TY - JOUR A1 - Zhao, Jun-Hua A1 - Wei, Ning A1 - Fan, Z. A1 - Jiang, Jin-Wu A1 - Rabczuk, Timon T1 - Mechanical properties of three types of carbon allotropes JF - Nanotechnology N2 - Mechanical properties of three types of carbon allotropes KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2013 ER - TY - JOUR A1 - Jiang, Jin-Wu A1 - Rabczuk, Timon A1 - Park, Harold S. T1 - 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 JF - Nanoscale N2 - 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. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2015 U6 - http://dx.doi.org/10.1039/C4NR07341J ER - TY - JOUR A1 - Jiang, Jin-Wu A1 - Wang, Bing-Shen A1 - Rabczuk, Timon T1 - Acoustic and breathing phonon modes in bilayer graphene with Moire-acute patterns JF - Applied Physics Letters N2 - 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. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 U6 - http://dx.doi.org/10.1063/1.4735246 ER - TY - JOUR A1 - Zhao, Jiyun A1 - Jiang, Jin-Wu A1 - Wang, L. A1 - Guo, Wanlin A1 - Rabczuk, Timon T1 - Coarse-grained potentials of single-walled carbon nanotubes JF - Journal of the Mechanics and Physics of Solids N2 - Coarse-grained potentials of single-walled carbon nanotubes KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2014 ER - TY - JOUR A1 - Jiang, Jin-Wu A1 - Wang, Bing-Shen A1 - Rabczuk, Timon T1 - Why twisting angles are diverse in graphene Moir’e patterns? JF - Journal of Applied Physics N2 - Why twisting angles are diverse in graphene Moir’e patterns? KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2013 ER - TY - JOUR A1 - Jiang, Jin-Wu A1 - Zhao, Jun-Hua A1 - Zhou, K. A1 - Rabczuk, Timon T1 - Superior thermal conductivity and extremely high mechanical strength in polyethylene chains from ab initio calculation JF - Journal of Applied Physics N2 - 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. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 U6 - http://dx.doi.org/10.1063/1.4729489 ER - TY - JOUR A1 - Jiang, Jin-Wu A1 - Rabczuk, Timon T1 - Mechanical Oscillation of Kinked Silicon Nanowires: a Natural Nanoscale Spring JF - Applied Physics Letters N2 - Mechanical Oscillation of Kinked Silicon Nanowires: a Natural Nanoscale Spring KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2013 ER - TY - JOUR A1 - Jiang, Jin-Wu A1 - Park, Harold S. A1 - Rabczuk, Timon T1 - Enhancing the mass sensitivity of graphene nanoresonators via nonlinear oscillations: The effective strain mechanism JF - Nanotechnology N2 - Enhancing the mass sensitivity of graphene nanoresonators via nonlinear oscillations: The effective strain mechanism KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2012 ER - TY - JOUR A1 - Zhao, Jun-Hua A1 - Jiang, Jin-Wu A1 - Jia, Yue A1 - Guo, Wanlin A1 - Rabczuk, Timon T1 - A theoretical analysis of cohesive energy between carbon nanotubes, graphene and substrates JF - Carbon N2 - 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. KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2014 U6 - http://dx.doi.org/10.1016/j.carbon.2013.01.041 SP - 108 EP - 119 ER - TY - JOUR A1 - Zhao, Jun-Hua A1 - Kou, Liangzhi A1 - Jiang, Jin-Wu A1 - Rabczuk, Timon T1 - Tension-induced phase transition of single-layer molybdenum disulphide (MoS2) at low temperatures JF - Nanotechnology N2 - Tension-induced phase transition of single-layer molybdenum disulphide (MoS2) at low temperatures KW - Angewandte Mathematik KW - Strukturmechanik Y1 - 2014 U6 - http://dx.doi.org/10.1088/0957-4484/25/29/295701 ER -