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ShengBTE - solving Boltzmann Transport Equation for phonons

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Introduction

ShengBTE is a software package for solving the Boltzmann Transport Equation for phonons. According to its website, "Its main purpose is to compute the lattice contribution to the thermal conductivity of bulk crystalline solids, ;but nanowires can also be treated under a hypothesis of diffusive boundary conditions. In addition to the thermal conductivity itself, ShengBTE computes and outputs plenty of additional information about the system under study. See the Features page for a more complete description. Our method is fully parameter-free, and within its limits of applicability it can yield excellent agreement with experiment. In contrast with parametric methods, it can also be used to predict the lattice thermal conductivity of uncharacterized or even as-yet-unsynthesized materials."

See the Software_Versions tab for a list of WestGrid systems on which ShengBTE has been installed.

 

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2015-09-21 - Page created.