相关论文: Molecular Dynamics Simulation of Thermal Boundary …

We study high-field electrical breakdown and heat dissipation from carbon nanotube (CNT) devices on SiO2 substrates. The thermal "footprint" of a CNT caused by van der Waals interactions with the substrate is revealed through molecular…

Heat dissipation in electrically biased semiconducting carbon nanotubes (CNTs) on single crystal quartz and amorphous SiO2 is examined with temperature profiles obtained by spatially resolved Raman spectroscopy. Despite the differences in…

We study heat dissipation from a (10,10) CNT to a SiO2 substrate using equilibrium and non-equilibrium classical molecular dynamics. The CNT-substrate thermal boundary conductance (TBC) is computed both from the relaxation time of the…

The heat flux autocorrelation functions of carbon nanotubes (CNTs) with different radius and lengths is calculated using equilibrium molecular dynamics. The thermal conductance of CNTs is also calculated using the Green-Kubo relation from…

The thermal properties of a suspended metallic single-wall carbon nanotube (SWNT) are extracted from its high-bias (I-V) electrical characteristics over the 300-800 K temperature range, achieved by Joule self-heating. The thermal…

We propose to use l_0/(l_0+L) for the energy transmission covering both ballistic and diffusive regimes, where l_0 is mean free path and L is system length. This formula is applied to heat conduction in carbon nanotubes (CNTs). Calculations…

In this dissertation, thermal and electrical properties of aligned multiwall carbon nanotubes (MWNTs) prepared by thermal decomposition of hydrocarbons have been experimentally studied. The thesis consists of six chapters. Ch1 is an…

Order(N) Tight-Binding Molecular Dynamics (TBMD) simulations are performed to investigate the thermal stability of (10,10) metallic Single-Walled Carbon Nanotubes (SWCNT). Periodic boundary conditions (PBC) are applied in axial direction.…

The thermal conductivity, k(T), of bulk single-wall carbon nanotubes (SWNT's) displays a linear temperature dependence at low T that has been attributed to 1D quantization of phonons. To explore this issue further, we have measured the k(T)…

Carbon nanotube (CNT) have been known to increase the heat transfer at the solid-liquid interfaces, but have a limitation due to the interfacial thermal resistance. Vibrational mismatch at the interface leads to this interfacial thermal…

This paper examines the effect of temperature on the structural stability and mechanical properties of 20 layered (10,10) single walled carbon nanotubes (SWCNTs) under tensile loading using an O(N) tight binding molecular dynamics (TBMD)…

We calculate the thermoelectric power (or thermopower) of many semiconducting single wall carbon nanotubes (s-SWNTs) within a diameter range 0.5-1.5 nm by using the Boltzmann transport formalism combined with an extended tight-binding…

Heat conduction of single-walled carbon nanotubes (SWNTs) isotope-superlattice is investigated by means of classical molecular dynamics simulations. Superlattice structures were formed by alternately connecting SWNTs with different masses.…

We present the results of analytical study and Molecular Dynamics simulation of low energy nonlinear non-stationary dynamics of single-walled carbon nanotubes (CNTs). New phenomena of intensive energy exchange between different parts of CNT…

Individual carbon nanotubes (CNTs) possess extremely high thermal conductivities. However, the thermal conductivities and their anisotropy of macroscopic assemblies of CNTs have so far remained small. Here, we report results of directional…

Investigating thermal transport in van der Waals heterostructure is of scientific interest and practical importance for their applications in a broad range. In this work, thermal conductivity of one-dimensional heterostructure consisting of…

The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a ``frozen-phonon'' scheme. An interesting diameter and chirality…

Calculations of the conductance of a carbon nanotube (CNT)-molecule-CNT structure are in agreement with experimental measurements [1]. The features in the transmission correspond directly to the features of the isolated molecular orbitals.…

The performance of carbon nanotube (CNT) cables, a contender for copper-wire replacement, is tied to its metallic and semi-conducting-like conductivity responses with temperature; the origin of the semi-conducting-like response however is…

The heat capacity of bundles of closed-cap single-walled carbon nanotubes (SWNT) with one-dimensional chains of nitrogen molecules adsorbed in the grooves has been first experimentally studied at temperatures from 2K to 40K using an…