Related papers: Heat transport in superionic materials via machine…
We study heat conduction and momentum transport in the context of stochastic fluid dynamics. We consider a fluid described by model H in the classification of Hohenberg and Halperin. We study both non-critical and critical fluids, and we…
The general theory of simple transport processes between quantum mechanical reservoirs is reviewed and extended. We focus on thermoelectric phenomena, involving exchange of energy and particles. Entropy production and Onsager relations are…
In one and two dimensions, transport coefficients may diverge in the thermodynamic limit due to long--time correlation of the corresponding currents. The effective asymptotic behaviour is addressed with reference to the problem of heat…
Interest in high entropy alloy thermoelectric materials is predicated on achieving ultralow lattice thermal conductivity $\kappa\sub{L}$ through large compositional disorder. However, here we show that for a given mechanism, such as mass…
The field dependence of low-temperature thermal conductivity $\kappa(H)$ observed on cuprates is explained by calculating $\kappa(H)$ microscopically. The heat current carried by low-lying quasiparticles around a vortex core decreases with…
Heat conduction in a random packing of hard spheres is studied by nonequilibrium molecular dynamics simulation. We find a hard-sphere random packing shows higher thermal conductivity than a crystalline packing with same packing fraction.…
We study the Green-Kubo (GK) formula $\kappa (\varepsilon, \xi)$ for the heat conductivity of an infinite chain of $d$-dimensional finite systems (cells) coupled by a smooth nearest neighbour potential $\varepsilon V$. The uncoupled systems…
Atomistic simulations of heat transport in complex materials are costly and hard to converge. This has led to the development of several noise-reduction techniques applicable to equilibrium molecular-dynamics (MD) simulations. We analyze…
Whether or not anomalies in the thermal conductivity in insulating cuprates can be attributed to antiferromagnetic order and magnons in a 2D Mott insulator remains an intriguing open question. To shed light on this issue, we investigate the…
A grand challenge in designing polymeric materials is to tune their properties by macromolecular engineering. In this context, one of the drawbacks that often limits broader applications under high temperature conditions is their poor…
Equilibrium molecular dynamics simulations are used to calculate the thermal conductivity of the one component plasma (OCP) via the Green-Kubo formalism over a broad range of Coulomb coupling strength, $0.1\le\Gamma\le180$. These…
Machine-learned interatomic potentials (MLIPs) show promise in accurately describing the physical properties of materials, but there is a need for a higher throughput method of validation. Here, we demonstrate using that MLIPs and molecular…
Understanding mechanisms of ion transport in bulk materials is central to designing next-generation ion conductors for energy storage devices, yet studies employing all-atom molecular dynamics (MD) have largely been limited to reporting…
Accurate evaluation of the thermal conductivity of a material can be a challenging task from both experimental and theoretical points of view. In particular for the nanostructured materials, the experimental measurement of thermal…
We consider a stochastic process of heat conduction where energy is redistributed along a chain between nearest neighbor sites via an improper beta distribution. Similar to the well-known Kipnis-Marchioro-Presutti (KMP) model, the finite…
Thermal conductivity of hadron matter is studied using a microscopic transport model, which will be used to simulate ultra-relativistic heavy ion collisions at different energy densities, namely the Ultra-relativistic Quantum Molecular…
The thermal conductivity $\kappa$ of underdoped \Y was measured in the $T \to 0$ limit as a function of hole concentration $p$ across the superconducting critical point at $p_{SC}$ = 5.0%. ``Time doping'' was used to resolve the evolution…
We study the superconducting transition temperature and the electronic properties of the metallic phase of $\kappa$-type (BEDT-TTF)$_2$X which shows unconventional properties in experiments, on the basis of the third order perturbation…
Thermal convection stands out as an exceptionally efficient thermal transport mechanism, distinctly separate from conduction and radiation. Yet, the inherently elusive nature of fluid motion poses challenges in accurately controlling…
Graphene oxide (GO) exhibits rich chemical heterogeneity that strongly influences its structural, thermal, and mechanical properties, yet quantitatively linking reduction chemistry to heat transport remains challenging. In this work, we…