相关论文: Full-Scattering-Matrix Deterministic Phonon Boltzm…
A primary challenge in developing synthetic spatial hearing systems, particularly underwater, is accurately modeling sound scattering. Biological organisms achieve 3D spatial hearing by exploiting sound scattering off their bodies to…
Electrical transport in semiconductor superlattices is studied within a fully self-consistent quantum transport model based on nonequilibrium Green functions, including phonon and impurity scattering. We compute both the drift…
The microscale thermal transport properties of $\alpha$RDX are believed to be major factors in the initiation process. In this study we present a thorough examination of phonon properties which dominate energy storage and transport in…
Deviations from diffusive heat transport in high thermal conductivity crystalline insulators are generally understood within the framework of the phonon Boltzmann Transport Equation. However, for low thermal conductivity materials with…
The predictive modeling of lattice thermal conductivity is of fundamental importance for the understanding and design of materials for a wide range of applications. Two major approaches, namely molecular dynamics (MD) simulations and…
An easy to implement and powerful method for the solution of 3D scattering problems that can be well described by Helmholtz equation is presented. The matrix algebra used provides excellent stability versus the number of junctions as well…
The first order standard perturbation theory combined with ab initio projector augmented wave operator challenges the realization of the standard Sternheimer equation with linear computational efficiency. This efficiency motivates us to…
Nanoconfinement induces many intriguing non-Fourier heat conduction phenomena that have been extensively studied in recent years, such as the nonlinear temperature profile inside the devices, the temperature jumps near the contacts, and the…
Many crystals, such as lanthanum zirconate (La2Zr2O7), exhibit a flat temperature dependence of thermal conductivity at elevated temperatures. This phenomenon has recently been attributed to the inter-band phonon tunneling (or diffuson)…
elphbolt is a modern Fortran (2018 standard) code for efficiently solving the coupled electron-phonon Boltzmann transport equations from first principles. Using results from density functional and density functional perturbation theory as…
Based on the phonon Boltzmann transport equation under the relaxation time approximation, analytical expressions for the temperature profiles of both steady state and modulated heat conduction inside a thin film deposited on a substrate are…
We present the detailed treatment of dissipative quantum transport in carbon nanotube field-effect transistors (CNTFETs) using the non-equilibrium Green's function formalism. The effect of phonon scattering on the device characteristics of…
We have adapted R-matrix theory to calculate phonon scattering across systems of molecular to mesoscopic scale. The key novelty of this work is that the only required information about the scattering region are its normal modes, which are…
Interest in high entropy alloy thermoelectric materials is predicated on achieving ultralow lattice thermal conductivity $\kappa\sub{L}$ through large compositional disorder. However, here we show that for a given mechanism, such as mass…
Astrophysical observations originate from matter that interacts with radiation or transported particles. We develop a pragmatic approximation in order to enable multi-dimensional simulations with basic spectral radiative transfer when the…
Phonon boundary scattering is typically treated using the Fuchs-Sondheimer theory, which assumes that phonons are thermalized to the local temperature at the boundary. However, whether such a thermalization process actually occurs and its…
Resonance Raman scattering, a very effective and sensitive technique for atomically thin semiconducting transition metal dichalcogenide, can be used to observe the phonons from the entire Brillouin zone. In addition to the significance of…
While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity of the approach is seldom tested for high-temperature…
In this paper analysis is performed on a computational method for thermal radiative transfer (TRT) problems based on the multilevel quasidiffusion (variable Eddington factor) method with the method of long characteristics (ray tracing) for…
The long-wavelength behavior of vibrational modes plays a central role in carrier transport, phonon-assisted optical properties, superconductivity, and thermomechanical and thermoelectric properties of materials. Here, we present general…