论文标题

与苯结合的几层石墨烯的纳米网络的可设计延展性:一项分子动力学研究

Designable ductility of a nano-network from few-layered graphene bonded with benzene: A molecular dynamics study

论文作者

Shi, Jiao, Zhang, Jia-Long, Li, Xin, Song, Bo

论文摘要

在纳米级,通常通过位移负荷实现纳米对象的运动操作,这提出了对材料延展性的高要求。由于原始石墨烯的延展性较低,一旦拉伸应变超过其临界值,它就会以脆性的样式破裂并失去快速承受外部负载的能力。为了改善延展性,提出了基于几层石墨烯的瓦楞纸碳纳米网络模型,其中两个表面层通过苯分子与几个波纹芯层粘合。通过分子动力学模拟评估碳网络,温度和应变速率等因素对延展性的影响。得出结论,用于潜在的具有可设计延展性的新二维材料。

In nanoscale, motion operation of a nano-objective is usually realized by displacement load, which put forwards high requirement for ductility of material. Since pristine graphene has low ductility, once the stretching strain exceeds its critical value, it breaks in brittle style and loses ability to bear the external load quickly. Herein, to improve the ductility, a corrugated sandwich carbon nano-network model based on few-layered graphene is proposed, in which the two surface layers are bonded with several corrugated core layers via benzene molecules. Effects of factors such as the geometry of the carbon network, temperature, and strain rate, on the ductility are evaluated by molecular dynamics simulations. Conclusions are drawn for potential application of the new two-dimensional material with designable ductility.

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