@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{KaltenbacherLahmerMohretal., author = {Kaltenbacher, Barbara and Lahmer, Tom and Mohr, Marcus and Kaltenbacher, Manfred}, title = {PDE based determination of piezoelectric material tensors}, series = {European Journal of Applied Mathematics}, journal = {European Journal of Applied Mathematics}, doi = {10.25643/bauhaus-universitaet.3595}, pages = {383 -- 416}, abstract = {PDE based determination of piezoelectric material tensors.}, subject = {Angewandte Mathematik}, language = {en} } @article{KeitelKarakiLahmeretal., author = {Keitel, Holger and Karaki, Ghada and Lahmer, Tom and Nikulla, Susanne and Zabel, Volkmar}, title = {Evaluation of coupled partial models in structural engineering using graph theory and sensitivity analysis}, series = {Engineering structures}, journal = {Engineering structures}, pages = {3726 -- 3736}, abstract = {Evaluation of coupled partial models in structural engineering using graph theory and sensitivity analysis}, 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} } @article{KirichukMostBucher, author = {Kirichuk, A. and Most, Thomas and Bucher, Christian}, title = {Numerical nonlinear analysis of kinematically excited shells}, series = {International Journal for Computational Civil and Structural Engineering}, journal = {International Journal for Computational Civil and Structural Engineering}, pages = {61 -- 74}, abstract = {Numerical nonlinear analysis of kinematically excited shells}, subject = {Angewandte Mathematik}, language = {en} } @article{KnabeDatchevaLahmeretal., author = {Knabe, Tina and Datcheva, Maria and Lahmer, Tom and Cotecchia, F. and Schanz, Tom}, title = {Identification of constitutive parameters of soil using an optimization strategy and statistical analysis}, series = {Computers and Geotechnics}, journal = {Computers and Geotechnics}, pages = {143 -- 157}, abstract = {Identification of constitutive parameters of soil using an optimization strategy and statistical analysis}, subject = {Angewandte Mathematik}, language = {en} } @article{KumarSinghMishraetal., author = {Kumar, S. and Singh, I. and Mishra, B.K. and Rabczuk, Timon}, title = {Modeling and Simulation of Kinked Cracks by Virtual Node XFEM}, series = {Computer Methods in Applied Mechanics and Engineering}, journal = {Computer Methods in Applied Mechanics and Engineering}, pages = {1425 -- 1466}, abstract = {Modeling and Simulation of Kinked Cracks by Virtual Node XFEM}, subject = {Angewandte Mathematik}, language = {en} } @article{KoenkeEckardtHaefneretal., author = {K{\"o}nke, Carsten and Eckardt, Stefan and H{\"a}fner, Stefan and Luther, Torsten and Unger, J{\"o}rg F.}, title = {Multiscale simulation methods in damage prediction of brittle and ductile materials}, series = {International Journal for Multiscale Computational Engineering}, journal = {International Journal for Multiscale Computational Engineering}, pages = {17 -- 36}, abstract = {Multiscale simulation methods in damage prediction of brittle and ductile materials}, subject = {Angewandte Mathematik}, language = {en} } @article{Lahmer, author = {Lahmer, Tom}, title = {Optimal experimental design for nonlinear ill-posed problems applied to gravity dams}, series = {Inverse Problems}, journal = {Inverse Problems}, abstract = {Optimal experimental design for nonlinear ill-posed problems applied to gravity dams}, subject = {Angewandte Mathematik}, language = {en} } @article{Lahmer, author = {Lahmer, Tom}, title = {Modified Landweber iterations in a multilevel algorithm applied to inverse problems in piezoelectricity}, series = {Journal of Inverse and Ill-posed Problems}, journal = {Journal of Inverse and Ill-posed Problems}, pages = {585 -- 593}, abstract = {Modified Landweber iterations in a multilevel algorithm applied to inverse problems in piezoelectricity}, subject = {Angewandte Mathematik}, language = {en} }