Bordas, St{\´e}phane Pierre Alain}, title = {A partitioned model order reduction approach to rationalise computational expenses in nonlinear fracture mechanics}, series = {Computer Methods in Applied Mechanics and Engineering}, journal = {Computer Methods in Applied Mechanics and Engineering}, pages = {169 -- 188}, abstract = {A partitioned model order reduction approach to rationalise computational expenses in nonlinear fracture mechanics}, subject = {Angewandte Mathematik}, language = {en} } @article{KerfridenSchmidtRabczuketal., author = {Kerfriden, Pierre and Schmidt, K.M. and Rabczuk, Timon and Bordas, St{\´e}phane Pierre Alain}, title = {Statistical extraction of process zones and representative subspaces in fracture of random composites}, series = {International Journal for Multiscale Computational Engineering}, journal = {International Journal for Multiscale Computational Engineering}, abstract = {Statistical extraction of process zones and representative subspaces in fracture of random composites}, subject = {Angewandte Mathematik}, language = {en} } @article{KhosravaniRabczuk, author = {Khosravani, M.R. and Rabczuk, Timon}, title = {Determiniation of shear modulus for double and multi-walled Carbon Nanotubes}, series = {Mechanics of Composite Materials}, journal = {Mechanics of Composite Materials}, abstract = {Determiniation of shear modulus for double and multi-walled Carbon Nanotubes}, subject = {Angewandte Mathematik}, language = {en} }