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Water filling and electric field-induced enhancement in the mechanical property of carbon nanotubes.

Ye HF, Zheng YG, Zhang ZQ, Chen Z, Zhang HW - Sci Rep (2015)

Bottom Line: The effects of water filling and electric field on the mechanical property of carbon nanotubes (CNTs) are investigated with molecular dynamics simulations.The simulation results indicate that the water filling and electric field could enhance the elastic modulus but reduce the Poisson's ratio of the CNTs.The present findings provide a valuable route for the optimized design and application of the nanoscale functional devices based on the water-filled CNTs.

View Article: PubMed Central - PubMed

Affiliation: State Key Laboratory of Structural Analysis for Industrial Equipment, Department of Engineering Mechanics, Faculty of Vehicle Engineering and Mechanics, Dalian University of Technology, Dalian 116024, P. R. China.

ABSTRACT
The effects of water filling and electric field on the mechanical property of carbon nanotubes (CNTs) are investigated with molecular dynamics simulations. The simulation results indicate that the water filling and electric field could enhance the elastic modulus but reduce the Poisson's ratio of the CNTs. As for the buckling behaviors, a significant enhancement could be observed in the yield stress and average post-buckling stress of the CNTs. In particular, the enhancement in the yield stress induced by the water filling and electric field could be even higher than that resulted from the solid filling. Moreover, a transition mechanism from the rod instability to shell buckling is shown to explain the nonmonotonic variation of yield stress, and the critical diameter can be tuned through filling the water molecules and applying the electric field. The present findings provide a valuable route for the optimized design and application of the nanoscale functional devices based on the water-filled CNTs.

No MeSH data available.


Related in: MedlinePlus

The Poisson’s ratio of the CNTs in the three cases.The five columns in each case correspond to the Poisson’s ratios of the (6, 6), (8, 8), (10, 10), (12, 12) and (16, 16) CNTs. The solid and dashed lines represent the averages and error bands of the five columns, respectively.
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f3: The Poisson’s ratio of the CNTs in the three cases.The five columns in each case correspond to the Poisson’s ratios of the (6, 6), (8, 8), (10, 10), (12, 12) and (16, 16) CNTs. The solid and dashed lines represent the averages and error bands of the five columns, respectively.

Mentions: Fig. 3 displays the average Poisson’s ratios of the three types of CNTs, i.e., the empty CNTs, the water-filled CNTs and the water-filled CNTs under the electric field. Here, the Poisson’s ratio is calculated by the expression, ν = –εr/εz, where εr and εz are the circumferential and axial strains, respectively. The corresponding Poisson’s ratios for the three CNTs are 0.177 ± 0.012, 0.173 ± 0.012 and 0.170 ± 0.013, respectively. The present Poisson’s ratio of the empty CNTs is in the range of that obtained in the previous work (0.16 ~ 0.19)222324. It can be seen that the water filling reduces the Poisson’s ratio of the CNTs, and the electric field could result in a further decrease in the Poisson’s ratio. The reason is because there has been a pre-strain in the circumferential direction for the water-filled CNTs as compared to the empty CNTs. Thus, for the water-filled CNTs, the further enlargement in the circumferential deformation becomes more difficult. Hence, it appears from the MD simulation that the water could offer a stronger suppression for the circumferential deformation than for the axial deformation.


Water filling and electric field-induced enhancement in the mechanical property of carbon nanotubes.

Ye HF, Zheng YG, Zhang ZQ, Chen Z, Zhang HW - Sci Rep (2015)

The Poisson’s ratio of the CNTs in the three cases.The five columns in each case correspond to the Poisson’s ratios of the (6, 6), (8, 8), (10, 10), (12, 12) and (16, 16) CNTs. The solid and dashed lines represent the averages and error bands of the five columns, respectively.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4664918&req=5

f3: The Poisson’s ratio of the CNTs in the three cases.The five columns in each case correspond to the Poisson’s ratios of the (6, 6), (8, 8), (10, 10), (12, 12) and (16, 16) CNTs. The solid and dashed lines represent the averages and error bands of the five columns, respectively.
Mentions: Fig. 3 displays the average Poisson’s ratios of the three types of CNTs, i.e., the empty CNTs, the water-filled CNTs and the water-filled CNTs under the electric field. Here, the Poisson’s ratio is calculated by the expression, ν = –εr/εz, where εr and εz are the circumferential and axial strains, respectively. The corresponding Poisson’s ratios for the three CNTs are 0.177 ± 0.012, 0.173 ± 0.012 and 0.170 ± 0.013, respectively. The present Poisson’s ratio of the empty CNTs is in the range of that obtained in the previous work (0.16 ~ 0.19)222324. It can be seen that the water filling reduces the Poisson’s ratio of the CNTs, and the electric field could result in a further decrease in the Poisson’s ratio. The reason is because there has been a pre-strain in the circumferential direction for the water-filled CNTs as compared to the empty CNTs. Thus, for the water-filled CNTs, the further enlargement in the circumferential deformation becomes more difficult. Hence, it appears from the MD simulation that the water could offer a stronger suppression for the circumferential deformation than for the axial deformation.

Bottom Line: The effects of water filling and electric field on the mechanical property of carbon nanotubes (CNTs) are investigated with molecular dynamics simulations.The simulation results indicate that the water filling and electric field could enhance the elastic modulus but reduce the Poisson's ratio of the CNTs.The present findings provide a valuable route for the optimized design and application of the nanoscale functional devices based on the water-filled CNTs.

View Article: PubMed Central - PubMed

Affiliation: State Key Laboratory of Structural Analysis for Industrial Equipment, Department of Engineering Mechanics, Faculty of Vehicle Engineering and Mechanics, Dalian University of Technology, Dalian 116024, P. R. China.

ABSTRACT
The effects of water filling and electric field on the mechanical property of carbon nanotubes (CNTs) are investigated with molecular dynamics simulations. The simulation results indicate that the water filling and electric field could enhance the elastic modulus but reduce the Poisson's ratio of the CNTs. As for the buckling behaviors, a significant enhancement could be observed in the yield stress and average post-buckling stress of the CNTs. In particular, the enhancement in the yield stress induced by the water filling and electric field could be even higher than that resulted from the solid filling. Moreover, a transition mechanism from the rod instability to shell buckling is shown to explain the nonmonotonic variation of yield stress, and the critical diameter can be tuned through filling the water molecules and applying the electric field. The present findings provide a valuable route for the optimized design and application of the nanoscale functional devices based on the water-filled CNTs.

No MeSH data available.


Related in: MedlinePlus