Related papers: Phonon thermal conductivity by non-local non-equil…
Phonon size effects induce ballistic transport in nanomaterials, challenging Fourier's law. Nondiffusive heat transport is captured by the Peierls-Boltzmann transport equation (BTE), commonly solved under the relaxation time approximation…
We study thermal transport through Pt nanowires that bridge planar contacts as a function of wire length and vibrational frequency of the contacts. When phonons in the contacts have lower average frequencies than those in the wires thermal…
The effect of electron-phonon (e-ph) coupling on thermal transport across metal-nonmetal interfaces is yet to be completely understood. In this paper, we use a series of molecular dynamics (MD) simulations with e-ph coupling effect included…
In conventional metals, thermal transport is governed by electrons, with phonon contributions often considered negligible. Here, through rigorous first-principles calculations, we uncover a phonon-dominated thermal transport regime in the…
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…
In low-dimensional systems, the combination of reduced dimensionality, strong interactions, and topology has led to a growing number of many-body quantum phenomena. Thermal transport, which is sensitive to all energy-carrying degrees of…
We use reverse non-equilibrium molecular dynamics (RNEMD) simulations to determine the thermal conductivity in $\alpha$-RDX in the <100>, <010>, and <001> crystallographic directions. Simulations are carried out with the Smith-Bharadwaj…
Low temperature thermal conductivity, $\kappa$, of optimally-doped Bi2212 was studied before and after the introduction of point defects by electron irradiation. The amplitude of the linear component of $\kappa$ remains unchanged,…
Recent theoretical and experimental research suggests that $\theta$-TaN is a semimetal with high thermal conductivity ($\kappa$), primarily due to the contribution of phonons ($\kappa_\texttt{ph}$). By using first-principles calculations,…
The thermal conductivities ($\kappa$) of bulk and thin-film $\alpha$-Al$_2$O$_3$ are calculated from first principles using both the local density approximation (LDA), and the generalized gradient approximation (GGA) to exchange and…
We investigate the heat conduction in a quasi 1-D gas model with various degree of chaos. Our calculations indicate that the heat conductivity $\kappa$ is independent of system size when the chaos of the channel is strong enough. The…
In this study, we derive the heat flux formula for the Allegro model, one of machine-learning interatomic potentials using the equivariant deep neural network, to calculate lattice thermal conductivity using the homogeneous non-equilibrium…
Evaluating the linear response of a driven system to a change in environment temperature(s) is essential for understanding thermal properties of nonequilibrium systems. The system is kept in weak contact with possibly different fast…
The thermal conductivity $\kappa$ of a material is an important parameter in many different applications. Optimization strategies of $\kappa$ often require insight into the dominant phonon scattering processes of the material under study.…
Transient heat dissipation in close-packed quasi-2D nanoline and 3D nanocuboid hotspot systems is studied based on phonon Boltzmann transport equation. It is found that, counter-intuitively, the heat dissipation efficiency is not a…
Nanoporous materials are a promising platform for thermoelectrics in that they offer high thermal conductivity tunability while preserving good electrical properties, a crucial requirement for high- effciency thermal energy conversion.…
The origin of phonon thermal Hall Effect (THE) observed in a variety of insulators is yet to be identified. Here, we report on the observation of a thermal Hall conductivity in a non-magnetic elemental insulator, with an amplitude exceeding…
We adapt existing phonon heat transport methods to compute the phononic thermal conductance of metallic atomic contacts during a stretching process. Nonequilibrium molecular dynamics (NEMD) simulations are used to generate atomic…
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…
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…