Related papers: Phonon thermal conductivity by non-local non-equil…
Motivated by recent investigations of transport properties of strongly correlated 1d models and thermal conductivity measurements of quasi 1d magnetic systems we present results for the integrable spin-1/2 $XXZ$ chain. The thermal…
The angle dependence at different temperatures of the longitudinal thermal conductivity $\kappa_{xx}(\theta)$ in the presence of a planar magnetic field is presented. In order to study the influence of the gap symmetry on the thermal…
We calculate the lattice-driven in-plane $(\kappa_{\parallel})$ and out-of-plane $(\kappa_{\perp})$ thermal conductivities of Bi$_2$Se$_3$ bulk, and of films of different thicknesses, using the Boltzmann equation with phonon scattering…
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 calculate the nonequilibrium conductance through a molecule or a quantum dot in which the occupation of the relevant electronic level is coupled with intensity $\lambda$ to a phonon mode, and also to two conducting leads. The system is…
We present here a theoretical method to determine the phononic contribution to the thermal conductance of nanoscale systems in the phase-coherent regime. Our approach makes use of classical molecular dynamics (MD) simulations to calculate…
We reveal that phononic thermal transport in graphene is not immune to grain boundaries (GBs) aligned along the direction of the temperature gradient. Non-equilibrium molecular dynamics simulations uncover a large reduction in the phononic…
Thermal conductivities $\Lambda $ of amorphous carbon thin films are measured in the temperatures range 80--400 K using the $3\omega $ method. Sample films range from soft a-C:H prepared by remote-plasma deposition ($\Lambda = 0.20$ W…
We investigate the thermal conductivity of suspended graphene as a function of the density of defects, ND, introduced in a controllable way. Graphene layers are synthesized using chemical vapor deposition, transferred onto a transmission…
Phonon transport of recently-fabricated $\mathrm{Na_2He}$ at high pressure is investigated from a combination of first-principles calculations and the linearized phonon Boltzmann equation within the single-mode relaxation time approximation…
Photoionization produces supra-thermal electrons, electrons with much more energy than is found in a thermalized gas at electron temperatures characteristic of nebulae. The presence of these high energy electrons may solve the long-standing…
We investigate the thermal conductivity of plumbene using molecular dynamics simulations, overcoming existing limitations by optimizing the parameters of Tersoff and Stillinger-Weber potentials via artificial neural networks. Our findings…
We show that the centroid molecular dynamics (CMD) method provides a realistic way to calculate the thermal diffusivity $a=\lambda/\rho c_{\rm V}$ of a quantum mechanical liquid such as para-hydrogen. Once $a$ has been calculated, the…
The mechanical properties of two-dimensional materials are important for a wide range of applications including composite and van der Waals-materials, flexible electronics and superconductivity. Several aspects are highly debated in the…
This investigation explores the phononic thermal conductivity of nuclear star matter as it undergoes the "topological" transition to the "pasta" regime, and further down to the solid-liquid phase transition. The study was carried out using…
We report the calculation results of specific heat ($c_v$), and thermal conductivity ($\kappa$) by using Einstein, and Debye models about rock salt (NaCl), oxides: Na$_x$CoO$_2$, SrTiO$_3$, and LiNbO$_3$. In calculation, the longitudinal…
We compute the anisotropic in-plane thermal conductivity of suspended single-layer black phosphorous (SLBP) using three molecular dynamics (MD) based methods, including the equilibrium MD method, the nonequilibrium MD (NEMD) method, and the…
We present a formulation of a nonequilibrium Green's function method for thermal current in nanojunction atomic systems with nonlinear interactions. This first-principle approach is applied to the calculation of the thermal conductance in…
We study heat conduction in (n, 0)/(2n, 0) intramolecular junctions by using molecular dynamics method. It is found that the heat conduction is asymmetric, namely, heat transports preferably in one direction. This phenomenon is also called…
We review the Raman shift method as a non-destructive optical tool to investigate the thermal conductivity and demonstrate the possibility to map this quantity with a micrometer resolution by studying thin film and bulk materials for…