Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability Regimes

Abstract In this second part of the two paper series, we detail an algorithmic procedure for systematically implementing the generalized closure form strategy presented in Part 1. This strategy extends the applicability of homogenized models with respect to classical homogenization theory, as demons...

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Main Authors: Kyle Pietrzyk, Ilenia Battiato
Format: Article
Language:English
Published: Wiley 2023-07-01
Series:Water Resources Research
Subjects:
Online Access:https://doi.org/10.1029/2023WR034894
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author Kyle Pietrzyk
Ilenia Battiato
author_facet Kyle Pietrzyk
Ilenia Battiato
author_sort Kyle Pietrzyk
collection DOAJ
description Abstract In this second part of the two paper series, we detail an algorithmic procedure for systematically implementing the generalized closure form strategy presented in Part 1. This strategy extends the applicability of homogenized models with respect to classical homogenization theory, as demonstrated in Part 1 where upscaled models are rigorously derived in moderately reactive physical regimes. After encoding the algorithm into Symbolica, an automated upscaling framework, we upscale two reactive mass transport problems and numerically validate the resulting nonlinear homogenized models by showing the absolute error estimates predicted by homogenization theory are satisfied. In both problems, nontrivial closure forms and closure problems are automatically formulated using the encoded strategy with no human interaction, nor prior knowledge regarding the closure required for the systems. We hope these demonstrations spark further interest in automated analytical frameworks for multiscale modeling, as such capabilities are invaluable for generating rigorous multiscale models of complex phenomena in porous media.
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spelling doaj-art-253b16336f5e4ebeb5f6c485c44b94e22025-07-04T06:40:25ZengWileyWater Resources Research0043-13971944-79732023-07-01597n/an/a10.1029/2023WR034894Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability RegimesKyle Pietrzyk0Ilenia Battiato1Department of Energy Resources Engineering Stanford University Stanford CA USADepartment of Energy Resources Engineering Stanford University Stanford CA USAAbstract In this second part of the two paper series, we detail an algorithmic procedure for systematically implementing the generalized closure form strategy presented in Part 1. This strategy extends the applicability of homogenized models with respect to classical homogenization theory, as demonstrated in Part 1 where upscaled models are rigorously derived in moderately reactive physical regimes. After encoding the algorithm into Symbolica, an automated upscaling framework, we upscale two reactive mass transport problems and numerically validate the resulting nonlinear homogenized models by showing the absolute error estimates predicted by homogenization theory are satisfied. In both problems, nontrivial closure forms and closure problems are automatically formulated using the encoded strategy with no human interaction, nor prior knowledge regarding the closure required for the systems. We hope these demonstrations spark further interest in automated analytical frameworks for multiscale modeling, as such capabilities are invaluable for generating rigorous multiscale models of complex phenomena in porous media.https://doi.org/10.1029/2023WR034894symbolic upscalinghomogenizationreactive transport
spellingShingle Kyle Pietrzyk
Ilenia Battiato
Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability Regimes
Water Resources Research
symbolic upscaling
homogenization
reactive transport
title Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability Regimes
title_full Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability Regimes
title_fullStr Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability Regimes
title_full_unstemmed Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability Regimes
title_short Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability Regimes
title_sort automated symbolic upscaling 2 model generation for extended applicability regimes
topic symbolic upscaling
homogenization
reactive transport
url https://doi.org/10.1029/2023WR034894
work_keys_str_mv AT kylepietrzyk automatedsymbolicupscaling2modelgenerationforextendedapplicabilityregimes
AT ileniabattiato automatedsymbolicupscaling2modelgenerationforextendedapplicabilityregimes