@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}
}