Related papers: Effective thermal conductivity of rectangular nano…
The existence of net flux across the nanochannels under the asymmetrical static electric fields obtained at room temperature from molecular dynamics (MD) simulations [Nat. Nanotechnol. 2, 709 (2007); Phys. Rev. Lett. 101, 064502 (2008)] has…
In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for crystalline volume fractions larger than 5% is found, which…
As a critical way to modulate thermal transport in nanostructures, phonon resonance hybridization has become an issue of great concern in the field of phonon engineering. In this work, we optimized phonon transport across graphene…
We determine the size effect on the lattice thermal conductivity of nanoscale wire and multilayer structures formed in and by some typical semiconductor materials, using the Boltzmann transport equation and focusing on the Knudsen flow…
The effects of size, strain, and vacancies on thermal properties of armchair black phosphorus nanotubes are investigated based on qualitative analysis from molecular dynamics simulations. It is found that the thermal conductivity has a…
Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal properties of the so-called nanoporous graphene (NPG) sheet which contains a series of nanoporous in an ordered way and was synthesized recently (Science 360…
Understanding heat transport in organic semiconductors is of fundamental and practical relevance. Therefore, we study the lattice thermal conductivities of a series of (oligo)acenes, where an increasing number of rings per molecule leads to…
We present a formulation of a nonequilibrium Green's function method for thermal current in nanojunction atomic systems with nonlinear interactions. This first-principle approach is applied to the calculation of the thermal conductance in…
We perform molecular dynamics simulations to investigate the reduction of the thermal conductivity by kinks in silicon nanowires. The reduction percentage can be as high as 70% at room temperature. The temperature dependence of the…
Thermal conductivities are routinely calculated in molecular dynamics simulations by keeping the boundaries at different temperatures and measuring the slope of the temperature profile in the bulk of the material, explicitly using Fourier's…
The temperature distribution in nanowires due to Joule heating is studied analytically using a continuum model and a Green's function approach. We show that the temperatures reached in nanowires can be much lower than that predicted by bulk…
The thermal conductivity of nanoparticles colloidal suspensions, submitted to the action of an external force field has been calculated by non equilibrium molecular dynamics simulations. For driven forces in the radio frequency and…
The ability to engineer the thermal conductivity of materials allows us to control the flow of heat and derive novel functionalities such as thermal rectification, thermal switching, and thermal cloaking. While this could be achieved by…
We have developed an efficient scalable kernel method for thermal transport in open systems, with which we have computed the thermal conductance of a junction between bulk silicon and silicon nanowires with diameter up to 10 nm. We have…
Materials capable of highly efficient, direct thermal-to-electric energy conversion would have substantial economic potential. Theory predicts that thermoelectric efficiencies approaching the Carnot limit can be achieved at low temperatures…
We derive a continuum sharp-interface model for moving contact lines with soluble surfactants in a thermodynamically consistent framework. The model consists of the isothermal two-phase incompressible Navier-Stokes equations for the fluid…
It is known that the figure of merit ($ZT$) of thin nanowires can be significantly enhanced at room temperature due to the reduction of phonon thermal conductance arising from the increase of boundary scattering of phonons. It is expected…
We review the Raman shift method as a non-destructive optical tool to investigate the thermal conductivity and demonstrate the possibility to map this quantity with a micrometer resolution by studying thin film and bulk materials for…
We explore the effects of geometry on the thermal conductivity (kappa) of silicon and germanium nanowires, with lengths between 10-120 nm and diameters up to 5-6 nm. To this end we perform molecular dynamics simulations with the LAMMPS…
Semi-crystalline polymers have been shown to have greatly increased thermal conductivity compared to amorphous bulk polymers due to effective heat conduction along the covalent bonds of the backbone. However, the mechanisms governing the…