Study of the thermal conductivity of a metal-coated multi-walled carbon nanotube using molecular dynamics atomistic simulations

MRS Advances ◽  
2019 ◽  
Vol 4 (08) ◽  
pp. 507-513 ◽  
Author(s):  
Dinesh Bommidi ◽  
Ravindra Sunil Dhumal ◽  
Iman Salehinia
Keyword(s):  
Heat Transfer ◽  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Phonon Scattering ◽  
Metal Coating ◽  
Atomistic Simulations ◽  
Multi Walled Carbon Nanotube

ABSTRACTThermal conductivity of a nickel-coated tri-wall carbon nanotube was studied using molecular dynamics where both the phonon and electron contributions were considered. Simulations predicted a significant effect of the metal coating on the thermal conductivity, i.e. 50% decrease for 1.2 nm of Ni coating. However, the decreasing rate of the thermal conductivity is minuscule for the metal thicker than 1.6 nm. The smaller thermal conductivity of the metal coating, phonon scattering at the interface, and less impacted heat transfer on the inner tubes of the carbon nanotube rationalized the observed trends.

A Molecular Dynamics Study of Thermal Conductivity in Nanocomposites via the Phonon Wave Packet Method

2009 ◽  
Author(s):  
Zhiting Tian ◽  
Sang Kim ◽  
Ying Sun ◽  
Bruce White
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Wave Packet ◽  
Molecular Dynamics Simulations ◽  
Phonon Scattering ◽  
Flow Direction ◽  
Normal Incidence ◽  
Material Interfaces ◽  
Non Equilibrium Molecular Dynamics ◽  
Dynamics Simulations

The phonon wave packet technique is used in conjunction with the molecular dynamics simulations to directly observe phonon scattering at material interfaces. The phonon transmission coefficient of nanocomposites is examined as a function of the defect size, thin film thickness, orientation of interface to the heat flow direction. To generalize the results based on phonons in a narrow frequency range and at normal incidence, the effective thermal conductivity of the same nanocomposite structure is calculated using non-equilibrium molecular dynamics simulations for model nanocomposites formed by two mass-mismatched Ar-like solids and heterogeneous Si-SiCO2 systems. The results are compared with the modified effective medium formulation for nanocomposites.

Fast mass transport-assisted convective heat transfer through a multi-walled carbon nanotube array

Nanoscale ◽  
2018 ◽  
Vol 10 (48) ◽  
pp. 23103-23112 ◽  
Author(s):  
Wonjae Jeon ◽  
Taehun Kim ◽  
Sung-Min Kim ◽  
Seunghyun Baik
Keyword(s):  
Heat Transfer ◽  
Carbon Nanotube ◽  
Mass Transport ◽  
Convection Heat Transfer ◽  
Nanotube Arrays ◽  
Convection Heat ◽  
Nanotube Array ◽  
Carbon Nanotube Array ◽  
Carbon Nanotube Arrays ◽  
Multi Walled Carbon Nanotube

Fast mass transport-assisted forced convection heat transfer of air is realized through the interstitial space of multi-walled carbon nanotube arrays.

Measurements on the Thermal Conductivity of Epoxy/Carbon-Nanotube Composite

2008 ◽  
Author(s):  
Cheng-Hsiung Kuo ◽  
Hwei-Ming Huang
Keyword(s):  
Heat Transfer ◽  
Thermal Conductivity ◽  
Composite Material ◽  
Carbon Nanotube ◽  
Epoxy Resins ◽  
Epoxy Composite ◽  
Heat Generation Rate ◽  
Transfer Rates ◽  
Pure Epoxy ◽  
Carbon Nanotube Composite

This study measures the thermal conductivity of the MWNT/epoxy bulk composite material to enhance the heat transfer rates of the high power LED device. In this study, three different weight percentages (0.0 wt%, 0.3 wt% and 0.5 wt%) of MWNT/Epoxy composite and five different heat generating rates were employed for the investigation. The case of pure epoxy resins (0.0 wt%) was used as a reference. The responding time and the thermal conductivity of the composites were evaluated. The results show that the response is the fastest for composite with 0.5 wt% MWNT among three composites studied herein. The responses of the 0.3%wt and 0.5%wt composite are increased by 14.3%∼26.7% relative to that of the pure epoxy. Compare with that of the pure epoxy, the thermal conductivities for the cases with 0.3 wt% and 0.5 wt% MWNT/epoxy composite are increased by 15.9%∼44.9%. Further, the thermal conductivity does not vary with temperature for the temperature range studied herein. In the present study, the thermal conductivity of the composite material is found to increase mildly with the increasing heat generation rate.

