• Advances in nano research
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• v.9 no.2
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• pp.69-82
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• 2020

In this paper, a new explicit analytical formula is derived for the critical buckling load of Double Walled Carbon Nanotubes (DWCNTs) embedded in Winkler elastic medium without taking into account the effects of the nonlocal parameter, which indicates the effects of the surrounding elastic matrix combined with the intertube Van der Waals (VdW) forces. Furthermore, we present a model which predicts that the critical axial buckling load embedded in Winkler, Pasternak or Kerr elastic medium under axial compression using the nonlocal Donnell shell theory, this model takes into account the effects of internal small length scale and the VdW interactions between the inner and outer nanotubes. The present model predicts that the critical axial buckling load of embedded DWCNTs is greater than that without medium under identical conditions and parameters. We can conclude that the embedded DWCNTs are less susceptible to axial buckling than those without medium.

• Advances in nano research
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• v.11 no.6
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• pp.581-593
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• 2021

This model is proposed to describe the buckling behavior of Carbon Nanotubes (CNTs) embedded in an elastic medium taking into account the combined effects of the magnetic field, the temperature, the nonlocal parameter, the number of walls. Using Eringen's nonlocal elasticity theory, thin cylindrical shell theory and Van der Waal force (VdW) interactions, we develop a system of partial differential equations governing the buckling response of CNTs embedded on Winkler, Pasternak, and Kerr foundations in a thermal-magnetic environment. The pre-buckling stresses are obtained by applying airy's stress function and an adjacent equilibrium criterion. To estimate the nonlocal critical buckling load of CNTs under the simultaneous effects of the magnetic field, the temperature change, and the number of walls, an optimization technique is proposed. Furthermore, analytical formulas are developed to obtain the buckling behavior of SWCNTs embedded in an elastic medium without taking into account the effects of the nonlocal parameter. These formulas take into account VdW interactions between adjacent tubes and the effect of terms involving differences in tube radii generally neglected in the derived expressions of the critical buckling load published in the literature. Most scientific research on modeling the effects of magnetic fields is based on beam theories, this motivation pushes me to develop a cylindrical shell model for studying the effect of the magnetic field on the static behavior of CNTs. The results show that the magnetic field has significant effects on the static behavior of CNTs and can lead to slow buckling. On the other hand, thermal effects reduce the critical buckling load. The findings in this work can help us design of CNTs for various applications (e.g. structural, electrical, mechanical and biological applications) in a thermal and magnetic environment.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.18 no.12
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• pp.1092-1100
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• 2005

We investigated a carbon nanotube (CNT) oscillator controlled by the thermal gas expansion using classical molecular dynamics simulations. When the temperature rapidly increased, the force on the CNT oscillator induced by the thermal gas expansion rapidly increased and pushed out the CNT oscillator. As the CNT oscillator extruded from the outer nanotube, the suction force on the CNT oscillator increased by the excess van der Waals(vdW) energy. When the CNT oscillator reached at the maximum extrusion point, the CNT oscillator was encapsulated into the outer nanotube by the suction force. Therefore, the CNT oscillator could be oscillated by both the gas expansion and the excess vdW interaction. As the temperature increased, the amplitude of the CNT oscillator increased. At the high temperatures, the CNT oscillator escaped from the outer nanotube, because the force on the CNT oscillator due to the thermal gas expansion was higher than the suction force due to the excess vdW energy. By the appropriate temperature controls, such as the maximum temperature, the heating rate, and the cooling rate, the CNT oscillator could be operated.

• Coupled systems mechanics
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• v.6 no.3
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• pp.273-286
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• 2017

