@article{NguyenXuanRabczukNguyenThanhetal., author = {Nguyen-Xuan, Hung and Rabczuk, Timon and Nguyen-Thanh, Nhon and Nguyen-Thoi, T. and Bordas, St{\´e}phane Pierre Alain}, title = {A node-based smoothed finite element method (NS-FEM) for analysis of Reissner-Mindlin plates}, series = {Computational Mechanics}, journal = {Computational Mechanics}, pages = {679 -- 701}, abstract = {A node-based smoothed finite element method (NS-FEM) for analysis of Reissner-Mindlin plates}, subject = {Angewandte Mathematik}, language = {en} } @article{NguyenXuanNguyenBordasetal., author = {Nguyen-Xuan, Hung and Nguyen, Hiep Vinh and Bordas, St{\´e}phane Pierre Alain and Rabczuk, Timon and Duflot, Marc}, title = {A cell-based smoothed finite element method for three dimensional solid structures}, series = {KSCE Journal of Civil Engineering}, journal = {KSCE Journal of Civil Engineering}, doi = {10.1007/s12205-012-1515-7}, pages = {1230 -- 1242}, abstract = {This paper extends further the strain smoothing technique in finite elements to 8-noded hexahedral elements (CS-FEM-H8). The idea behind the present method is similar to the cell-based smoothed 4-noded quadrilateral finite elements (CS-FEM-Q4). In CSFEM, the smoothing domains are created based on elements, and each element can be further subdivided into 1 or several smoothing cells. It is observed that: 1) The CS-FEM using a single smoothing cell can produce higher stress accuracy, but insufficient rank and poor displacement accuracy; 2) The CS-FEM using several smoothing cells has proper rank, good displacement accuracy, but lower stress accuracy, especially for nearly incompressible and bending dominant problems. We therefore propose 1) an extension of strain smoothing to 8-noded hexahedral elements and 2) an alternative CS-FEM form, which associates the single smoothing cell issue with multi-smoothing cell one via a stabilization technique. Several numerical examples are provided to show the reliability and accuracy of the present formulation.}, subject = {Angewandte Mathematik}, language = {en} } @article{NguyenXuanLiuBordasetal., author = {Nguyen-Xuan, Hung and Liu, G.R. and Bordas, St{\´e}phane Pierre Alain and Natarajan, S. and Rabczuk, Timon}, title = {An adaptive singular ES-FEM for mechanics problems with singular field of arbitrary order}, series = {Computer Methods in Applied Mechanics and Engineering}, journal = {Computer Methods in Applied Mechanics and Engineering}, pages = {252 -- 273}, abstract = {An adaptive singular ES-FEM for mechanics problems with singular field of arbitrary order}, subject = {Angewandte Mathematik}, language = {en} } @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{NguyenThoiRabczukLamPhatetal., author = {Nguyen-Thoi, T. and Rabczuk, Timon and Lam-Phat, T. and Ho-Huu, V. and Phung-Van, P.}, title = {Free vibration analysis of cracked Mindlin plate using an extended cell-based smoothed discrete shear gap method (XCS-DSG3)}, series = {Theoretical and Applied Fracture Mechanics}, journal = {Theoretical and Applied Fracture Mechanics}, abstract = {Free vibration analysis of cracked Mindlin plate using an extended cell-based smoothed discrete shear gap method (XCS-DSG3)}, subject = {Angewandte Mathematik}, language = {en} } @article{NguyenThoiPhungVanRabczuketal., author = {Nguyen-Thoi, T. and Phung-Van, P. and Rabczuk, Timon and Nguyen-Xuan, Hung and Le-Van, C.}, title = {An application of the ES-FEM in solid domain for dynamic analysis of 2D fluid-solid interaction problems}, series = {International Journal of Computational Methods}, journal = {International Journal of Computational Methods}, abstract = {An application of the ES-FEM in solid domain for dynamic analysis of 2D fluid-solid interaction problems}, subject = {Angewandte Mathematik}, language = {en} } @article{NguyenThoiPhungVanRabczuketal., author = {Nguyen-Thoi, T. and Phung-Van, P. and Rabczuk, Timon and Nguyen-Xuan, Hung and Le-Van, C.}, title = {Free and forced vibration analysis using the n-sided polygonal cell-based smoothed finite element method (nCS-FEM)}, series = {International Journal of Computational Methods}, journal = {International Journal of Computational Methods}, abstract = {Free and forced vibration analysis using the n-sided polygonal cell-based smoothed finite element method (nCS-FEM)}, subject = {Angewandte Mathematik}, language = {en} } @article{NguyenThanhValizadehNguyenetal., author = {Nguyen-Thanh, Nhon and Valizadeh, Navid and Nguyen, Manh Hung and Nguyen-Xuan, Hung and Zhuang, Xiaoying and Areias, Pedro and Zi, Goangseup and Bazilevs, Yuri and De Lorenzis, Laura and Rabczuk, Timon}, title = {An extended isogeometric thin shell analysis based on Kirchhoff-Love theory}, series = {Computer Methods in Applied Mechanics and Engineering}, journal = {Computer Methods in Applied Mechanics and