Using non-equilibriummolecular dynamics methods, the analysis of geometry and temperature dependent thermal conductivities of diamond nanowires is carried out. It is found that at the same temperature conditions, thermal conductivities of diamond nanowires increase with increasing lengths, ranging from 20 to 350 nm and cross-sectional areas ranging from 2 to 30 nm. At the same length, temperatu...

Shear and bulk viscosity and thermal conductivity for argon, krypton, xenon, and methane and the binary mixtures argon+krypton and argon+methane were determined by equilibrium molecular dynamics with the Green-Kubo method. The fluids were modeled by spherical Lennard-Jones pair-potentials with parameters adjusted to experimental vapor liquid-equilibria data alone. Good agreement between the pre...

in the present attempt, flow behavior and thermal convection of one type of nanofluids in a disc geometry was investigated using computational fluid dynamics (cfd). influence of gravity induced sedimentation also has been studied. the commercial software, fluent 6.2, has been employed to solve the governing equations. a user defined function was added to apply a uniform external magnetic field....

0017-9310/$ see front matter 2008 Elsevier Ltd. A doi:10.1016/j.ijheatmasstransfer.2008.10.027 * Corresponding author. E-mail address: [email protected] (D.G. The efficiency of a thermoelectric material is measured by the figure of merit ZT, which is inversely proportional to the thermal conductivity. Superlattice structures often have a reduced thermal conductivity because of the intr...

The nonequilibrium molecular dynamics (NEMD) method has been used to calculate the lattice thermal conductivities of Ar and Kr/Ar nanostructures in order to study the effects of interface scattering, boundary scattering, and elastic strain on lattice thermal conductivity. Results show that interface scattering poses significant resistance to phonon transport in superlattices and superlattice na...

Using molecular dynamics simulations, the thermal conductivity of silica-based crystals is found to be a result of two independent thermal transport mechanisms associated with atomic structure. The first mechanism is temperature independent, produces a thermal conductivity on the order of 1 W/mK, and is related to short length scale behavior. It is governed by the silicon coordination, which is...

With the ever-decreasing size of microelectronics, growing applications of superlattices, and development of nanotechnology, thermal resistances of interfaces are becoming increasingly central to thermal management. Although there has been much success in understanding thermal boundary resistance (TBR) at low temperature, the current models for room temperature TBR are not adequate. This work e...

Several heat transfer problems related to single-walled carbon nanotubes (SWNTs) are considered using molecular dynamics (MD) simulations. The Brenner potential [1] with the simplified form [2] is employed as the potential function between carbon and carbon within a nanotube. MD simulations of thermal conductivity along a nanotube, isotope effect in longitudinal thermal conductivity, and therma...

Graphene has received much attention due to its remarkable electronic properties. It also has exceptional thermal properties, such as an unusually high thermal conductivity. Understanding thermal transport of graphene is of great importance to the applications for future graphene‐based devices in energy efficient nanoelectronics. We have calculated the thermal current of symmetric...

Nanocomposite materials, including noble metal nanoparticles embedded in a dielectric host medium, are interesting because of their optical properties linked to surface plasmon resonance phenomena. For studding of nonlinear optical properties and/or energy transfer process, these materials may be excited by ultrashort pulse laser with a temporal width varying from some femtoseconds to some hund...