Algebraic stabilization of explicit numerical integration for extremely stiff reaction networks

DOI10.1016/J.JCP.2012.04.026MaRDI QIDQ453094zbMATH OpenOpenAlexFDO

Authors Mike Guidry

Publication date 18 September 2012

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1112.4778

zbMATH Keywords

algorithmordinary differential equationsstiffnesscombustionreactive flowsastrophysical thermonuclear networksnucleosynthesisreaction networks

Mathematics Subject Classification ID

Nonlinear ordinary differential equations and systems (34A34) Numerical methods for stiff equations (65L04) Stability and convergence of numerical methods for ordinary differential equations (65L20) Combustion (80A25) Nuclear reactor theory; neutron transport (82D75)

Abstract: In contrast to the prevailing view in the literature, it is shown that even extremely stiff sets of ordinary differential equations may be solved efficiently by explicit methods if limiting algebraic solutions are used to stabilize the numerical integration. The stabilizing algebra differs essentially for systems well-removed from equilibrium and those near equilibrium. Explicit asymptotic and quasi-steady-state methods that are appropriate when the system is only weakly equilibrated are examined first. These methods are then extended to the case of close approach to equilibrium through a new implementation of partial equilibrium approximations. Using stringent tests with astrophysical thermonuclear networks, evidence is provided that these methods can deal with the stiffest networks, even in the approach to equilibrium, with accuracy and integration timestepping comparable to that of implicit methods. Because explicit methods can execute a timestep faster and scale more favorably with network size than implicit algorithms, our results suggest that algebraically-stabilized explicit methods might enable integration of larger reaction networks coupled to fluid dynamics than has been feasible previously for a variety of disciplines.

Recommendations

• ABSOLUTELY STABLE EXPLICIT SCHEMES FOR REACTION SYSTEMS
• Numerical solution of stiff systems of differential equations arising from chemical reactions
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• Stochastic Robust Simulation and Stability Properties of Chemical Reaction Networks
• On algebraically stabilized schemes for convection-diffusion-reaction problems
• Numerical solution of stiff ODEs describing complex homogeneous chemical processes
• Numerical integration of reaction-diffusion systems
• Hybrid discrete/continuum algorithms for stochastic reaction networks
• Stability of finite difference schemes for nonlinear complex reaction–diffusion processes
• Stable Numerical Algorithms for Equilibrium Systems

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Cited in

(4)

• Explicit integration with GPU acceleration for large kinetic networks
• ABSOLUTELY STABLE EXPLICIT SCHEMES FOR REACTION SYSTEMS
• Computational methods for nucleosynthesis and nuclear energy generation
• Solving chemical kinetics equations by explicit methods

Describes a project that uses

Uses Software

• FLASH
• LAPACK

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