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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 elastic modulus of the CNTs in the three cases.The five columns in each case correspond to the elastic moduli 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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f2: The elastic modulus of the CNTs in the three cases.The five columns in each case correspond to the elastic moduli 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: The elastic moduli of the empty CNTs, the water-filled CNTs and the water-filled CNTs under the electric fields of 0.5 V/Å are given in Fig. 2. The elastic modulus is defined as the slope of the linear stress-strain relationship in the whole elastic stage. The five columns in the three groups correspond to the elastic moduli of the (6, 6), (8, 8), (10, 10), (12, 12) and (16, 16) CNTs, respectively. Here, the elastic modulus and Poisson’s ratio are considered as the material properties which are independent on the characteristic size. For the empty CNTs, the average elastic modulus is 5.43  ± 0.21 TPa, which is consistent with 5.5 TPa as reported in the previous work based on the same CNT thickness22. As for the water-filled CNTs, the average elastic modulus is enhanced to be 5.56 ± 0.22 TPa, which is due to the additional support from the incompressible water. When the axial electric field is applied, the elastic modulus only has a small increase (5.60 ± 0.23 TPa). The results indicate that the filling of water molecules and the introduction of electric field could slightly enhance the elastic modulus of the CNTs.


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 elastic modulus of the CNTs in the three cases.The five columns in each case correspond to the elastic moduli 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

f2: The elastic modulus of the CNTs in the three cases.The five columns in each case correspond to the elastic moduli 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: The elastic moduli of the empty CNTs, the water-filled CNTs and the water-filled CNTs under the electric fields of 0.5 V/Å are given in Fig. 2. The elastic modulus is defined as the slope of the linear stress-strain relationship in the whole elastic stage. The five columns in the three groups correspond to the elastic moduli of the (6, 6), (8, 8), (10, 10), (12, 12) and (16, 16) CNTs, respectively. Here, the elastic modulus and Poisson’s ratio are considered as the material properties which are independent on the characteristic size. For the empty CNTs, the average elastic modulus is 5.43  ± 0.21 TPa, which is consistent with 5.5 TPa as reported in the previous work based on the same CNT thickness22. As for the water-filled CNTs, the average elastic modulus is enhanced to be 5.56 ± 0.22 TPa, which is due to the additional support from the incompressible water. When the axial electric field is applied, the elastic modulus only has a small increase (5.60 ± 0.23 TPa). The results indicate that the filling of water molecules and the introduction of electric field could slightly enhance the elastic modulus of the CNTs.

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