Optimization of one-parameter family of integration formulae for solving stiff chemical-kinetic ODEs

Abstract A fast and robust Jacobian-free time-integration method—called Minimum-error Adaptation of a Chemical-Kinetic ODE Solver (MACKS)—for solving stiff ODEs pertaining to chemical-kinetics is proposed herein. The MACKS formulation is based on optimization of the one-parameter family of integrati...

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Autores principales:	Youhi Morii, Eiji Shima
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/27a077bd2a154541bf1223e18902077c
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spelling	oai:doaj.org-article:27a077bd2a154541bf1223e18902077c2021-12-02T15:10:31ZOptimization of one-parameter family of integration formulae for solving stiff chemical-kinetic ODEs10.1038/s41598-020-78301-62045-2322https://doaj.org/article/27a077bd2a154541bf1223e18902077c2020-12-01T00:00:00Zhttps://doi.org/10.1038/s41598-020-78301-6https://doaj.org/toc/2045-2322Abstract A fast and robust Jacobian-free time-integration method—called Minimum-error Adaptation of a Chemical-Kinetic ODE Solver (MACKS)—for solving stiff ODEs pertaining to chemical-kinetics is proposed herein. The MACKS formulation is based on optimization of the one-parameter family of integration formulae coupled with a dual time-stepping method to facilitate error minimization. The proposed method demonstrates higher accuracy compared to the method—Extended Robustness-enhanced numerical algorithm (ERENA)—previously proposed by the authors. Additionally, when this method is employed in homogeneous-ignition simulations, it facilitates realization of faster performance compared to CVODE.Youhi MoriiEiji ShimaNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 10, Iss 1, Pp 1-13 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Youhi Morii Eiji Shima Optimization of one-parameter family of integration formulae for solving stiff chemical-kinetic ODEs
description	Abstract A fast and robust Jacobian-free time-integration method—called Minimum-error Adaptation of a Chemical-Kinetic ODE Solver (MACKS)—for solving stiff ODEs pertaining to chemical-kinetics is proposed herein. The MACKS formulation is based on optimization of the one-parameter family of integration formulae coupled with a dual time-stepping method to facilitate error minimization. The proposed method demonstrates higher accuracy compared to the method—Extended Robustness-enhanced numerical algorithm (ERENA)—previously proposed by the authors. Additionally, when this method is employed in homogeneous-ignition simulations, it facilitates realization of faster performance compared to CVODE.
format	article
author	Youhi Morii Eiji Shima
author_facet	Youhi Morii Eiji Shima
author_sort	Youhi Morii
title	Optimization of one-parameter family of integration formulae for solving stiff chemical-kinetic ODEs
title_short	Optimization of one-parameter family of integration formulae for solving stiff chemical-kinetic ODEs
title_full	Optimization of one-parameter family of integration formulae for solving stiff chemical-kinetic ODEs
title_fullStr	Optimization of one-parameter family of integration formulae for solving stiff chemical-kinetic ODEs
title_full_unstemmed	Optimization of one-parameter family of integration formulae for solving stiff chemical-kinetic ODEs
title_sort	optimization of one-parameter family of integration formulae for solving stiff chemical-kinetic odes
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/27a077bd2a154541bf1223e18902077c
work_keys_str_mv	AT youhimorii optimizationofoneparameterfamilyofintegrationformulaeforsolvingstiffchemicalkineticodes AT eijishima optimizationofoneparameterfamilyofintegrationformulaeforsolvingstiffchemicalkineticodes
_version_	1718387680562118656

Optimization of one-parameter family of integration formulae for solving stiff chemical-kinetic ODEs

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