相关论文: Full-Scattering-Matrix Deterministic Phonon Boltzm…
Using a full dispersion description of phonons, the thermal conductivities of bulk Si and Bi2Te3 are evaluated using a Landauer approach and related to the conventional approach based on the Boltzmann transport equation. A procedure to…
Using the Boltzmann transport equation (BTE), we study the evolution of nonequilibrium carrier distributions in simple ($sp$) metals, assumed to have been instantaneously excited by an ultrafast laser pulse with photon energy $h \nu$. The…
Because of high surface-to-volume ratio, the most prominent size effect limiting thermal transport originates from phonon-surface scattering in nanostructures. Herein we propose the mechanism of phonon scattering by the bond strength…
This paper introduces JAX-BTE, a GPU-accelerated, differentiable solver for the phonon Boltzmann Transport Equation (BTE) based on differentiable programming. JAX-BTE enables accurate, efficient and differentiable multiscale thermal…
Linear theory for phonon scattering by discrete breathers in the discrete nonlinear Schroedinger equation using the transfer matrix approach is presented. Transmission and reflection coefficients are obtained as a function of the wave…
Tensor network techniques, known for their low-rank approximation ability that breaks the curse of dimensionality, are emerging as a foundation of new mathematical methods for ultra-fast numerical solutions of high-dimensional Partial…
We combine machine learning (ML)-based neuroevolution potentials (NEP) with anharmonic lattice dynamics and the Boltzmann transport equation (ALD-BTE) to achieve a quantitative and mode-resolved description of thermal transport in…
A Full Band Monte Carlo simulator has been developed to consider phonon transmission across interfaces that are perpendicular to the heat flux. This solver of the Boltzmann transport equation which does not require any assumption on the…
Semiconductor alloys exhibit a strong dependence of effective thermal conductivity on measurement frequency. So far this quasi-ballistic behaviour has only been interpreted phenomenologically, providing limited insight into the underlying…
The phonon renormalization across the semiconductor-to-metal crossover in FeSi is investigated by inelastic neutron scattering combined with \textit{ab-initio} lattice dynamical calculations. A significant part of reciprocal space with a…
We present a numerical approach to the solution of elastic phonon scattering problems based on a frequency domain decomposition of the atomistic equations of motion and the use of perfectly matched layer or PML boundaries. Unlike MD…
X-ray scatter has been a serious concern in computed tomography (CT), leading to image artifacts and distortion of CT values. The linear Boltzmann transport equation (LBTE) is recognized as a fast and accurate approach for scatter…
We present a method for reconstructing the phonon relaxation time distribution $\tau_{\omega}= \tau (\omega)$ (including polarization) in a material from thermal spectroscopy data. The distinguishing feature of this approach is that it does…
Over the last two decades a plethora of new thermoelectric materials, their alloys, and their nanostructures were synthesized. The ZT figure of merit, which quantifies the thermoelectric efficiency of these materials increased from values…
In this work, the heat vortexes in two-dimensional porous or ribbon structures are investigated based on the phonon Boltzmann transport equation (BTE) under the Callaway model. First, the separate thermal effects of normal (N) scattering…
The anharmonic lattice dynamics of rock-salt thermoelectric compounds SnTe and PbTe are investigated with inelastic neutron scattering (INS) and first-principles calculations. The experiments show that, surprisingly, although SnTe is closer…
Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors and energy conversion devices. Computational modeling can accurately predict materials properties but, in order to…
In this article, we introduce a new viewpoint on electromagnetic scattering. Tailoring spectral electromagnetic response underpins important applications ranging from sensing to energy conversion, and is flourishing with new ideas from…
The direct simulation of the dynamics of second sound in graphitic materials remains a challenging task due to lack of methodology for solving the phonon Boltzmann equation in such a stiff hydrodynamic regime. In this work, we aim to tackle…
A scattering problem (or more precisely, a transmission-reflection problem) of linearized excitations in the presence of a dark soliton is considered in a one-dimensional nonlinear Schr\"odinger system with a general nonlinearity: $…