@article{ZhuangHuangRabczuketal., author = {Zhuang, Xiaoying and Huang, Runqiu and Rabczuk, Timon and Liang, C.}, title = {A coupled thermo-hydro-mechanical model of jointed hard rock for compressed air energy storage}, series = {Mathematical Problems in Engineering}, journal = {Mathematical Problems in Engineering}, abstract = {A coupled thermo-hydro-mechanical model of jointed hard rock for compressed air energy storage}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhuangHuangLiangetal., author = {Zhuang, Xiaoying and Huang, Runqiu and Liang, Chao and Rabczuk, Timon}, title = {A coupled thermo-hydro-mechanical model of jointed hard rock for compressed air energy storage}, series = {Mathematical Problems in Engineering}, journal = {Mathematical Problems in Engineering}, doi = {10.1155/2014/179169}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20170428-31726}, abstract = {Renewable energy resources such as wind and solar are intermittent, which causes instability when being connected to utility grid of electricity. Compressed air energy storage (CAES) provides an economic and technical viable solution to this problem by utilizing subsurface rock cavern to store the electricity generated by renewable energy in the form of compressed air. Though CAES has been used for over three decades, it is only restricted to salt rock or aquifers for air tightness reason. In this paper, the technical feasibility of utilizing hard rock for CAES is investigated by using a coupled thermo-hydro-mechanical (THM) modelling of nonisothermal gas flow. Governing equations are derived from the rules of energy balance, mass balance, and static equilibrium. Cyclic volumetric mass source and heat source models are applied to simulate the gas injection and production. Evaluation is carried out for intact rock and rock with discrete crack, respectively. In both cases, the heat and pressure losses using air mass control and supplementary air injection are compared.}, subject = {Energiespeicherung}, language = {en} } @article{ZhaoWeiFanetal., author = {Zhao, Jun-Hua and Wei, Ning and Fan, Z. and Jiang, Jin-Wu and Rabczuk, Timon}, title = {Mechanical properties of three types of carbon allotropes}, series = {Nanotechnology}, journal = {Nanotechnology}, abstract = {Mechanical properties of three types of carbon allotropes}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhaoWangJiangetal., author = {Zhao, Jun-Hua and Wang, L. and Jiang, Jin-Wu and Wang, Z. and Guo, Wanlin and Rabczuk, Timon}, title = {A comparative study of two molecular mechanics models based on harmonic potentials}, series = {Journal of Applied Physics}, journal = {Journal of Applied Physics}, abstract = {A comparative study of two molecular mechanics models based on harmonic potentials}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhaoLuZhangetal., author = {Zhao, Jun-Hua and Lu, Lixin and Zhang, Zhiliang and Guo, Wanlin and Rabczuk, Timon}, title = {Continuum modeling of the cohesive energy for the interfaces between _lms, spheres, coats and substrates}, series = {Computational Materials Science}, journal = {Computational Materials Science}, pages = {432 -- 438}, abstract = {Continuum modeling of the cohesive energy for the interfaces between _lms, spheres, coats and substrates}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhaoLuRabczuk, author = {Zhao, Jun-Hua and Lu, Lixin and Rabczuk, Timon}, title = {Binding energy and mechanical stability of single- and multi-walled carbon nanotube serpentines}, series = {The Journal of Chemical Physics}, journal = {The Journal of Chemical Physics}, doi = {10.1063/1.4878115}, abstract = {Binding energy and mechanical stability of single- and multi-walled carbon nanotube serpentines}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhaoKouJiangetal., author = {Zhao, Jun-Hua and Kou, Liangzhi and Jiang, Jin-Wu and Rabczuk, Timon}, title = {Tension-induced phase transition of single-layer molybdenum disulphide (MoS2) at low temperatures}, series = {Nanotechnology}, journal = {Nanotechnology}, doi = {10.1088/0957-4484/25/29/295701}, abstract = {Tension-induced phase transition of single-layer molybdenum disulphide (MoS2) at low temperatures}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhaoJiangJiaetal., author = {Zhao, Jun-Hua and Jiang, Jin-Wu and