Related papers: Heat transport in superionic materials via machine…
Thermal transport at short length and time scales inherently constitutes a nonlocal relation between heat flux and temperature gradient, but this is rarely addressed explicitly. Here, we present a formalism that enables detailed…
We have studied the thermal conductivity $\kappa$ on single crystalline samples of the antiferromagnetic monolayer cuprates R$_2$CuO$_4$ with R = La, Pr, Nd, Sm, Eu, and Gd. For a heat current within the CuO$_2$ planes, i.e. for…
We investigate thermal transport in square ice, a two-dimensional analogue of spin ice, exploring the role played by emergent magnetic monopoles in transporting energy. Using kinetic Monte Carlo simulations based on energy preserving…
The role of energy exchange between a quantum system and its environment is investigated from the perspective of the Onsager conductance matrix. We consider the thermoelectric linear transport of an interacting quantum dot coupled to two…
Molecular dynamics (MD) simulations play an important role in understanding and engineering heat transport properties of complex materials. An essential requirement for reliably predicting heat transport properties is the use of accurate…
Motivated by the classical picture of heat flow we construct a stationary temperature gradient in a relativistic microscopic transport model. Employing the relativistic Navier-Stokes ansatz we extract the heat conductivity {\kappa} for a…
Machine-learned potentials (MLPs) have been extensively used to obtain the lattice thermal conductivity via atomistic simulations. However, the impact of force errors in various MLPs on thermal transport has not been widely recognized and…
Non-equilibrium (NE) molecular dynamics (MD), or NEMD, gives a "direct" simulation of thermal conductivity kappa. Heat H(x) is added and subtracted in equal amounts at different places x. After steady state is achieved, the temperature T(x)…
The first study of thermal conductivity, $\kappa$, in a quasi-two-dimensional organic superconductor of the $\kappa$-(BEDT-TTF)$_2$X family reveals features analogous to those already observed in the cuprates. The onset of superconductivity…
The thermal conductivity of classical multi-component fluids is seemingly affected by the intrinsic arbitrariness in the definition of the atomic energies and it is ill-conditioned numerically, when evaluated from the Green-Kubo theory of…
We report the discovery of temperature-invariant ultralow thermal conductivity ($\kappa$) in monolayer $\beta'$-In$_2$Se$_3$, a two-dimensional ferroelectric crystal with in-plane polarization. Using a combination of generalized Wigner…
We propose an efficient scheme, which combines density functional theory (DFT) with deep potentials (DP), to systematically study the convergence issues of the computed electronic thermal conductivity of warm dense Al (2.7 g/cm$^3$,…
MgAgSb, a promising thermoelectric material, undergoes reversible phase transitions that drastically alter its thermal transport behavior. Using first-principles calculations, we systematically investigate the lattice thermal conductivity…
We measure the thermal conductivity ($\kappa$) of individual InAs nanowires (NWs), and find that it is 3 orders of magnitude smaller than the bulk value in the temperature range of 10 to 50 K. We argue that the low $\kappa$ arises from the…
The lattice thermal conductivity ($\kappa_{\ell}$) is a key materials property in power electronics, thermal barriers, and thermoelectric devices. Identifying a wide pool of compounds with low $\kappa_{\ell}$ is particularly important in…
We show that for one dimensional systems with momentum conservation, the thermal conductivity $\kappa$ generically diverges with system size as $L^{1/3}.$
The ab-plane thermal conductivity $\kappa$ of single-crystalline hexagonal MgB_2 has been measured as a function of magnetic field H with orientations both parallel and perpendicular to the c-axis and at temperatures between 0.5 and 300 K.…
Equilibrium molecular dynamics simulations, in combination with the Green-Kubo (GK) method, have been extensively used to compute the thermal conductivity of liquids. However, the GK method relies on an ambiguous definition of the…
Tuning the heat flow is fundamentally important for the design of advanced functional materials. Here, polymers are of particular importance because they provide different pathways for the energy transfer. More specifically, the heat flow…
We investigate the phonon thermal conductivity $\kappa_{\mathrm{ph}}$ of doped $\rm La_2CuO_4$ based on out-of-plane thermal conductivity measurements. When room temperature is approached the temperature dependence of $\kappa_{\mathrm{ph}}$…