Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Direct simulation Monte Carlo on petaflop supercomputers and beyond

Journal Article · · Physics of Fluids
DOI:https://doi.org/10.1063/1.5108534· OSTI ID:1559524

The gold-standard definition of the Direct Simulation Monte Carlo (DSMC) method is given in the 1994 book by Bird [Molecular Gas Dynamics and the Direct Simulation of Gas Flows (Clarendon Press, Oxford, UK, 1994)], which refined his pioneering earlier papers in which he first formulated the method. In the intervening 25 years, DSMC has become the method of choice for modeling rarefied gas dynamics in a variety of scenarios. The chief concern to applying DSMC to more dense or even continuum flows is its computational expense compared to continuum computational fluid dynamics methods. The dramatic (nearly billion-fold) increase in speed of the largest supercomputers over the last 30 years has thus been a key enabling factor in using DSMC to model a richer variety of flows, due to the method’s inherent parallelism. We have developed the open-source SPARTA DSMC code with the goal of running DSMC efficiently on the largest machines, both current and future. It is largely an implementation of Bird’s 1994 formulation. In this work, we describe algorithms used in SPARTA to enable DSMC to operate in parallel at the scale of many billions of particles or grid cells, or with billions of surface elements. We highlight a few examples of the kinds of fundamental physics questions and engineering applications that DSMC can address at these scales.

Research Organization:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
AC04-94AL85000; NA0003525
OSTI ID:
1559524
Report Number(s):
SAND--2019-9819J; 678677
Journal Information:
Physics of Fluids, Journal Name: Physics of Fluids Journal Issue: 8 Vol. 31; ISSN 1070-6631
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

References (49)

Direct Simulation Monte Carlo Simulations of Hypersonic Flows With Shock Interactions journal December 2005
An experimental assembly for precise measurement of thermal accommodation coefficients journal March 2011
Approach to Translational Equilibrium in a Rigid Sphere Gas journal January 1963
Statistical simulation of the transition between regular and mach reflection in steady flows journal January 1998
Gas-kinetic simulation of sustained turbulence in minimal Couette flow journal July 2018
dsmcFoam+: An OpenFOAM based direct simulation Monte Carlo solver journal March 2018
A new algorithm for Monte Carlo simulation of Ising spin systems journal January 1975
Direct simulation Monte Carlo investigation of the Rayleigh-Taylor instability journal August 2016
A Parallel Rendezvous Algorithm for Interpolation Between Multiple Grids
  • Plimpton, S.; Hendrickson, B.; Stewart, J.
  • SC98 - High Performance Networking and Computing Conference, Proceedings of the IEEE/ACM SC98 Conference https://doi.org/10.1109/sc.1998.10032
conference January 1998
Molecular-Level Simulations of Turbulence and Its Decay journal February 2017
A general method for numerically simulating the stochastic time evolution of coupled chemical reactions journal December 1976
Application highlights of the DSMC Analysis Code (DAC) software for simulating rarefied flows journal December 2001
The instability of liquid surfaces when accelerated in a direction perpendicular to their planes. I journal March 1950
PuMA: the Porous Microstructure Analysis software journal January 2018
Effects of Diffusion on Interface Instability between Gases journal January 1962
Marching cubes: A high resolution 3D surface construction algorithm journal August 1987
Exact stochastic simulation of coupled chemical reactions journal December 1977
Efficient Implementation of Marching Cubes' Cases with Topological Guarantees journal January 2003
Direct simulation Monte Carlo investigation of the Richtmyer-Meshkov instability journal August 2015
Nanohydrodynamics simulations: An atomistic view of the Rayleigh-Taylor instability journal April 2004
Kokkos: Enabling manycore performance portability through polymorphic memory access patterns journal December 2014
Theory of the Rayleigh-Taylor instability journal August 1991
The instability of liquid surfaces when accelerated in a direction perpendicular to their planes. II journal June 1950
Nonequilibrium flow through porous thermal protection materials, Part I: Numerical methods journal March 2019
Turbulence book June 2015
A parallel rendezvous algorithm for interpolation between multiple grids journal February 2004
Rayleigh–Taylor and Richtmyer–Meshkov instability induced flow, turbulence, and mixing. I journal December 2017
Robust cut-cell algorithms for DSMC implementations employing multi-level Cartesian grids journal October 2012
Review of theoretical modelling approaches of Rayleigh–Taylor instabilities and turbulent mixing journal April 2010
A Partitioning Strategy for Nonuniform Problems on Multiprocessors journal May 1987
Marching cubes: A high resolution 3D surface construction algorithm
  • Lorensen, William E.; Cline, Harvey E.
  • Proceedings of the 14th annual conference on Computer graphics and interactive techniques - SIGGRAPH '87 https://doi.org/10.1145/37401.37422
conference January 1987
Rayleigh–Taylor and Richtmyer–Meshkov instability induced flow, turbulence, and mixing. II journal December 2017
Hidden surface removal using polygon area sorting journal August 1977
Molecular gas dynamics observations of Chapman-Enskog behavior and departures therefrom in nonequilibrium gases journal April 2004
Hidden surface removal using polygon area sorting conference January 1977
On the Instability of Superposed Fluids in a Gravitational Field. journal July 1955
Turbulence: The Legacy of A. N. Kolmogorov book January 1996
An open source, parallel DSMC code for rarefied gas flows in arbitrary geometries journal December 2010
High temperature permeability of fibrous materials using direct simulation Monte Carlo journal March 2017
A convergence proof for Bird's direct simulation Monte Carlo method for the Boltzmann equation journal February 1992
Practical considerations on Marching Cubes 33 topological correctness journal November 2013
An overview of Rayleigh-Taylor instability journal July 1984
Modeling the oxidation of low-density carbon fiber material based on micro-tomography journal January 2016
Investigation of the ellipsoidal-statistical Bhatnagar–Gross–Krook kinetic model applied to gas-phase transport of heat and tangential momentum between parallel walls journal March 2011
Atomistic simulation of the Rayleigh-Taylor instability journal September 2006
Robust Cut-cell Algorithms for DSMC Implementations Employing Multi-level Cartesian Grids conference June 2011
3D DSMC computations on a heterogeneous CPU-GPU cluster with a large number of GPUs conference January 2014
Atomistic methods in fluid simulation
  • Kadau, Kai; Barber, John L.; Germann, Timothy C.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 368, Issue 1916 https://doi.org/10.1098/rsta.2009.0218
journal April 2010
A new Strouhal–Reynolds-number relationship for the circular cylinder in the range 47<2×105 journal July 1998

Cited By (1)

Graeme A. Bird journal November 2019