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富勒烯 C720 在低冲击速度下的能量吸收能力:基于分子动力学的数值研究。

Energy absorption ability of buckyball C720 at low impact speed: a numerical study based on molecular dynamics.

机构信息

Columbia Nanomechanics Research Center, Department of Earth and Environmental Engineering, Columbia University, New York, NY 10027, USA.

出版信息

Nanoscale Res Lett. 2013 Jan 29;8(1):54. doi: 10.1186/1556-276X-8-54.

Abstract

The dynamic impact response of giant buckyball C720 is investigated by using molecular dynamics simulations. The non-recoverable deformation of C720 makes it an ideal candidate for high-performance energy absorption. Firstly, mechanical behaviors under dynamic impact and low-speed crushing are simulated and modeled, which clarifies the buckling-related energy absorption mechanism. One-dimensional C720 arrays (both vertical and horizontal alignments) are studied at various impact speeds, which show that the energy absorption ability is dominated by the impact energy per buckyball and less sensitive to the number and arrangement direction of buckyballs. Three-dimensional stacking of buckyballs in simple cubic, body-centered cubic, hexagonal, and face-centered cubic forms are investigated. Stacking form with higher occupation density yields higher energy absorption. The present study may shed lights on employing C720 assembly as an advanced energy absorption system against low-speed impacts.

摘要

采用分子动力学模拟研究了巨型富勒烯 C720 的动态冲击响应。C720 的不可恢复变形使其成为高性能能量吸收的理想候选材料。首先,模拟和建模了动态冲击和低速压碎下的力学行为,阐明了与屈曲相关的能量吸收机制。在各种冲击速度下研究了一维 C720 阵列(垂直和水平排列),结果表明,能量吸收能力主要由每个富勒烯的冲击能决定,而对富勒烯的数量和排列方向的敏感性较低。研究了简单立方、体心立方、六方和面心立方形式的富勒烯三维堆积。占据密度更高的堆积形式可实现更高的能量吸收。本研究可为采用 C720 组装作为先进的低速冲击能吸收系统提供思路。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/49b5/3576260/10ac5b6a4ffd/1556-276X-8-54-1.jpg

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