OpenBTE computes mode-resolved phonon transport using the Boltzmann transport equations. Main features include:

• Interfaced with first-principles solvers (e.g. AlmaBTE)
• Diffuse, isothermal, and periodic boundary conditions.
• Efficient discretization based on the vectorial phonon mean-free-paths (MFP)
• The full anisotropy of the phonon dispersion is retained, as opposed to commonly used isotropization.
• GPU-Accelerated differentiable phonon transport simulations based on JAX (added in 2022)
• Inverse design capabilities

Developed by Giuseppe Romano (romanog@mit.edu).

Coming soon: Steady-state BTE using the full scattering operator Link. You can provide your own scattering operator (only upper diagonal) and perform space-dependent simulations.

References:

G. Romano, OpenBTE: a Solver for ab-initio Phonon Transport in Multidimensional Structures, arXiv:2106.02764, (2021) Link

G. Romano and S. G. Johnson, Inverse design in nanoscale heat transport via interpolating interfacial phonon transmission, Structural and Multidisciplinary Optimization, (2022) Link

G. Romano, Efficient calculations of the mode-resolved ab-initio thermal conductivity in nanostructures, arXiv:2105.08181 (2021) Link

G. Romano, A Di Carlo, and J.C. Grossman, Mesoscale modeling of phononic thermal conductivity of porous Si: interplay between porosity, morphology and surface roughness. Journal of Computational Electronics 11 (1), 8-13 52 (2012) Link