High-Performance Python-based Simulations of Pressure and Temperature Waves in a Trace Gas Sensor

Abstract—We present a coupled model of temperature and pressure waves applicable to photoacoustic trace gas sensors. We discretize this model with finite elements using the Python-based FEniCS project. To validate the generated code, we observe optimal convergence rates to a plane wave solution in one and two dimensions. Through the petsc4py package, we use the scalable LU solver MUMPS and preconditioned Krylov methods to perform the numerical linear algebra on a workstation and explore scaling results results on the Baylor University cluster Kodiak. Finally, we use the automated mesh adaptivity of FEniCS to optimize the computation of heat flux along a portion of the boundary, arriving at comparable accuracy to uniform refinement using a factor of forty fewer cells. I