@article{VuBacLahmerKeiteletal., author = {Vu-Bac, N. and Lahmer, Tom and Keitel, Holger and Zhao, Jun-Hua and Zhuang, Xiaoying and Rabczuk, Timon}, title = {Stochastic predictions of bulk properties of amorphous polyethylene based on molecular dynamics simulations}, series = {Mechanics of Materials}, journal = {Mechanics of Materials}, pages = {70 -- 84}, abstract = {Stochastic predictions of bulk properties of amorphous polyethylene based on molecular dynamics simulations}, 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{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{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} }