Mechanical properties of hollow and water-filled graphyne nanotube and carbon nanotube hybrid structure
Mechanical properties of hollow and water-filled graphyne nanotube and carbon nanotube hybrid structure
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中空充水石墨烯纳米管与碳纳米管杂化结构的力学性能
DOI：
10.1088/1361-6528/aab075
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发表时间：
2018-03
期刊：
影响因子：
3.5
通讯作者：
Song Fenhong
中科院分区：
文献类型：
--
作者：
Lei Guangping;Zhang Yayun;Liu Hantao;Song Fenhong
通过分子动力学模拟，设计并研究了（6，6）石墨炔纳米管（GNT）与（6，6）碳纳米管（CNT）复合的GNT/CNT杂化结构。研究了GNT含量、含水量和电场对复合材料力学性能的影响。计算结果表明，空心杂化结构的断裂应变和强度明显小于完全（6，6）CNT。此外，杨氏模量随GNT含量的增加而单调下降。更重要的是，通过填充水分子和沿着拉伸方向施加电场，可以实现杂化结构力学性能的可调。具体而言，在没有电场的情况下，将水含量从0.0增加到8.70 mmol g−1可以导致断裂应变和强度分别降低15.09%和12.87%。此外，随着电场强度的增加，含水量为8.70 mmol g-1的充水混合结构的断裂应变和强度也可以得到提高。这些发现将为设计和制备具有可控力学性能的纳米器件提供有价值的理论依据。
By performing molecular dynamics simulations, a GNT/CNT hybrid structure constructed via combing (6, 6) graphyne nanotube (GNT) with (6, 6) carbon nanotube (CNT) has been designed and investigated. The mechanical properties induced by the percentage of GNT, water content and electric field were examined. Calculation results reveal that the fracture strain and strength of hollow hybrid structure are remarkably smaller than that of perfect (6, 6) CNT. In addition, the Young’s modulus decreases monotonously with the increase of percentage of GNT. More importantly, the tunable mechanical properties of hybrid structure can be achieved through filling with water molecules and applying an electric field along tensile direction. Specifically, increasing water content from 0.0 to 8.70 mmol g−1 in the absence of electric field could result in fracture strain and strength reducing by 15.09% and 12.87%, respectively. Besides, enhancing fracture strain and strength of water-filled hybrid structure with water content of 8.70 mmol g−1 can also be obtained with rising electric field intensity. These findings would provide a valuable theoretical basis for designing and fabricating a nanodevice with controllable mechanical performances.
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影响因子：
3.9
作者：
Bao-cheng Yang;Shuaiwei Wang;Yanzhen Guo;Jinyun Yuan;Yubing Si;Shouren Zhang;Houyang Chen
通讯作者：
Bao-cheng Yang;Shuaiwei Wang;Yanzhen Guo;Jinyun Yuan;Yubing Si;Shouren Zhang;Houyang Chen
影响因子：
4
作者：
Liding Wang;Hongwu W. Zhang;Zhongqiang Zhang;Yonggang Zheng;J. B. Wang
通讯作者：
Liding Wang;Hongwu W. Zhang;Zhongqiang Zhang;Yonggang Zheng;J. B. Wang
影响因子：
3.7
作者：
Q. Lu;Rui Huang
通讯作者：
Q. Lu;Rui Huang
DOI：
10.1063/1.4817596
发表时间：
2013-08
期刊：
The Journal of chemical physics
影响因子：
--
作者：
J. Kou;Xiaoyan Zhou;Yanyan Chen;Hangjun Lu;Fengmin Wu;Jintu Fan
通讯作者：
J. Kou;Xiaoyan Zhou;Yanyan Chen;Hangjun Lu;Fengmin Wu;Jintu Fan
影响因子：
8.6
作者：
J. Z. Liu;Q. Zheng;Q. Jiang
通讯作者：
J. Z. Liu;Q. Zheng;Q. Jiang