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Mechanical Properties of Penta-Graphene Nanotubes
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2017-04-26 00:00:00 , DOI: 10.1021/acs.jpcc.7b02753 Mingwei Chen 1, 2 , Haifei Zhan 2, 3 , Yinbo Zhu 1 , Hengan Wu 1 , Yuantong Gu 2
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2017-04-26 00:00:00 , DOI: 10.1021/acs.jpcc.7b02753 Mingwei Chen 1, 2 , Haifei Zhan 2, 3 , Yinbo Zhu 1 , Hengan Wu 1 , Yuantong Gu 2
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Penta-graphene is the name given to a novel puckered monolayer of carbon atoms tightly packed into an inerratic pentagonal network, theoretically, which exhibits excellent thermal and mechanical stability and can be rolled into penta-graphene nanotubes (PGNTs). Herein, we perform the first simulation study of mechanical properties of PGNTs under uniaxial tension. In addition to comparable mechanical properties with that of carbon nanotubes (CNT), it is found that PGNTs possess promising extensibility with typical plastic behavior due to the irreversible pentagon-to-polygon structural transformation and the hexagon carbon ring becomes the dominating structural motif after the transformation. The plastic characteristic of PGNTs is inherent with strain-rate and tube-diameter independences. Moreover, within ultimate temperature (T < 1100 K), tensile deformed PGNTs manifest similar phase transition with an approximate transition ratio from pentagon to hexagon. The intrinsic insight provides a fundamental understanding of mechanic properties of PGNTs, which should open up a novel perspective for the design of plastic carbon-based nanomaterials.
中文翻译：
五氧化石墨烯纳米管的力学性能
五角石墨烯是紧密折叠成五角形五角形网络的新型褶皱碳原子单层的名称，理论上它表现出出色的热稳定性和机械稳定性，可以卷成五石墨烯纳米管（PGNTs）。在这里，我们进行单轴拉伸下PGNTs力学性能的首次模拟研究。除了具有与碳纳米管（CNT）相当的机械性能外，还发现由于不可逆的五边形到多边形的结构转变，PGNTs具有良好的可扩展性和典型的塑性行为，并且六边形碳环成为碳纳米管之后的主要结构基序。转型。PGNT的塑性特性固有于应变率和管径独立性。而且，在极限温度（T <1100 K），拉伸变形的PGNT表现出相似的相变，从五边形到六边形具有近似的过渡比。内在的洞察力提供了对PGNTs力学性能的基本了解，这应该为塑料碳基纳米材料的设计开辟新的视角。
更新日期：2017-04-26
中文翻译：
五氧化石墨烯纳米管的力学性能
五角石墨烯是紧密折叠成五角形五角形网络的新型褶皱碳原子单层的名称，理论上它表现出出色的热稳定性和机械稳定性，可以卷成五石墨烯纳米管（PGNTs）。在这里，我们进行单轴拉伸下PGNTs力学性能的首次模拟研究。除了具有与碳纳米管（CNT）相当的机械性能外，还发现由于不可逆的五边形到多边形的结构转变，PGNTs具有良好的可扩展性和典型的塑性行为，并且六边形碳环成为碳纳米管之后的主要结构基序。转型。PGNT的塑性特性固有于应变率和管径独立性。而且，在极限温度（T <1100 K），拉伸变形的PGNT表现出相似的相变，从五边形到六边形具有近似的过渡比。内在的洞察力提供了对PGNTs力学性能的基本了解，这应该为塑料碳基纳米材料的设计开辟新的视角。
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