Jia, Yue and Guo, Wanlin and Rabczuk, Timon}, title = {A theoretical analysis of cohesive energy between carbon nanotubes, graphene and substrates}, series = {Carbon}, journal = {Carbon}, doi = {10.1016/j.carbon.2013.01.041}, pages = {108 -- 119}, abstract = {Explicit solutions for the cohesive energy between carbon nanotubes, graphene and substrates are obtained through continuum modeling of the van der Waals interaction between them. The dependence of the cohesive energy on their size, spacing and crossing angles is analyzed. Checking against full atom molecular dynamics calculations and available experimental results shows that the continuum solution has high accuracy. The equilibrium distances between the nanotubes, graphene and substrates with minimum cohesive energy are also provided explicitly. The obtained analytical solution should be of great help for understanding the interaction between the nanostructures and substrates, and designing composites and nanoelectromechanical systems.}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhaoJiaWeietal., author = {Zhao, Jun-Hua and Jia, Yue and Wei, Ning and Rabczuk, Timon}, title = {Binding energy and mechanical stability of two parallel and crossing carbon nanotubes}, series = {Journal of Applied Mechanics}, journal = {Journal of Applied Mechanics}, abstract = {Binding energy and mechanical stability of two parallel and crossing carbon nanotubes}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhaoGuoRabczuk, author = {Zhao, Jun-Hua and Guo, Wanlin and Rabczuk, Timon}, title = {An analytical molecular mechanics model for the elastic properties of crystalline polyethylene}, series = {Journal of Applied Physics}, journal = {Journal of Applied Physics}, doi = {10.1063/1.4745035}, abstract = {We present an analytical model to relate the elastic properties of crystalline polyethylene based on a molecular mechanics approach. Along the polymer chains direction, the united-atom (UA) CH2-CH2 bond stretching, angle bending potentials are replaced with equivalent Euler-Bernoulli beams. Between any two polymer chains, the explicit formulae are derived for the van der Waals interaction represented by the linear springs of different stiffness. Then, the nine independent elastic constants are evaluated systematically using the formulae. The analytical model is finally validated by present united-atom molecular dynamics (MD) simulations and against available all-atom molecular dynamics results in the literature. The established analytical model provides an efficient route for mechanical characterization of crystalline polymers and related materials.}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhaoLuRabczuk, author = {Zhao, Jiyun and Lu, Lixin and Rabczuk, Timon}, title = {The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers}, series = {Computational Materials Science}, journal = {Computational Materials Science}, pages = {567 -- 572}, abstract = {The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhaoJiangWangetal., author = {Zhao, Jiyun and Jiang, Jin-Wu and Wang, L. and Guo, Wanlin and Rabczuk, Timon}, title = {Coarse-grained potentials of single-walled carbon nanotubes}, series = {Journal of the Mechanics and Physics of Solids}, journal = {Journal of the Mechanics and Physics of Solids}, abstract = {Coarse-grained potentials of single-walled carbon nanotubes}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhangZhuangMuthuetal., author = {Zhang, Yancheng and Zhuang, Xiaoying and Muthu, Jacob and Mabrouki, Tarek and Fontaine, Micha{\"e}l and Gong, Yadong and Rabczuk, Timon}, title = {Load transfer of graphene/carbon nanotube/polyethylene hybrid nanocomposite by molecular dynamics simulation}, series = {Composites Part B Engineering}, journal = {Composites Part B Engineering}, pages = {27 -- 33}, abstract = {Load transfer of graphene/carbon nanotube/polyethylene hybrid nanocomposite by molecular dynamics simulation}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhangZhaoJiaetal., author = {Zhang, Yancheng and Zhao, Jun-Hua and Jia, Yue and Mabrouki, Tarek and Gong, Yadong and Wei, Ning and Rabczuk, Timon}, title = {An analytical solution on the interface debonding for large diameter carbon nanotube-reinforced composite with functionally graded variation interphase}, series = {Composite