Related papers: Ballistic thermal rectification in nanoscale three…
We present an approach to calculate ballistic phonon transport that combines the atomistic Green's function (AGF) method with ab initio results. For the inter atomic potential we use the harmonic approach. The equilibrium positions of the…
Quantum thermal transport in armchair and zig-zag graphene nanoribbons are investigated in the presence of single atomic vacancies and subject to different boundary conditions. We start with a full comparison of the phonon polarizations and…
We investigate the spin-polarized ballistic transport in a three-terminal Zigzag graphene nanoribbon (ZGNR) device using a tight binding model, non-equilibrium Green function formalism within the Landauer-B\"{u}ttiker framework. We study…
Efficiently capturing the three-dimensional spatiotemporal distributions of temperature is of great significance for alleviating hotspot issues in 3D FinFETs. However, most previous thermal simulations mainly focused on the steady-state…
We present a study of the phononic thermal conductivity of isotopically disordered carbon nanotubes. In particular, the behavior of the thermal conductivity as a function of the system length is investigated, using Green's function…
Thermoelectric devices at the nanoscale offer promising routes for on-chip refrigeration and waste-heat recovery, yet most semiconductor-based implementations suffer from limited tunability and narrow operational ranges. We introduce a…
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…
Quantum thermal transport in two-quantum-dot system with Dzyaloshinskii-Moriya interaction (DM interaction) has been studied. The sign of thermal rectification can be controlled through changing the energy splitting or the DM interaction…
In the present work, we theoretically analyze the steady-state thermoelectric transport through a single-molecule junction with a vibrating bridge. Thermally induced charge current in the system is explored using a nonequilibrium Green's…
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…
The thermoelectric transport through a molecular bridge is discussed, with an emphasis on the effects of inelastic processes of the transport electrons caused by the coupling to the vibrational modes of the molecule. In particular it is…
We present here a theoretical method to determine the phononic contribution to the thermal conductance of nanoscale systems in the phase-coherent regime. Our approach makes use of classical molecular dynamics (MD) simulations to calculate…
We study the electronic transport in a molecular junction in which each site is coupled to a local phonon bath using the non-equilibrium Green's function method. We observe the length period of the oscillatory conductance in odd-numbered…
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 use the fundamental nonequilibrium steady-state fluctuation symmetry and derive a condition on the validity of the thermodynamic uncertainty relation (TUR) in thermal transport problems, classical or quantum alike. We test this condition…
Controlling the direction and magnitude of both heat and electronic currents using rectifiers has significant implications for the advancement of molecular circuit design. In order to facilitate the implementation of new transport phenomena…
Gallium nitride (GaN) is a typical wide-bandgap semiconductor with a critical role in a wide range of electronic applications. Ballistic thermal transport at nanoscale hotspots will greatly reduce the performance of a device when its…
We review recent results on electronic and thermal transport in two different quasi one-dimensional systems: Silicon nanowires (SiNW) and atomic gold chains. For SiNW's we compute the ballistic electronic and thermal transport properties on…
Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we…
We study the rectification of a two-dimensional thermal gas in a channel of asymmetric dissipative walls. For an ensemble of smooth Lennard-Jones particles, our numerical simulations reveal a non-monotonic dependence of the flux on the…