ClAssical Trajectory Calculation Direct Simulation Monte Carlo: GPU acceleration and three body collisions

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Scopus citations

Abstract

In this work we outline a Classical Trajectory Calculation Direct Simulation Monte Carlo (CTC-DSMC) implementation that uses the no-time-counter scheme with a cross-section that is determined by the interatomic potential energy surface. CTC-DSMC solutions for translational and rotational relaxation in one-dimensional shock waves are compared directly to pure Molecular Dynamics simulations employing an identical potential energy surface, where exact agreement is demonstrated for all cases. A preliminary algorithm for determining the three body collision rate in CTC-DSMC simulations is presented. This algorithm is validated for the simple case of molecules with no interatomic potential, and is found to be in excellent agreement with molecular dynamics simulations. A parallelization technique for CTC-DSMC simulations involving only two body collisions using a hetero- geneous multicore CPU/GPU system is demonstrated. This scheme shows good scaling as long as a sufficiently large number of collisions are calculated simultaneously per GPU (~100,000) at each DSMC iteration. We achieve a maximum speedup of 140× on a 4 GPU/CPU system vs. the performance on one CPU core in serial for a diatomic nitrogen shock. The parallelization approach presented here significantly reduces the cost of CTC- DSMC simulations and has the potential to scale to large CPU/GPU clusters, which could enable future application to 3D flows in strong thermochemical nonequilibrium.

Original languageEnglish (US)
Title of host publication51st AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition 2013
PublisherAmerican Institute of Aeronautics and Astronautics Inc.
ISBN (Print)9781624101816
DOIs
StatePublished - 2013
Event51st AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition 2013 - Grapevine, TX, United States
Duration: Jan 7 2013Jan 10 2013

Publication series

Name51st AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition 2013

Other

Other51st AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition 2013
CountryUnited States
CityGrapevine, TX
Period1/7/131/10/13

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    Norman, P., & Schwartzentruber, T. E. (2013). ClAssical Trajectory Calculation Direct Simulation Monte Carlo: GPU acceleration and three body collisions. In 51st AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition 2013 (51st AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition 2013). American Institute of Aeronautics and Astronautics Inc.. https://doi.org/10.2514/6.2013-1200