Enforcing positivity in intrusive PC-UQ methods for reactive ODE systems

Najm, Habib N.; Valorani, Mauro

doi:10.1016/j.jcp.2014.03.061

Title: Enforcing positivity in intrusive PC-UQ methods for reactive ODE systems

Journal Article · Sat Apr 12 00:00:00 EDT 2014 · Journal of Computational Physics

DOI:https://doi.org/10.1016/j.jcp.2014.03.061· OSTI ID:1106517

Najm, Habib N. ^[1]; Valorani, Mauro ^[2]

Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Sapienza Univ. of Rome (Italy)

We explore the relation between the development of a non-negligible probability of negative states and the instability of numerical integration of the intrusive Galerkin ordinary differential equation system describing uncertain chemical ignition. To prevent this instability without resorting to either multi-element local polynomial chaos (PC) methods or increasing the order of the PC representation in time, we propose a procedure aimed at modifying the amplitude of the PC modes to bring the probability of negative state values below a user-defined threshold. This modification can be effectively described as a filtering procedure of the spectral PC coefficients, which is applied on-the-fly during the numerical integration when the current value of the probability of negative states exceeds the prescribed threshold. We demonstrate the filtering procedure using a simple model of an ignition process in a batch reactor. This is carried out by comparing different observables and error measures as obtained by non-intrusive Monte Carlo and Gauss-quadrature integration and the filtered intrusive procedure. Lastly, the filtering procedure has been shown to effectively stabilize divergent intrusive solutions, and also to improve the accuracy of stable intrusive solutions which are close to the stability limits.

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Research Organization:: Sandia National Lab. (SNL-CA), Livermore, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1106517

Report Number(s):: SAND2013-6540J; PII: S0021999114002484

Journal Information:: Journal of Computational Physics, Vol. 270; Related Information: Proposed for publication in Journal of Computational Physics.; ISSN 0021-9991

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 9 works

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