\texttt{BTE-Barna}: an extension of \texttt{almaBTE} for thermal simulation of devices based on 2D materials

DOI10.1016/J.CPC.2022.108504MaRDI QIDQ6160113zbMATH OpenFDO

Authors Martí Raya-Moreno, Xavier Cartoixà, Jesús Carrete

Publication date 9 May 2023

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2202.00505

zbMATH Keywords

2D materialsBoltzmann transport equationphonons

Mathematics Subject Classification ID

Classical thermodynamics, heat transfer (80-XX) Statistical mechanics, structure of matter (82-XX)

Abstract: 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 with nanosystems based on 2D materials with complex geometries. To properly capture how the phonon occupations evolve in momentum space as a result of scattering, we have supplemented the relaxation-time approximation with an implementation of the propagator for the full linearized version of the PBTE. The code can now find solutions for finite and extended devices under the effect of a thermal gradient, with isothermal reservoirs or with an arbitrary initial temperature distribution in space and time, writing out the temperature and heat flux distributions as well as their spectral decompositions. Besides the full deviational MC solver, a number of useful approximations for highly symmetric devices are also included.

Recommendations

• \texttt{almaBTE}: a solver of the space-time dependent Boltzmann transport equation for phonons in structured materials
• ShengBTE: a solver of the Boltzmann transport equation for phonons
• MCBTE: a variance-reduced Monte Carlo solution of the linearized Boltzmann transport equation for phonons
• Phonon transport simulator (PhonTS)
• An anisotropic full Brillouin zone model for the three dimensional phonon Boltzmann transport equation

Cites work

• \texttt{almaBTE}: a solver of the space-time dependent Boltzmann transport equation for phonons in structured materials
• A Symmetry Preserving Algorithm for Matrix Scaling
• Analysis of Some Krylov Subspace Approximations to the Matrix Exponential Operator
• Electrons and phonons. Reprint
• Nineteen Dubious Ways to Compute the Exponential of a Matrix, Twenty-Five Years Later
• Rundungsfehleranalyse einiger Verfahren zur Summation endlicher Summen
• ShengBTE: a solver of the Boltzmann transport equation for phonons
• The principle of minimized iterations in the solution of the matrix eigenvalue problem
• The scaling and squaring method for the matrix exponential revisited
• Two-dimensional phonon hydrodynamics in narrow strips

Cited in

(2)

• NTMpy: an open source package for solving coupled parabolic differential equations in the framework of the three-temperature model
• MCBTE: a variance-reduced Monte Carlo solution of the linearized Boltzmann transport equation for phonons

This page was built for publication: \texttt{BTE-Barna}: an extension of \texttt{almaBTE} for thermal simulation of devices based on 2D materials

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q6160113)