Miniaturization of electronic devices aims at manufacturing ever smaller products, from
mesoscopic to nanoscopic sizes. This trend is challenging because the increased levels of …

We predict the bulk thermal conductivity of Lennard-Jones argon and Stillinger-Weber
silicon using the Green-Kubo (GK) and direct methods in classical molecular dynamics …

Applying stress/strain on a material provides a mechanism to tune the thermal conductivity of
materials dynamically or on demand. Experimental and simulation results have shown that …

Over the last decades, molecular dynamics simulations have been extensively used to
calculate lattice heat conduction in nanomaterials and bulk materials, as the realistic …

We report on the effect of germanium (Ge) coatings on the thermal transport properties of
silicon (Si) nanowires using nonequilibrium molecular dynamics simulations. Our results …

Silicene is a monolayer of silicon atoms arranged in honeycomb lattice similar to graphene.
We study the thermal transport in silicene by using non-equilibrium molecular dynamics …

Thermal conductivity of graphene nanoribbons (GNR) with length 106 Å and width 4.92 Å
after isotopic doping is investigated by molecular dynamics with quantum correction. Two …

Nanostructuring of thermoelectric materials bears promise for manipulating physical
parameters to improve the energy conversion efficiency of thermoelectrics. Using …

We show that thermal rectification by design is possible by joining/growing Si nanowires
(SiNWs) with sections of appropriately selected diameters (ie, telescopic nanowires). This is …

Thermal conductivity prediction remains an important subject in many scientific and
engineering areas. Only recently has such prediction become possible on the basis of the …