相关论文: Thermal conductance through molecular wires
Heat conduction by phonons is a ubiquitous process that incorporates a wide range of physics and plays an essential role in applications ranging from space power generation to LED lighting. Heat conduction has been studied for over two…
Vibrational heat transport in molecular junctions is a central issue in different contemporary research areas like Chemistry, material science, mechanical engineering, thermoelectrics and power generation. Our model system consists of a…
The heat transfer properties of the organic molecular crystal ${\alpha}$-RDX were studied using three phonon-based thermal conductivity models. It was found that the widely used Peierls-Boltzmann model for thermal transport in crystalline…
We demonstrate that a simple phenomenological approach can be used to simulate electronic conduction in molecular wires under thermal effects induced by the surrounding environment. This "Landauer-B\"uttiker's probe technique" can properly…
We present an exact solution for the heat conductance along a harmonic chain connecting two reservoirs at different temperatures. In this model, the end points correspond to Brownian particles with different damping coefficients. Such…
An expression for the transmission matrix based conductance is provided for the propagation of scalar waves in certain bifurcated discrete waveguides using the paradigm of a three-terminal Landauer-Buttiker junction. It is found that the…
The paper suggests a resolution for recent controversy over convergence of heat conductivity in one-dimensional chains with asymmetric nearest-neighbor potential. We conjecture that the convergence is promoted not by the mere asymmetry of…
Using harmonic and anharmonic force constants extracted from density-functional calculations within a supercell, we have developed a relatively simple but general method to compute thermodynamic and thermal properties of any crystal. First,…
The Anderson localization of thermal phonons has been shown only in few nano-structures with strong random disorder by the exponential decay of transmission to zero and a thermal conductivity maximum when increasing system length. In this…
Recent electronic transport experiments using metallic contacts attached to proteins identified some 'stylized facts' which contradict conventional wisdom that increasing either the spatial distance between the electrodes or the temperature…
Heat transport in low-dimensional systems has attracted enormous attention from both theoretical and experimental aspects due to its significance to the perception of fundamental energy transport theory and its potential applications in the…
This work relaxes the assumption of point particles prevalent in the study of thermal transport characteristics in $\Phi^4$ chains. The particles of the modified chain, henceforth termed as the $\Phi^{4C}$ chain, can collide with each…
In this paper, we present a Hamiltonian and thermodynamic theory of heat transport on various levels of description. Transport of heat is formulated within kinetic theory of polarized phonons, kinetic theory of unpolarized phonons,…
The effect of a thermal environment on electron (or hole) transfer through molecular bridges and on the electron conduction properties of such bridges is studied. Our steady state formalism based on an extension of the Redfield theory (D.…
We study the interplay of intrinsic-electronic and environmental factors on long-range charge transport across molecular chains with up to $N\sim 80$ monomers. We describe the molecular electronic structure of the chain with a tight-binding…
We present analytical model and molecular dynamics simulations of phonon heat transport in nanowires and nanoribbons with anharmonic lattices and dynamically rough surfaces and edges. In agreement with recent experiments on heat transport…
We study heat conduction in a one-dimensional {finite}, unpinned chain of atoms perturbed by stochastic momentum exchange and coupled to Langevin heat baths at {possibly} distinct temperatures placed at the endpoints of the chain. While…
We investigate heat conduction and energy relaxation in an InAs semiconductor nanowire using a hybrid semiconductor-superconductor architecture. Local electronic temperatures are measured with an in-situ grown quantum dot thermometer, while…
Classical molecular dynamics (MD) has been shown to be effective in simulating heat conduction in certain molecular junctions since it inherently takes into account some essential methodological components which are lacking with quantum…
Based on the Landauer formalism, we demonstrate that the thermal conductance due to the propagation of surface phonon-polaritons along a polar nanowire is independent of the material characteristics and is given by Pi^2kB^2T/3h. The giant…