Wang Huaipeng, Cao Qiang, Peng Qing, Liu Sheng
The Institute of Technological Sciences, Wuhan University, Wuhan 430072, China.
Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI 48109, USA.
Nanomaterials (Basel). 2019 Jan 18;9(1):109. doi: 10.3390/nano9010109.
With an ultralarge surface-to-volume ratio, a recently synthesized three-dimensional graphene structure, namely, carbon honeycomb, promises important engineering applications. Herein, we have investigated, via molecular dynamics simulations, its mechanical properties, which are inevitable for its integrity and desirable for any feasible implementations. The uniaxial tension and nanoindentation behaviors are numerically examined. Stress⁻strain curves manifest a transformation of covalent bonds of hinge atoms when they are stretched in the channel direction. The load⁻displacement curve in nanoindentation simulation implies the hardness and Young's modulus to be 50.9 GPa and 461±9 GPa, respectively. Our results might be useful for material and device design for carbon honeycomb-based systems.
最近合成的一种三维石墨烯结构——碳蜂窝，具有超大的表面积与体积比，有望在重要的工程应用中发挥作用。在此，我们通过分子动力学模拟研究了其力学性能，这对于其完整性而言是不可或缺的，并且对于任何可行的应用来说都是理想的。我们对其单轴拉伸和纳米压痕行为进行了数值研究。应力-应变曲线表明，当铰链原子在通道方向上被拉伸时，其共价键会发生转变。纳米压痕模拟中的载荷-位移曲线表明，其硬度和杨氏模量分别为50.9 GPa和461±9 GPa。我们的研究结果可能对基于碳蜂窝的系统的材料和器件设计有用。