scholarly journals Thermal conductivity reduction in carbon nanotube by fullerene encapsulation: A molecular dynamics study

Carbon ◽  
2020 ◽  
Vol 161 ◽  
pp. 800-808
Author(s):  
Haikuan Dong ◽  
Zheyong Fan ◽  
Ping Qian ◽  
Tapio Ala-Nissila ◽  
Yanjing Su
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Carbon Nanotube

Heat transfer in microcellular polystyrene/multi-walled carbon nanotube nanocomposite foams

Carbon ◽  
2015 ◽  
Vol 93 ◽  
pp. 819-829 ◽  
Author(s):  
Pengjian Gong ◽  
Piyapong Buahom ◽  
Minh-Phuong Tran ◽  
Mehdi Saniei ◽  
Chul B. Park ◽  
...  
Keyword(s):  
Heat Transfer ◽  
Carbon Nanotube ◽  
Nanocomposite Foams ◽  
Multi Walled Carbon Nanotube

scholarly journals Ultra-low Thermal Conductivity in Si/Ge Hierarchical Superlattice Nanowire

2015 ◽  
Vol 5 (1) ◽  
Author(s):  
Xin Mu ◽  
Lili Wang ◽  
Xueming Yang ◽  
Pu Zhang ◽  
Albert C. To ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Silicon Germanium ◽  
Phonon Scattering ◽  
Low Thermal Conductivity ◽  
Structural Hierarchy ◽  
Si Nanowire ◽  
Hierarchical Structuring ◽  
Simulation Results ◽  
Dynamics Simulations

Abstract Due to interfacial phonon scattering and nanoscale size effect, silicon/germanium (Si/Ge) superlattice nanowire (SNW) can have very low thermal conductivity, which is very attractive for thermoelectrics. In this paper, we demonstrate using molecular dynamics simulations that the already low thermal conductivity of Si/Ge SNW can be further reduced by introducing hierarchical structure to form Si/Ge hierarchical superlattice nanowire (H-SNW). The structural hierarchy introduces defects to disrupt the periodicity of regular SNW and scatters coherent phonons, which are the key contributors to thermal transport in regular SNW. Our simulation results show that periodically arranged defects in Si/Ge H-SNW lead to a ~38% reduction of the already low thermal conductivity of regular Si/Ge SNW. By randomizing the arrangement of defects and imposing additional surface complexities to enhance phonon scattering, further reduction in thermal conductivity can be achieved. Compared to pure Si nanowire, the thermal conductivity reduction of Si/Ge H-SNW can be as large as ~95%. It is concluded that the hierarchical structuring is an effective way of reducing thermal conductivity significantly in SNW, which can be a promising path for improving the efficiency of Si/Ge-based SNW thermoelectrics.

Coupling Between Phonons and Fluid Particles in Water/Carbon Nanotube Systems

2009 ◽  
Author(s):  
A. J. H. McGaughey ◽  
J. A. Thomas ◽  
J. Turney ◽  
R. M. Iutzi
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Relaxation Times ◽  
Mean Free Path ◽  
Phonon Transport ◽  
Dynamics Simulation ◽  
Spectral Energy ◽  
Total Thermal Conductivity ◽  
Phonon Modes

We investigate thermal transport in water/carbon nanotube (CNT) composite systems using molecular dynamics simulations. Carbon-carbon interactions are modeled using the second-generation REBO potential, water-water interactions are modeled using the TIP4P potential, and carbon-water interactions are modeled using a Lennard-Jones potential. The thermal conductivities of empty and water-filled CNTs with diameters between 0.83 nm and 1.66 nm are predicted using molecular dynamics simulation and a direct application of the Fourier law. For empty CNTs, the thermal conductivity decreases with increasing CNT diameter. As the CNT length approaches 1 micron, a length-independent thermal conductivity is obtained, indicative of diffusive phonon transport. When the CNTs are filled with water, the thermal conductivity decreases compared to the empty CNTs and transitions to diffusive phonon transport at shorter lengths. To understand this behavior, we calculate the spectral energy density of the empty and water-filled CNTs and calculate the mode-specific group velocities, relaxation times, and thermal conductivity. For the empty 1.10 nm diameter CNT, we show that the acoustic phonon modes account for 65 percent of the total thermal conductivity. This behavior is attributed to their long mean-free paths. When the CNT is filled with water, interactions with the water molecules shorten the acoustic mode mean-free path and lower the overall CNT thermal conductivity.

Sign in / Sign up

Export Citation Format

Share Document