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Although the Boltzmann transport equation (BTE) has been exploited to investigate non-diffusive phonon transport for decades, due to the challenges of solving this integro-differential equation, most standard techniques for thermal…

Materials Science · Physics 2024-08-13 Tao Li , Bo Jiang , Zhen Chen

Controlling heat flow at the nanoscales is pivotal to several applications, including thermal energy harvesting and heat management. However, engineering nanostructures is challenging because phonon-boundary interaction, not contemplated by…

Materials Science · Physics 2021-06-08 Giuseppe Romano

New method to simulate heat transport in multiphase lattice Boltzmann (LB) method is proposed. The energy transport equation needs to be solved when phase boundaries are present. Internal energy is represented by an additional set of…

Fluid Dynamics · Physics 2018-08-29 Alexander Kupershtokh , Dmitry Medvedev , Igor Gribanov

In this paper we present a multilevel projection-based iterative scheme for solving thermal radiative transfer problems that performs iteration cycles on the high-order Boltzmann transport equation (BTE) and low-order moment equations.…

Numerical Analysis · Mathematics 2026-03-18 Joseph M. Coale , Dmitriy Y. Anistratov

In crystals, macroscopic technological properties such as thermal conductivity originate from the microscopic drift and scattering of phonons, commonly described by the Boltzmann Transport Equation (BTE). Despite its widespread use, the…

Materials Science · Physics 2026-03-18 Enrico Di Lucente , Nicola Marzari , Michele Simoncelli

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…

Materials Science · Physics 2015-02-13 Bjorn Vermeersch , Jesus Carrete , Natalio Mingo , Ali Shakouri

We introduce a new discrete-ordinate scheme for solving the general relativistic Boltzmann transport equation in the context of core-collapse supernovae. Our algorithm avoids the need to spell out the complicated advection terms in energy…

High Energy Astrophysical Phenomena · Physics 2020-06-29 Conrad Chan , Bernhard Mueller

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…

Mesoscale and Nanoscale Physics · Physics 2020-03-10 Giuseppe Romano

The lattice thermal conductivity (LTC) of ZrSe$_2$, a typical layered transition metal disulfide, has been calculated using a hybrid approach that combines force field molecular dynamics (MD) simulation and Boltzmann transport equation…

Materials Science · Physics 2025-09-10 Yong Lu , Fawei Zheng

Ultrafast thermal transport in low-dimensional materials challenges traditional diffusive models due to reduced scattering, strong electron-phonon coupling, and pronounced non-equilibrium effects. To address these complexities, we extend…

Mesoscale and Nanoscale Physics · Physics 2025-12-01 Houssem Rezgui , Chuang Zhang , Clivia Sotomayor-Torres

We study heat transport in semiconductor nanostructures by solving the Boltzmann Transport Equation (BTE) by means of the Discrete Ordinate Method (DOM). Relaxation time and phase and group velocitiy spectral dependencies are taken into…

Classical Physics · Physics 2009-11-13 Damian Terris , Karl Joulain , David Lacroix , Denis Lemonnier

Electronic structure calculations in the time domain provide a deeper understanding of nonequilibrium dynamics in materials. The real-time Boltzmann equation (rt-BTE), used in conjunction with accurate interactions computed from first…

Materials Science · Physics 2025-09-16 Jia Yao , Ivan Maliyov , David J. Gardner , Carol S. Woodward , Marco Bernardi

Nonequilibrium dynamics governed by electron-phonon (e-ph) interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in materials. The real-time Boltzmann transport…

Materials Science · Physics 2023-11-14 Ivan Maliyov , Jia Yin , Jia Yao , Chao Yang , Marco Bernardi

We present BTE-Barna (Boltzmann Transport Equation - Beyond the Rta for NAnosystems), a software package that extends the Monte Carlo (MC) module of the almaBTE solver of the Peierls-Boltzmann transport equation for phonons (PBTE) to work…

Computational Physics · Physics 2022-09-14 Martí Raya-Moreno , Xavier Cartoixà , Jesús Carrete

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

In this paper, a physics-oriented stochastic kinetic scheme will be developed that includes random inputs from both flow and electromagnetic fields via a hybridization of stochastic Galerkin and collocation methods. Based on the BGK-type…

Computational Physics · Physics 2021-03-17 Tianbai Xiao , Martin Frank

A first-principles density functional method along with the direct solution of linearized Boltzmann transport equations are employed to systematically analyze the low-temperature thermal transport in crystalline GeTe. The extensive thermal…

Materials Science · Physics 2020-09-28 Kanka Ghosh , Andrzej Kusiak , Jean-Luc Battaglia

In this book chapter we provide the definition of "Simulating Nanoscale Heat Transport", broadly regarded as modeling heat conduction beyond Fourier's law. We primarely focus on incoherent transport, which is dominated by scattering between…

Materials Science · Physics 2015-06-22 Giuseppe Romano , Jean-Philippe Peraud , Jeffrey C. Grossman

Two-dimensional (2D) ZrS2 monolayer (ML) has emerged as a promising candidate for thermoelectric (TE) device applications due to its high TE figure of merit, which is mainly contributed by its inherently low lattice thermal conductivity.…

Materials Science · Physics 2021-08-13 Abhiyan Pandit , Bothina Hamad

The discretized equilibrium distributions of the lattice Boltzmann method are presented by using the coefficients of the Lagrange interpolating polynomials that pass through the points related to discrete velocities and using moments of the…

Computational Physics · Physics 2020-11-10 Jae Wan Shim