Colloquium: Heat flow and thermoelectricity in atomic and molecular junctions

Y Dubi, M Di Ventra - Reviews of Modern Physics, 2011 - APS
Advances in the fabrication and characterization of nanoscale systems now allow for a better
understanding of one of the most basic issues in science and technology: the flow of heat at …

Nonequilibrium Green's function method for quantum thermal transport

JS Wang, BK Agarwalla, H Li, J Thingna - Frontiers of Physics, 2014 - Springer
This review deals with the nonequilibrium Green's function (NEGF) method applied to the
problems of energy transport due to atomic vibrations (phonons), primarily for small junction …

Heat transport in low-dimensional systems

A Dhar - Advances in Physics, 2008 - Taylor & Francis
Recent results on theoretical studies of heat conduction in low-dimensional systems are
presented. These studies are on simple, yet non-trivial, models. Most of these are classical …

Quantum thermal transport in nanostructures

JS Wang, J Wang, JT Lü - The European Physical Journal B, 2008 - Springer
In this colloquia review we discuss methods for thermal transport calculations for
nanojunctions connected to two semi-infinite leads served as heat-baths. Our emphases are …

Length-dependent thermal transport along molecular chains

T Meier, F Menges, P Nirmalraj, H Hölscher, H Riel… - Physical review …, 2014 - APS
We present heat-transport measurements conducted with a vacuum-operated scanning
thermal microscope to study the thermal conductance of monolayers of nine different alkane …

Thermoelectric effects in nanoscale junctions

Y Dubi, M Di Ventra - Nano letters, 2009 - ACS Publications
Despite its intrinsic nonequilibrium origin, thermoelectricity in nanoscale systems is usually
described within a static scattering approach which disregards the dynamical interaction …

Charge transport in molecular junctions: From tunneling to hop** with the probe technique

M Kilgour, D Segal - The Journal of chemical physics, 2015 - pubs.aip.org
We demonstrate that a simple phenomenological approach can be used to simulate
electronic conduction in molecular wires under thermal effects induced by the surrounding …

Semi-classical generalized Langevin equation for equilibrium and nonequilibrium molecular dynamics simulation

JT Lü, BZ Hu, P Hedegård, M Brandbyge - Progress in Surface Science, 2019 - Elsevier
Molecular dynamics (MD) simulation based on Langevin equation has been widely used in
the study of structural, thermal properties of matter in different phases. Normally, the atomic …

Local temperatures out of equilibrium

D Zhang, X Zheng, M Di Ventra - Physics Reports, 2019 - Elsevier
The temperature of a physical system is operationally defined in physics as “that quantity
which is measured by a thermometer” weakly coupled to, and at equilibrium with the system …

Discrete heat equation for a periodic layered system with allowance for the interfacial thermal resistance: General formulation and dispersion analysis

SL Sobolev - Physical Review E, 2024 - APS
Discrete heat equations for the multilayered periodic systems with allowance for the thermal
resistance between the layers and corresponding dispersion relations in ω− k space have …