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We present an \emph{ab-initio} study that identifies the main electron-phonon scattering channels in $n$-type PbTe. We develop an electronic transport model based on the Boltzmann transport equation within the transport relaxation time…

Mesoscale and Nanoscale Physics · Physics 2018-11-14 Jiang Cao , Jose D. Querales-Flores , Aoife R. Murphy , Stephen Fahy , Ivana Savić

First-principles calculations of thermal transport in homogeneous materials have reached remarkable predicting power. Modeling deterministically phonon transport in nanostructures, however, poses novel challenges; notably, it entails…

Materials Science · Physics 2021-06-08 Giuseppe Romano

Advances in nanotechnology have facilitated the exploration of submicron thermal transport. At this scale, Fourier's law is no longer applicable, and the governing equation for thermal transport is the phonon Boltzmann transport equation…

Mesoscale and Nanoscale Physics · Physics 2023-06-27 Yue Hu , Ru Jia , Jiaxuan Xu , Yufei Sheng , Minhua Wen , James Lin , Yongxing Shen , Hua Bao

Understanding ballistic phonon transport effects in transient thermoreflectance experiments and explaining the observed deviations from classical theory remains a challenge. Diffusion equations are simple and computationally efficient but…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 Jesse Maassen , Mark Lundstrom

Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE)…

Materials Science · Physics 2015-06-17 Alireza Faghaninia , Joel W. Ager , Cynthia S. Lo

We introduce a methodology for density-based topology optimization of non-Fourier thermal transport in nanostructures, based upon adjoint-based sensitivity analysis of the phonon Boltzmann transport equation (BTE) and a novel material…

Mesoscale and Nanoscale Physics · Physics 2022-10-10 Giuseppe Romano , Steven G. Johnson

We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…

Mesoscale and Nanoscale Physics · Physics 2014-10-20 Giuseppe Romano , Jeffrey C. Grossman

The phonon Boltzmann transport equation (BTE) is widely utilized to study non-diffusive thermal transport. We find a solution of the BTE in the thin film transient thermal grating (TTG) experimental geometry by using a recently developed…

Mesoscale and Nanoscale Physics · Physics 2016-07-15 Vazrik Chiloyan , Lingping Zeng , Samuel Huberman , Alexei A. Maznev , Keith A. Nelson , Gang Chen

The Boltzmann transport equation is one of the most relevant framework to study the heat transport at the nanoscale, beyond the diffusive regime and up to the micrometer-scale. In the general case of three-dimensional devices, the particle…

Mesoscale and Nanoscale Physics · Physics 2018-12-05 B. Davier , J. Larroque , P. Dollfus , L. Chaput , S. Volz , D. Lacroix , J. Saint-Martin

Thermal management is extremely important for designing high-performance devices. The lattice thermal conductivity of materials is strongly dependent on the structural defects at different length scales, particularly point defects like…

Materials Science · Physics 2021-02-24 Yandong Sun , Yanguang Zhou , Ming Hu , G. Jeffrey Snyder , Ben Xu , Wei Liu

We first propose fundamental solutions of wave propagation in one-dimensional dispersive chain subject to a localized initial perturbation in the displacement. Analytical solutions are obtained for both second order nonlinear dispersive…

Statistical Mechanics · Physics 2018-08-31 Zhijie Xu

We report finite-volume simulations of the phonon Boltzmann transport equation (BTE) for heat conduction across the heterogeneous interfaces in SiGe superlattices. The diffuse mismatch model incorporating phonon dispersion and polarization…

Mesoscale and Nanoscale Physics · Physics 2010-05-17 Dhruv Singh , Jayathi Y. Murthy , Timothy S. Fisher

In this work, a lattice Boltzmann scheme is developed for numerical solution of the phonon Boltzmann equation under Callaway's dual relaxation model in the hydrodynamic limit. Through a Chapman-Enskog expansion to the lattice Boltzmann…

Computational Physics · Physics 2020-10-06 Yangyu Guo , Moran Wang

Predicting nanoscale thermal transport in dielectrics requires models, such as the Boltzmann transport equation (BTE), that account for phonon boundary scattering in structures with complex geometries. Although the BTE has been validated…

Materials Science · Physics 2023-08-03 S. Aria Hosseini , Alex Greaney , Giuseppe Romano

The major obstacle in the design of materials with low lattice thermal conductivity is the difficulty in efficiently scattering phonons across the entire frequency spectrum. Using first principles calculations, we show that driving PbTe…

Materials Science · Physics 2019-03-26 Ronan M. Murphy , Éamonn D. Murray , Stephen Fahy , Ivana Savić

In this paper, we present a mode space method for atomistic non-equilibrium Green's function simulations of armchair graphene nanoribbon FETs that includes electron-phonon scattering. With reference to both conventional and tunnel FET…

Mesoscale and Nanoscale Physics · Physics 2013-04-12 Roberto Grassi , Antonio Gnudi , Ilaria Imperiale , Elena Gnani , Susanna Reggiani , Giorgio Baccarani

The nonequilibrium total dielectric function lends itself to a simple and general method for calculating the inelastic collision term in the electron Boltzmann equation for scattering from a coupled mode system. Useful applications include…

Condensed Matter · Physics 2007-05-23 B. A. Sanborn

We report lattice dynamical measurements, made using neutron inelastic scattering methods, of the relaxor perovskite PbMg1/3Nb2/3O3 (PMN) at momentum transfers near the edge of the Brillouin zone. Unusual"columns" of phonon scattering that…

Materials Science · Physics 2015-05-13 I. P. Swainson , C. Stock , P. M. Gehring , Guangyong Xu , K. Hirota , Y. Qiu , H. Luo , X. Zhao , J. -F. Li , D. Viehland

We revisit the recent work from Beardo et al. \cite{beardo2021observation} wherein the observation of second sound in germanium is claimed. We review the requirements imposed on the collision operator (or equivalently, the full scattering…

Mesoscale and Nanoscale Physics · Physics 2023-06-06 Samuel Huberman , Chuang Zhang , Jamal Abou Haibeh

We examine the validity of the widely used T-matrix approximation for treating phonon-disorder scattering by implementing an unfolding algorithm that allows simulation of disorder up to tens of millions of atoms. The T-matrix approximation…

Materials Science · Physics 2020-10-06 S. Thébaud , C. A. Polanco , L. Lindsay , T. Berlijn