Engineering}, pages = {265 -- 291}, abstract = {An extended isogeometric thin shell analysis based on Kirchho_-Love theory}, subject = {Angewandte Mathematik}, language = {en} } @article{NguyenThanhThaiHoangNguyenXuanetal., author = {Nguyen-Thanh, Nhon and Thai-Hoang, C. and Nguyen-Xuan, Hung and Rabczuk, Timon}, title = {A smoothed finite element method for the static and free vibration analysis of shells}, series = {Journal of Civil Engineering and Architecture}, journal = {Journal of Civil Engineering and Architecture}, pages = {13 -- 25}, abstract = {A smoothed finite element method for the static and free vibration analysis of shells}, subject = {Angewandte Mathematik}, language = {en} } @article{NguyenThanhRabczukNguyenXuanetal., author = {Nguyen-Thanh, Nhon and Rabczuk, Timon and Nguyen-Xuan, Hung and Bordas, St{\´e}phane Pierre Alain}, title = {An alternative alpha finite element method with stabilized discrete shear gap technique for analysis of Mindlin-Reissner plates}, series = {Finite Elements in Analysis \& Design}, journal = {Finite Elements in Analysis \& Design}, pages = {519 -- 535}, abstract = {An alternative alpha finite element method with stabilized discrete shear gap technique for analysis of Mindlin-Reissner plates}, subject = {Angewandte Mathematik}, language = {en} } @article{NguyenThanhRabczukNguyenXuanetal., author = {Nguyen-Thanh, Nhon and Rabczuk, Timon and Nguyen-Xuan, Hung and Bordas, St{\´e}phane Pierre Alain}, title = {An alternative alpha finite element method (A?FEM) free and forced vibration analysis of solids using triangular meshes}, series = {Journal of Computational and Applied Mathematics}, journal = {Journal of Computational and Applied Mathematics}, pages = {2112 -- 2135}, abstract = {An alternative alpha finite element method (A?FEM) free and forced vibration analysis of solids using triangular meshes}, subject = {Angewandte Mathematik}, language = {en} } @inproceedings{NguyenThanhRabczuk, author = {Nguyen-Thanh, Nhon and Rabczuk, Timon}, title = {A SMOOTHED FINITE ELEMENT METHOD FOR THE STATIC AND FREE VIBRATION ANALYSIS OF SHELLS}, editor = {G{\"u}rlebeck, Klaus and K{\"o}nke, Carsten}, organization = {Bauhaus-Universit{\"a}t Weimar}, issn = {1611-4086}, doi = {10.25643/bauhaus-universitaet.2877}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20170314-28777}, pages = {24}, abstract = {A four-node quadrilateral shell element with smoothed membrane-bending based on Mindlin-Reissner theory is proposed. The element is a combination of a plate bending and membrane element. It is based on mixed interpolation where the bending and membrane stiffness matrices are calculated on the boundaries of the smoothing cells while the shear terms are approximated by independent interpolation functions in natural coordinates. The proposed element is robust, computationally inexpensive and free of locking. Since the integration is done on the element boundaries for the bending and membrane terms, the element is more accurate than the MITC4 element for distorted meshes. This will be demonstrated for several numerical examples.}, subject = {Angewandte Informatik}, language = {en} } @article{NguyenThanhNguyenXuanBordasetal., author = {Nguyen-Thanh, Nhon and Nguyen-Xuan, Hung and Bordas, St{\´e}phane Pierre Alain and Rabczuk, Timon}, title = {Isogeometric analysis using polynomial splines over hierarchical T-meshes for two-dimensional elastic solids}, series = {Computer Methods in Applied Mechanics and Engineering}, journal = {Computer Methods in Applied Mechanics and Engineering}, pages = {1892 -- 1908}, abstract = {Isogeometric analysis using polynomial splines over hierarchical T-meshes for two-dimensional elastic solids}, subject = {Angewandte Mathematik}, language = {en} } @article{NguyenThanhMuthuZhuangetal., author = {Nguyen-Thanh, Nhon and Muthu, Jacob and Zhuang, Xiaoying and Rabczuk, Timon}, title = {An adaptive three-dimensional RHT-splines formulation in linear elasto-statics and elasto-dynamics}, series = {Computational Mechanics}, journal = {Computational Mechanics}, pages = {369 -- 385}, abstract = {An adaptive three-dimensional RHT-splines formulation in linear elasto-statics and elasto-dynamics}, subject = {Angewandte Mathematik}, language = {en} } @article{NguyenThanhKiendlNguyenXuanetal., author = {Nguyen-Thanh, Nhon and Kiendl, J. and Nguyen-Xuan, Hung and W{\"u}chner, R. and Bletzinger, Kai-Uwe and Bazilevs, Yuri and Rabczuk, Timon}, title = {Rotation free isogeometric thin shell analysis using PHT-splines}, series = {Computer Methods in Applied Mechanics and Engineering}, journal = {Computer Methods in Applied Mechanics and Engineering}, pages = {3410 -- 3424}, abstract = {Rotation free isogeometric thin shell analysis using PHT-splines}, subject = {Angewandte Mathematik}, language = {en} } @article{NguyenKerfridenBordasetal., author = {Nguyen, V.P. and Kerfriden, Pierre and Bordas, St{\´e}phane Pierre Alain and Rabczuk, Timon}, title = {Isogeometric analysis suitable trivariate NURBS representation of composite panels with a new offset algorithm}, series = {Computer-Aided Design}, journal = {Computer-Aided Design}, abstract = {Isogeometric analysis suitable trivariate NURBS representation of composite panels with a new offset algorithm}, subject = {Angewandte Mathematik}, 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{NanthakumarLahmerZhuangetal., author = {Nanthakumar, S.S. and Lahmer, Tom and Zhuang, Xiaoying and Zi, Goangseup and Rabczuk, Timon}, title = {Detection of material interfaces using a regularized level set method in piezoelectric structures}, series = {Inverse Problems in Science and Engineering}, journal = {Inverse Problems in Science and Engineering}, pages = {153 -- 176}, abstract = {Detection of material interfaces using a regularized level set method in piezoelectric structures}, subject = {Angewandte Mathematik}, language = {en} } @article{NanthakumarLahmerZhuangetal., author = {Nanthakumar, S.S. and Lahmer, Tom and Zhuang, Xiaoying and Zi, Goangseup and Rabczuk, Timon}, title = {Detection of material interfaces using a regularized level set method in piezoelectric structures}, series = {Inverse Problems in Science and Engineering}, journal = {Inverse Problems in Science and Engineering}, abstract = {Detection of material interfaces using a regularized level set method in piezoelectric structures}, subject = {Angewandte Mathematik}, language = {en} } @article{NanthakumarLahmerZhuangetal., author = {Nanthakumar, S.S. and Lahmer, Tom and Zhuang, Xiaoying and Park, Harold S. and Rabczuk, Timon}, title = {Topology optimization of piezoelectric nanostructures}, series = {Journal of the Mechanics and Physics of Solids}, journal = {Journal of the Mechanics and Physics of Solids}, pages = {316 -- 335}, abstract = {Topology optimization of piezoelectric nanostructures}, subject = {Angewandte Mathematik}, language = {en} } @article{NanthakumarLahmerRabczuk, author = {Nanthakumar, S.S. and Lahmer, Tom and Rabczuk, Timon}, title = {Detection of flaws in piezoelectric structures using extended FEM}, series = {International Journal for Numerical Methods in Engineering}, journal = {International Journal for Numerical Methods in Engineering}, pages = {373 -- 389}, abstract = {Detection of flaws in piezoelectric structures using extended FEM}, subject = {Angewandte Mathematik}, language = {en} } @article{NanthakumarLahmerRabczuk, author = {Nanthakumar, S.S. and Lahmer, Tom and Rabczuk, Timon}, title = {Detection of multiple flaws in piezoelectric structures using XFEM and level sets}, series = {International Journal for Numerical Methods in Engineering}, journal = {International Journal for Numerical Methods in Engineering}, pages = {960}, abstract = {Detection of multiple flaws in piezoelectric structures using XFEM and level sets}, subject = {Angewandte Mathematik}, language = {en} } @article{NanthakumarLahmerRabczuk, author = {Nanthakumar, S.S. and Lahmer, Tom and Rabczuk, Timon}, title = {Detection of multiple flaws in piezoelectric structures using XFEM and level sets}, series = {Computer Methods in Applied Mechanics and Engineering}, journal = {Computer Methods in Applied Mechanics and Engineering}, pages = {98 -- 112}, abstract = {Detection of multiple flaws in piezoelectric structures using XFEM and level sets}, subject = {Angewandte Mathematik}, language = {en} } @article{MsekhSargadoJamshidianetal., author = {Msekh, Mohammed Abdulrazzak and Sargado, M. and Jamshidian, M. and Areias, Pedro and Rabczuk, Timon}, title = {ABAQUS implementation of phase_field model for brittle fracture}, series = {Computational Materials Science}, journal = {Computational Materials Science}, pages = {472 -- 484}, abstract = {ABAQUS implementation of phase_field model for brittle fracture}, subject = {Angewandte Mathematik}, language = {en} } @article{MosaviNajafiFaizollahzadehArdabilietal., author = {Mosavi, Amir and Najafi, Bahman and Faizollahzadeh Ardabili, Sina and Shamshirband, Shahaboddin and Rabczuk, Timon}, title = {An Intelligent Artificial Neural Network-Response Surface Methodology Method for Accessing the Optimum Biodiesel and Diesel Fuel Blending Conditions in a Diesel Engine from the Viewpoint of Exergy and Energy Analysis}, series = {Energies}, volume = {2018}, journal = {Energies}, number = {11, 4}, publisher = {MDPI}, address = {Basel}, doi = {10.3390/en11040860}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20180507-37467}, pages = {18}, abstract = {Biodiesel, as the main alternative fuel to diesel fuel which is produced from renewable and available resources, improves the engine emissions during combustion in diesel engines. In this study, the biodiesel