Structures}, journal = {Composite Structures}, pages = {261 -- 269}, abstract = {An analytical solution on the interface debonding for large diameter carbon nanotube-reinforced composite with functionally graded variation interphase}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhangZhaoWeietal., author = {Zhang, Yancheng and Zhao, Jiyun and Wei, Ning and Jiang, Jin-Wu and Rabczuk, Timon}, title = {Effects of the dispersion of polymer wrapped two neighbouring single walled carbon nanotubes (SWNTs) on nanoengineering load transfer}, series = {Composites Part B: Engineering}, journal = {Composites Part B: Engineering}, pages = {1714 -- 1721}, abstract = {Effects of the dispersion of polymer wrapped two neighbouring single walled carbon nanotubes (SWNTs) on nanoengineering load transfer}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhangWeiZhaoetal., author = {Zhang, Yancheng and Wei, Ning and Zhao, Jun-Hua and Gong, Yadong and Rabczuk, Timon}, title = {Quasi-analytical solution for the stable system of the multi-layer folded graphene wrinkles}, series = {Journal of Applied Physics}, journal = {Journal of Applied Physics}, abstract = {Quasi-analytical solution for the stable system of the multi-layer folded graphene wrinkles}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhangWangLahmeretal., author = {Zhang, Chao and Wang, Cuixia and Lahmer, Tom and He, Pengfei and Rabczuk, Timon}, title = {A dynamic XFEM formulation for crack identification}, series = {International Journal of Mechanics and Materials in Design}, journal = {International Journal of Mechanics and Materials in Design}, pages = {427 -- 448}, abstract = {A dynamic XFEM formulation for crack identification}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhangNanthakumarLahmeretal., author = {Zhang, Chao and Nanthakumar, S.S. and Lahmer, Tom and Rabczuk, Timon}, title = {Multiple cracks identification for piezoelectric structures}, series = {International Journal of Fracture}, journal = {International Journal of Fracture}, pages = {1 -- 19}, abstract = {Multiple cracks identification for piezoelectric structures}, subject = {Angewandte Mathematik}, language = {en} } @article{ZhangHaoWangetal., author = {Zhang, Chao and Hao, Xiao-Li and Wang, Cuixia and Wei, Ning and Rabczuk, Timon}, title = {Thermal conductivity of graphene nanoribbons under shear deformation: A molecular dynamics simulation}, series = {Scientific Reports}, journal = {Scientific Reports}, doi = {10.1038/srep41398}, url = {http://nbn-resolving.de/urn:nbn:de:gbv:wim2-20170428-31718}, abstract = {Tensile strain and compress strain can greatly affect the thermal conductivity of graphene nanoribbons (GNRs). However, the effect of GNRs under shear strain, which is also one of the main strain effect, has not been studied systematically yet. In this work, we employ reverse nonequilibrium molecular dynamics (RNEMD) to the systematical study of the thermal conductivity of GNRs (with model size of 4 nm × 15 nm) under the shear strain. Our studies show that the thermal conductivity of GNRs is not sensitive to the shear strain, and the thermal conductivity decreases only 12-16\% before the pristine structure is broken. Furthermore, the phonon frequency and the change of the micro-structure of GNRs, such as band angel and bond length, are analyzed to explore the tendency of thermal conductivity. The results show that the main influence of shear strain is on the in-plane phonon density of states (PDOS), whose G band (higher frequency peaks) moved to the low frequency, thus the thermal conductivity is decreased. The unique thermal properties of GNRs under shear strains suggest their great potentials for graphene nanodevices and great potentials in the thermal managements and thermoelectric applications.}, subject = {W{\"a}rmeleitf{\"a}higkeit}, language = {en} } @article{YangBudarapuMahapatraetal., author = {Yang, Shih-Wei and Budarapu, Pattabhi Ramaiah and Mahapatra, D.R. and Bordas, St{\´e}phane Pierre Alain and Zi, Goangseup and Rabczuk, Timon}, title = {A Meshless Adaptive Multiscale Method for Fracture}, series = {Computational Materials Science}, journal = {Computational Materials Science}, pages = {382 -- 395}, abstract = {A Meshless Adaptive Multiscale Method for Fracture}, subject = {Angewandte Mathematik}, language = {en} }