Columbia Nanomechanics Research Center, Department of Earth and Environmental Engineering, Columbia University, New York, New York, United States of America.
PLoS One. 2013 May 28;8(5):e64697. doi: 10.1371/journal.pone.0064697. Print 2013.
The energy mitigation properties of buckyballs are investigated using molecular dynamics (MD) simulations. A one dimensional buckyball long chain is employed as a unit cell of granular fullerene particles. Two types of buckyballs i.e. C60 and C720 with recoverable and non-recoverable behaviors are chosen respectively. For C60 whose deformation is relatively small, a dissipative contact model is proposed. Over 90% of the total impact energy is proven to be mitigated through interfacial reflection of wave propagation, the van der Waals interaction, covalent potential energy and atomistic kinetic energy evidenced by the decent force attenuation and elongation of transmitted impact. Further, the C720 system is found to outperform its C60 counterpart and is able to mitigate over 99% of the total kinetic energy by using a much shorter chain thanks to its non-recoverable deformation which enhances the four energy dissipation terms. Systematic studies are carried out to elucidate the effects of impactor speed and mass, as well as buckyball size and number on the system energy mitigation performance. This one dimensional buckyball system is especially helpful to deal with the impactor of high impact speed but small mass. The results may shed some lights on the research of high-efficiency energy mitigation material selections and structure designs.
使用分子动力学(MD)模拟研究富勒烯的能量耗散特性。将一维富勒烯长链用作颗粒富勒烯颗粒的单元胞。分别选择可恢复和不可恢复行为的两种富勒烯,即 C60 和 C720。对于变形相对较小的 C60,提出了耗散接触模型。超过 90%的总冲击能被证明通过波传播的界面反射、范德华相互作用、共价势能和原子动能来耗散,这可以通过传输冲击的适当力衰减和伸长来证明。此外,由于不可恢复的变形增强了四个能量耗散项,C720 系统能够比其 C60 对应物更好地耗散超过 99%的总动能,并且由于其不可恢复的变形,C720 系统能够使用更短的链来实现这一点。系统进行了系统的研究,以阐明冲击速度和质量以及富勒烯尺寸和数量对系统能量耗散性能的影响。这种一维富勒烯系统特别有助于处理高速但质量小的冲击物。研究结果可能为高效能量耗散材料选择和结构设计的研究提供一些启示。