Related papers: Heat transport in superionic materials via machine…
We have computed the charge and heat transport coefficients of hot QCD matter by solving the relativistic Boltzmann transport equation using the BGK model approximation with a modified collision integral in the weak magnetic field regime.…
We use a general diagrammatic formalism based on a local conductivity approach to compute electronic transport in continuous media with long-range disorder, in the absence of quantum interference effects. The method allows us then to…
Different molecular dynamics methods like the direct method, the Green-Kubo (GK) method and homogeneous non-equilibrium molecular dynamics (HNEMD) method have been widely used to calculate lattice thermal conductivity ($\kappa_\ell$). While…
We present experimental results for the thermal conductivity $\kappa$ of the pseudo 2-leg ladder material $\rm CaCu_2O_3$. The strong buckling of the ladder rungs renders this material a good approximation to a $S=1/2$ Heisenberg-chain.…
We derive rigorous quantum mechanical bounds for the heat current through a nanojunction connecting two thermal baths at different temperatures. Based on exact sum rules, these bounds compliment the well-known quantum of thermal conductance…
This work presents a general thermodynamic approach to describe particle diffusion on a lattice, a model used to study transport processes in solids and on surfaces. By treating each lattice site as an open thermodynamic system, the effects…
Interfaces play a crucial role in energy transport at the nanoscale. However, direct experimental observations of interfacial thermal conductance across molecular junctions have remained challenging due to the high spatiotemporal resolution…
The transport of excess protons and hydroxide ions in water underlies numerous important chemical and biological processes. Accurately simulating the associated transport mechanisms ideally requires utilizing ab initio molecular dynamics…
We study the nonequilibrium energy transport across a topological insulator/superconductor junction, by deriving an interfacial heat current formula through scattering wave approach. Several anomalous thermal properties are uncovered, such…
By using the generalized Boltzmann equation of transport and the first-order approximation of Chapman-Enskog expansion on the kappa-distribution function, we study the thermal conductivity and Dufour effects in the weakly ionized and…
In the organic superconducting \kappa-(BEDT-TTF) compounds, various transport phenomena exhibit striking non-Fermi liquid behaviors, which should be the important clues to understanding the electronic state of this system. Especially, the…
We investigate thermally-driven transport of heat and charge in a superconducting single-electron transistor by means of a real-time diagrammatic transport theory. Our theoretical approach allows us to account for strong Coulomb…
The closely related Green-Kubo and Helfand moment approaches are applied to obtain the thermal conductivity tensor of $\beta$-1,3,5,7-tetranitro-1,3,5,7-tetrazoctane ($\beta$-HMX) at $T=300$ K and $P=1$ atm from equilibrium molecular…
Layered systems shows anisotropic transport properties. The interlayer conductivity show a general temperature dependence for a wide class of materials. This can be understood if conduction occurs in two different channels activated at…
Heat transport in the cuprate superconductors YBa$_2$Cu$_3$O$_{y}$ and La$_{2-x}$Sr$_x$CuO$_4$ was measured at low temperatures as a function of doping. A residual linear term kappa_{0}/T is observed throughout the superconducting region…
We apply the Green-Kubo (G-K) approach to obtain the thermal conductivity tensor of $\beta$-1,3,5,7-tetranitro-1,3,5,7-tetrazocane ($\beta$-HMX) as a function of pressure and temperature from equilibrium molecular dynamics (MD) simulations.…
We calculate the charge and heat current associate with electrons, generated by a temperature gradient and chemical potential difference between two ends of a tubular nanowire of 30 nm radius in the presence of an external magnetic field…
The realization of single-molecule thermal conductance measurements has driven the need for theoretical tools to describe conduction processes that occur over atomistic length scales. In macroscale systems, the principle that is typically…
Using Green's function equation of motion within Lacroix decoupling scheme, we examine the thermoelectric transport features of a strongly interacting quantum dot coupled between metallic leads. We demonstrate that a qualitative description…
Molecular dynamics simulations play an important role in studying heat transport in complex materials. The lattice thermal conductivity can be computed either using the Green-Kubo formula in equilibrium MD (EMD) simulations or using…