Related papers: Phonon thermal conductivity by non-local non-equil…
We report measurements of the thermal conductivity $\kappa$ on single crystalline CeRu$_4$Sn$_6$ in the temperature range between 80mK and 80K, along the main crystallographic directions. $\kappa$ is phonon-dominated in the whole…
Understanding and controlling heat transport in molecular junctions would provide new routes to design nanoscale coupled electronic and phononic devices. Using first principles full quantum calculations, we tune thermal conductance of a…
Hydrodynamic heat flow, where out-of-equilibrium phonons collectively drift in response to an applied temperature differential, has attracted renewed interest following its experimental observation in graphite at temperatures as high as 300…
Owing to their long phonon mean free paths (MFPs) and high thermal conductivity, carbon nanotubes (CNTs) are ideal candidates for, e.g., removing heat from electronic devices. It is unknown, however, how the intrinsic phonon MFPs depend on…
We propose a first-principles model of minimum lattice thermal conductivity ($\kappa_{\rm L}^{\rm min}$) based on a unified theoretical treatment of thermal transport in crystals and glasses. We apply this model to thousands of inorganic…
The calculation of thermal conductivity in insulating solids at temperatures below the Debye temperature is problematic, due to the breakdown of classical and semi-classical approaches. In this work, we present a fully quantum methodology…
Using molecular dynamics simulations, we study supercritical fluids near the gas-liquid critical point under heat flow in two dimensions. We calculate the steady-state temperature and density profiles. The resultant thermal conductivity…
Considering a range of candidate quantum phases of matter, half-integer thermal conductance ($\kappa_{\text{th}}$) is believed to be an unambiguous evidence of non-Abelian states. It has been long known that such half-integer values arise…
We report a theoretical analysis of the phonon thermal conductance, \kappa (T), for single wall carbon nanotubes (SWCN). In a range of low temperatues up to 100K, \kappa (T) of perfect SWCN is found to increase with temperature,…
We study the nonlinear interfacial thermal transport across atomic junctions by the quantum self-consistent mean field (QSCMF) theory based on nonequilibrium Green's function approach; the QSCMF theory we propose is very precise and matches…
We present a study of thermal conductivity, $\kappa$, in undoped and doped strontium titanate in a wide temperature range (2-400 K) and detecting different regimes of heat flow. In undoped SrTiO$_{3}$, $\kappa$ evolves faster than cubic…
We investigated the longitudinal thermal conductivity $\kappa_{xx}$ and thermal hall conductivity $\kappa_{xy}$ in La$_2$CuO$_4$ at temperatures $T$ between 2 and 20 K in magnetic fields $H$ up to 10 T. Within the temperature and field…
In an attempt to understand the role of the strong radial dependence of thermal diffusivity on the properties of convection in sun-like stars, we mimic that effect in non-Oberbeck-Boussinesq (NOB) convection in a horizontally-extended…
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.…
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…
Numerical calculations of lattice thermal conductivity are reported for the binary alloys NiPd and NiPt. The present work is a continuation of an earlier paper by us [PRB, 72, 214207 (2005)]which had developed a theoretical framework for…
Silicon carbide (SiC) is a wide band gap semiconductor with a variety of industrial applications. Among its many useful properties is its high thermal conductivity, which makes it advantageous for thermal management applications. In this…
In a previous paper [Physical Review B \textbf{103}, 035417 (2021)], we showed that the equilibrium molecular dynamics (EMD) method can be used to compute the apparent thermal conductivity of finite systems. It has been shown that the…
Two-dimensional materials have unusual phonon structures due to the presence of flexural (out-of-plane) modes. Although molecular dynamics simulations have been extensively used to study heat transport in such materials, conventional…
The investigation of thermal properties of recently emerged two-dimensional (2D) materials is a necessary step towards fulfilling their potential applications in nano-electronics devices. In this study, the thermal conductivity of novel…