We present a simple and easy-to-implement lumped stiffness model to elucidate the load transfer mechanism among all individual tube shells and intertube van der Waals (vdW) interactions in transversely compressed multi-walled carbon nanotubes (CNTs). Our model essentially enables theoretical predictions to be made of the relevant transverse mechanical behaviors of multi-walled tubes based on the transverse stiffness properties of single-walled tubes. We demonstrate the validity and accuracy of our model and theoretical predictions through a quantitative study of the transverse deformability of double- and triple-walled CNTs by utilizing our recently reported nanomechanical measurement data. Using the lumped stiffness model, we further evaluate the contribution of each individual tube shell and intertube vdW interaction to the strain energy absorption in the whole tube. Our results show that the innermost tube shell absorbs more strain energy than any other individual tube shells and intertube vdW interactions. Nanotubes of smaller number of walls and outer diameters are found to possess higher strain energy absorption capacities on both a per-volume and a per-weight basis. The proposed model and findings on the load transfer and the energy absorption in multi-walled CNTs directly contribute to a better understanding of their structural and mechanical properties and applications, and are also useful to study the transverse mechanical properties of other one-dimensional tubular nanostructures (e.g., boron nitride nanotubes).

• Proceedings of the Korean Vacuum Society Conference
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• 2013.02a
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• pp.213-213
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• 2013

Even weak van der Waals (vdW) adhesion between two-dimensional solids may perturbtheir various materials properties owing to their low dimensionality. Although the electronic structure of graphene has been predicted to be modified by the vdW interaction with other materials, its optical characterization has not been successful. In this report, we demonstrate that Raman spectroscopy can be utilized to detect a few % decrease in the Fermi velocity ($v_F$) of graphene caused by the vdW interaction with underlying hexagonal boron nitride (hBN). Our study also establishes Raman spectroscopic analysis which enables separation of the effects by the vdW interaction from those by mechanical strain or extra charge carriers. The analysis reveals that spectral features of graphene on hBN are mainly affected by change in vF and mechanical strain, but not by charge doping unlike graphene supported on $SiO_2$ substrates. Graphene on hBN was also found to be less susceptible to thermally induced hole doping.

• Proceedings of the Korean Vacuum Society Conference
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• 2014.02a
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• pp.160.1-160.1
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• 2014

Using a density functional theory calculation including van der Waals (vdW) corrections, we report that $H_2$ adsorption in a cubic-crystalline microporous metal-organic framework (MOF-5) leads to volume shrinkage, which is in contrast to the intuition that gas adsorption in a confined system (e.g., pores in a material) increases the internal pressure and then leads to volumetric expansion. This extraordinary phenomenon is closely related to the vdW interactions between MOF and $H_2$ along with the $H_2$-$H_2$ interaction, rather than the Madelung-type electrostatic interaction. At low temperatures, $H_2$ molecules adsorbed in the MOF-5 form highly symmetrical interlinked nanocages that change from a cube-like shape to a sphere-like shape with $H_2$ loading, helping to exert centrosymmetric forces and hydrostatic (volumetric) stresses from the collection of dispersive interactions. The generated internal negative stress is sufficient to overcome the stiffness of the MOF-5 which is a soft material with a low bulk modulus (15.54 GPa).

• Bulletin of the Korean Chemical Society
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• v.31 no.8
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• pp.2247-2254
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• 2010

The surface structures of copper phthalocyanine (CuPc) thin films deposited on sulphur-passivated and plane perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA)-covered InAs(100) surfaces have been studied by low energy electron diffraction (LEED) and van der Waals (vdW) intermolecular interaction energy calculations. The annealing to $300^{\circ}C$ and $450^{\circ}C$ of $(NH_4)_2S_x$-treated InAs(100) substrates produces a ($1{\times}1$) and ($2{\times}1$) S-passivated surface respectively. The CuPc deposition onto the PTCDA-covered InAs(100) surface leads to a ring-like diffraction pattern, indicating that the 2D ordered overlayer exists and the structure is dominantly determined by the intermolecular interactions rather than substrate-molecule interactions. However, no ordered LEED patterns were observed for the CuPc on S-passivated InAs(100) surface. The intermolecular interaction energy calculations have been carried out to rationalise this structural difference. In the case of CuPc unit cells on PTCDA layer, the planar layered CuPc structure is more stable than the $\alpha$-herringbone structure, consistent with the experimental LEED results. For CuPc unit cells on a S-($1{\times}1$) layer, however, the $\alpha$-herringbone structure is more stable than the planar layered structure, consistent with the absence of diffraction pattern. The results show that the lattice structure during the initial stages of thin film growth is influenced strongly by the intermolecular interactions at the interface.