相关论文: Water transport inside a single-walled carbon nano…
Multiwalled carbon nanotubes based nanomachines driven by thermal bath are proposed in this Letter. Atomistic simulation shows that intershell translational and rotational motion can be activated at sufficiently high temperature, where the…
We report spontaneous translocation of small interfering RNA (siRNA) inside carbon nanotubes (CNTs) of various diameters and chirality using all atom molecular dynamics (MD) simulations with explicit solvent. We use Umbrella sampling method…
The thermal transport properties of porous silicon and nano-hybrid "porous silicon/water" systems are presented here. The thermal conductivity was evaluated with equilibrium molecular dynamics technique for porous systems made of spherical…
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.…
The electrical characteristics of a carbon nanotube can be significantly modified by applying elastic strain. This study focuses on exploring this phenomenon in a single-walled carbon nanotube (SWNT) using tight-binding transport…
A simple model for the friction experienced by the one dimensional water chains that flow through subnanometer diameter carbon nanotubes is studied. The model is based on a lowest order perturbation theory treatment of the friction…
Transport of nanoscale objects in complex, structured environments plays a key role in a wide range of processes, from biomolecular dynamics in extracellular spaces to transport in porous materials such as filters and catalysts. While…
Exploring the synthesis of novel molecular nanostructures has been in the forefront of material research in the last decade. One of the most interesting nanostructures are single wall carbon nanotubes (SWCNTs). Their catalyst free growth,…
We perform molecular dynamics simulations of 512 water-like molecules that interact via the TIP5P potential and are confined between two smooth hydrophobic plates that are separated by 1.10 nm. We find that the anomalous thermodynamic…
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…
Anomalous heat transport in one-dimensional nanostructures, such as nanotubes and nanowires, is a widely debated problem in condensed matter and statistical physics, with contradicting pieces of evidence from experiments and simulations.…
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…
Single-walled carbon nanotubes (SWNTs) have many interesting properties; they may be metallic or semiconducting depending on their diameter and helicity of the graphene sheet. Hydrostatic or quasi-hydrostatic high pressures can probe many…
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)…
Understanding transport behavior in nanoconfined environments is critical to many natural and engineering systems, including cementitious materials, yet its molecular-level mechanisms remain poorly understood. Here, molecular dynamics (MD)…
We report on the intershell electron transport in multiwalled carbon nanotubes (MWNT). To do this, local and nonlocal four-point measurements are used to study the current path through the different shells of a MWNT. For short electrode…
The high-bias electrical transport properties of suspended metallic single-walled carbon nanotubes (SWNTs) are investigated at various temperatures in vacuum, in various gases and when coated with molecular solids. It is revealed that…
This study explores the mixed convection of carbon nanotube (CNT)-water nanofluid within a square cavity containing heated cylinders under the influence of a magnetic field, focusing on three geometric configurations: a single heated…
We investigate thermal energy coupling between carbon nanotubes (CNTs) and SiO2 with non-equilibrium molecular dynamics simulations. The thermal boundary conductance (g) per unit CNT length is found to scale proportionally with the strength…
Carbon nanotubes are a good realization of one-dimensional crystals where basic science and potential nanodevice applications merge. Defects are known to modify the electrical resistance of carbon nanotubes. They can be present in as-grown…