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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 average post-buckling stresses of the CNTs in the three cases under the compressive load.
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f5: The average post-buckling stresses of the CNTs in the three cases under the compressive load.

Mentions: It should be noted from the stress-strain curves that the buckled CNTs can still withstand a small compressive force. The resistant stress of the buckled CNTs, which is defined to be the post-buckling stress, only slightly decreases as the strain increases. The average post-buckling stresses of the buckled CNTs are shown in Fig. 5. The results indicate that the average post-buckling stress decreases firstly and then increases with the diameter of the empty CNTs. The average of the five average post-buckling stresses (five square samples) is about 0.034 ± 0.007 TPa. For the water-filled CNTs, the corresponding average value is increased by ~41.2% (0.048 ± 0.006 TPa). When the axial electric field with the intensity of 0.5 V/Å is applied, the average post-buckling stress of the five water-filled CNTs is increased to 0.053 ± 0.004 TPa, and the improvement in this case is about 55.9%. The present results demonstrate that the buckled CNTs could play a weak mechanical role, and water filling and electric field can enhance the mechanical performance of the buckled CNTs. It has been shown that the CNT can well maintain its structure even under a large deformation2627. Hence, this weak and controllable mechanical property of the buckled CNTs may be significant for designing the restorable CNT-based devices to perform overloading tasks.


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 average post-buckling stresses of the CNTs in the three cases under the compressive load.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

f5: The average post-buckling stresses of the CNTs in the three cases under the compressive load.
Mentions: It should be noted from the stress-strain curves that the buckled CNTs can still withstand a small compressive force. The resistant stress of the buckled CNTs, which is defined to be the post-buckling stress, only slightly decreases as the strain increases. The average post-buckling stresses of the buckled CNTs are shown in Fig. 5. The results indicate that the average post-buckling stress decreases firstly and then increases with the diameter of the empty CNTs. The average of the five average post-buckling stresses (five square samples) is about 0.034 ± 0.007 TPa. For the water-filled CNTs, the corresponding average value is increased by ~41.2% (0.048 ± 0.006 TPa). When the axial electric field with the intensity of 0.5 V/Å is applied, the average post-buckling stress of the five water-filled CNTs is increased to 0.053 ± 0.004 TPa, and the improvement in this case is about 55.9%. The present results demonstrate that the buckled CNTs could play a weak mechanical role, and water filling and electric field can enhance the mechanical performance of the buckled CNTs. It has been shown that the CNT can well maintain its structure even under a large deformation2627. Hence, this weak and controllable mechanical property of the buckled CNTs may be significant for designing the restorable CNT-based devices to perform overloading tasks.

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