Xia Z H, Guduru P R, Curtin W A
Department of Mechanical Engineering, The University of Akron, Akron, Ohio 44325, USA.
Phys Rev Lett. 2007 Jun 15;98(24):245501. doi: 10.1103/PhysRevLett.98.245501. Epub 2007 Jun 14.
Molecular dynamics (MD) simulations under transverse shear, uniaxial compression, and pullout loading configurations are reported for multiwall carbon nanotubes (MWCNTs) with different fraction of interwall sp3 bonds. The interwall shear coupling in MWCNTs is shown to have a strong influence on load transfer and compressive load carrying capacity. A new continuum shear-coupled-shell model is developed to predict MWCNT buckling, which agrees very well with all MD results. This work demonstrates that MWCNTs can be engineered through control of interwall sp3 coupling to increase load transfer, buckling strength, and energy dissipation by nanotube pullout, all necessary features for good performance of nanocomposites.
本文报道了具有不同比例壁间sp3键的多壁碳纳米管（MWCNT）在横向剪切、单轴压缩和拉拔载荷配置下的分子动力学（MD）模拟。结果表明，MWCNT中的壁间剪切耦合对载荷传递和抗压承载能力有很大影响。开发了一种新的连续剪切耦合壳模型来预测MWCNT的屈曲，该模型与所有MD结果非常吻合。这项工作表明，可以通过控制壁间sp3耦合来设计MWCNT，以增加载荷传递、屈曲强度和通过纳米管拉拔实现的能量耗散，这些都是纳米复合材料良好性能所必需的特征。