is produced initially from waste cooking oil (WCO). The fuel samples are applied in a diesel engine and the engine performance has been considered from the viewpoint of exergy and energy approaches. Engine tests are performed at a constant 1500 rpm speed with various loads and fuel samples. The obtained experimental data are also applied to develop an artificial neural network (ANN) model. Response surface methodology (RSM) is employed to optimize the exergy and energy efficiencies. Based on the results of the energy analysis, optimal engine performance is obtained at 80\% of full load in presence of B10 and B20 fuels. However, based on the exergy analysis results, optimal engine performance is obtained at 80\% of full load in presence of B90 and B100 fuels. The optimum values of exergy and energy efficiencies are in the range of 25-30\% of full load, which is the same as the calculated range obtained from mathematical modeling.}, subject = {Biodiesel}, language = {en} } @article{MortazaviRabczuk, author = {Mortazavi, Bohayra and Rabczuk, Timon}, title = {Multiscale modeling of heat conduction in graphene laminates}, series = {Carbon}, journal = {Carbon}, pages = {1 -- 7}, abstract = {Multiscale modeling of heat conduction in graphene laminates}, subject = {Angewandte Mathematik}, language = {en} } @article{MortazaviPereiraJiangetal., author = {Mortazavi, Bohayra and Pereira, Luiz Felipe C. and Jiang, Jin-Wu and Rabczuk, Timon}, title = {Modelling heat conduction in polycrystalline hexagonal boron-nitride films}, series = {Scientific Reports}, journal = {Scientific Reports}, doi = {10.1038/srep13228}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20170425-31534}, abstract = {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.}, subject = {W{\"a}rmeleitf{\"a}higkeit}, language = {en} } @article{MortazaviCunibertiRabczuk, author = {Mortazavi, Bohayra and Cuniberti, G. and Rabczuk, Timon}, title = {Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study}, series = {Computational Materials Science}, journal = {Computational Materials Science}, pages = {285 -- 289}, abstract = {Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study}, subject = {Angewandte Mathematik}, language = {en} } @article{LeNguyenXuanAskesetal., author = {Le, C.V. and Nguyen-Xuan, Hung and Askes, H. and Rabczuk, Timon and Nguyen-Thoi, T.}, title = {Computation of limit load using edge-based smoothed finite element method and second-order cone programming}, series = {International Journal of Computational Methods}, journal = {International Journal of Computational Methods}, abstract = {Computation of limit load using edge-based smoothed finite element method and second-order cone programming}, 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{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{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{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{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{JiangZhuangRabczuk, author = {Jiang, Jin-Wu and Zhuang, Xiaoying and Rabczuk, Timon}, title = {Orientation dependent thermal conductance in single-layer MoS 2}, series = {Scientific Reports}, journal = {Scientific Reports}, doi = {10.1038/srep02209}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20170418-31417}, abstract = {We investigate the thermal conductivity in the armchair and zigzag MoS2 nanoribbons, by combining the non-equilibrium Green's function approach and the first-principles method. A strong orientation dependence is observed in the thermal conductivity. Particularly, the thermal conductivity for the armchair MoS2 nanoribbon is about 673.6 Wm-1 K-1 in the armchair nanoribbon, and 841.1 Wm-1 K-1 in the zigzag nanoribbon at room temperature. By calculating the Caroli transmission, we disclose the underlying mechanism for this strong orientation dependence to be the fewer phonon transport channels in the armchair MoS2 nanoribbon in the frequency range of [150, 200] cm-1. Through the scaling of the phonon dispersion, we further illustrate that the thermal conductivity calculated for the MoS2 nanoribbon is esentially in consistent with the superior thermal conductivity found for graphene.}, subject = {Mechanische Eigenschaft}, 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{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{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{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{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{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{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{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{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{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{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} }