Related papers: Radial thermal rectification in the concentric sil…
Boundary scattering in hierarchically disordered nanomaterials is an effective way to reduce the thermal conductivity of thermoelectric materials and increase their performance. In this work we investigate thermal transport in silicon based…
By means of first-principles calculations, we investigate the thermal properties of silica as it evolves, under hydrostatic compression, from a stishovite phase into a CaCl$_2$-type structure. We compute the thermal conductivity tensor by…
We study nondiffusive thermal transport by phonons at small distances within the framework of the Boltzmann transport equation (BTE) and demonstrate that the transport is significantly affected by the distribution of phonons emitted by the…
Modeling and investigating the thermalization of microscopic objects with arbitrary shape from first principles is of fundamental interest and may lead to technical applications. Here, we study, over a large temperature range, the…
Surface scattering is the key limiting factor to thermal transport in dielectric crystals as the length scales are reduced or when temperature is lowered. To explain this phenomenon, it is commonly assumed that the mean free paths of heat…
Utilizing atomistic lattice dynamics and scattering theory, we study thermal transport in nanodevices made of 10 nm thick silicon nanowires, from 10 to 100 nm long, sandwiched between two bulk reservoirs. We find that thermal transport in…
We have combined the Boltzmann transport equation with an {\it ab initio} approach to compute the thermoelectric coefficients of semiconductors. Electron-phonon, ionized impurity, and electron-plasmon scattering rates have been taken into…
We consider a linear phonon Boltzmann equation with a reflecting/transmitting/absorbing interface. This equation appears as the Boltzmann-Grad limit for the energy density function of a harmonic chain of oscillators with inter-particle…
Molecular hydrogen in silicon has been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 300 to 900 K. Interatomic…
We show that the local temperature dependence of thermalized electron and phonon populations along metallic carbon nanotubes is the main reason behind this non-linear transport characteristics in the high bias regime. Our model that…
We report a theoretical model for a thermal transistor in dielectric four-terminal nanostructures based on mesoscopic ballistic phonon transport, in which a steady thermal flow condition of system is obtained to set up the temperature field…
We investigate thermal rectification in nanoporous silicon using a semi-classical Monte Carlo (MC) simulation method. We consider geometrically asymmetric nanoporous structures, and investigate the combined effects of porosity, inter-pore…
The thermal conductivity of nanostructures needs to be as small as possible so that it will have a greater efficiency for solid-state electricity generation/refrigeration by thermoelectrics. We studied how the period length and the mass…
Thermal conductivity in dielectric crystals is the result of the relaxation of lattice vibrations described by the phonon Boltzmann transport equation. Remarkably, an exact microscopic definition of the heat carriers and their relaxation…
Tuning thermal transport in nanostructured materials is a powerful approach to develop high-efficiency thermoelectric materials. Using a recently developed approach based on the phonon mean free path dependent Boltzmann transport equation,…
The occurrence of thermal transport phenomena is widespread, exerting a pivotal influence on the functionality of diverse electronic and thermo-electric energy-conversion devices. The traditional first-principles theory governing the…
We present a comprehensive and systematic study of thermal rectification in a prototypical low-dimensional quantum system -- a non-linear resonator: we identify necessary conditions to observe thermal rectification and we discuss strategies…
In this work using non-equilibrium molecular dynamics simulation we implement a series of simulation under positive and negative temperature gradient in order to investigate the thermal rectification in the graphene C3B junction GCB. The…
Ballistic phonon effects, arising on length scales comparable to the mean-free-path, result in non-diffusive heat flow and alter the thermal properties of materials. Simple theoretical models that accurately capture non-diffusive transport…
The control of thermal fluxes -- magnitude and direction, in mesoscale and nanoscale electronic circuits can be achieved by means of heat rectification using thermal diodes in two-terminal systems. The rectification coefficient…