Molecular dynamics study of the interfacial thermal conductance of multi-walled carbon nanotubes and van der Waals force induced deformation

2017 ◽  
Vol 121 (5) ◽  
pp. 054302 ◽  
Author(s):  
Qingyuan Rong ◽  
Cheng Shao ◽  
Hua Bao
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Van Der Waals ◽  
Thermal Conductance ◽  
Van Der Waals Force ◽  
Interfacial Thermal Conductance ◽  
Multi Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

Finite Element Modeling of van der Waals Interaction for Elastic Stability of Multi-Walled Carbon Nanotubes

2008 ◽  
Vol 55-57 ◽  
pp. 525-528 ◽  
Author(s):  
Chawis Thongyothee ◽  
Somchai Chucheepsakul
Keyword(s):  
Carbon Nanotubes ◽  
Finite Element ◽  
Van Der Waals ◽  
Compressive Force ◽  
Covalent Bond ◽  
Van Der Waals Force ◽  
Tube Length ◽  
Axial Compressive Force ◽  
Multi Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

The purpose of this study is to assess the effect of van der Waals interactions within multi-walled carbon nanotubes with the three dimensional finite element models. The elastic buckling behaviors of nanotubes are treated under axial compressive force acting on open both ends of nanotubes and considered with various boundary conditions. The analysis is based on the assumptions that the covalent bond of each wall is represented by an elastic beam element while the van der Waals force of adjacent walls are represented by a nonlinear truss element following the Lennard-Jones “6-12” theory. The models of double-walled carbon nanotubes are used to explain the characteristic of multi-walled carbon nanotubes and then results compared with the column theory. The results show that the critical load of nanotubes depends on atomic arrangement, tube length, and number of walls, while the van der Waals force has a small effect on the buckling load for multi-walled carbon nanotubes.

scholarly journals Enhancement of Interfacial Thermal Conductance of SiC by Overlapped Carbon Nanotubes and Intertube Atoms

2017 ◽  
Vol 139 (5) ◽  
Author(s):  
Chengcheng Deng ◽  
Xiaoxiang Yu ◽  
Xiaoming Huang ◽  
Nuo Yang
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Silicon Carbide ◽  
Density Of States ◽  
Probability Distributions ◽  
Thermal Conductance ◽  
Nonequilibrium Molecular Dynamics ◽  
Vibrational Density Of States ◽  
Interfacial Thermal Conductance ◽  
Vibrational Density

A new way was proposed to enhance the interfacial thermal conductance (ITC) of silicon carbide (SiC) composite through the overlapped carbon nanotubes (CNTs) and intertube atoms. By nonequilibrium molecular dynamics (NEMD) simulations, the dependence of ITC on both the number of intertube atoms and the temperature was studied. It is indicated that the ITC can be significantly enhanced by adding intertube atoms and finally becomes saturated with the increase of the number of intertube atoms. And the mechanism is discussed by analyzing the probability distributions of atomic forces and vibrational density of states (VDOS). This work may provide some guidance on enhancing the ITC of CNT-based composites.

Effect of van der Waals force on wave propagation in viscoelastic double-walled carbon nanotubes

2018 ◽  
Vol 32 (24) ◽  
pp. 1850291
Author(s):  
Yugang Tang ◽  
Ying Liu
Keyword(s):  
Carbon Nanotubes ◽  
Wave Propagation ◽  
Van Der Waals ◽  
Van Der Waals Force ◽  
Strain Gradient Theory ◽  
Flexural Wave ◽  
Gradient Theory ◽  
Beam Model ◽  
Double Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

In this paper, the influence of van der Waals force on the wave propagation in viscoelastic double-walled carbon nanotubes (DWCNTs) is investigated. The governing equations of wave motion are derived based on the nonlocal strain gradient theory and double-walled Timoshenko beam model. The effects of viscosity, van der Waals force, as well as size effects on the wave propagation in DWCNTs are clarified. The results show that effects of van der Waals force on waves in inner and outer layers of DWCNTs are different. Flexural wave (FW) in outer layer and shear wave (SW) in inner layer are sensitive to van der Waals force, and display new phenomena. This new finding may provide some useful guidance in the acoustic design of nanostructures with DWCNTs as basic elements.

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