Learning reaction-transport coupling from thermal waves

Although thermal waves are ubiquitous in nature and engineering, the development of diagnostic tools capable of elucidating the roles of reaction and transport remains an unmet need. This limits our comprehension of the physics and ability to predict wave dynamics. Here we demonstrate that thermal p...

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Main Authors: Kim, Suyong, Deng, Sili
Other Authors: Massachusetts Institute of Technology. Department of Mechanical Engineering
Format: Article
Language:English
Published: Springer Science and Business Media LLC 2025
Online Access:https://hdl.handle.net/1721.1/158171
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author Kim, Suyong
Deng, Sili
author2 Massachusetts Institute of Technology. Department of Mechanical Engineering
author_facet Massachusetts Institute of Technology. Department of Mechanical Engineering
Kim, Suyong
Deng, Sili
author_sort Kim, Suyong
collection MIT
description Although thermal waves are ubiquitous in nature and engineering, the development of diagnostic tools capable of elucidating the roles of reaction and transport remains an unmet need. This limits our comprehension of the physics and ability to predict wave dynamics. Here we demonstrate that thermal properties and chemical kinetics can be learned directly from observing thermal wave dynamics, using partial differential equation-constrained optimization. This enables the determination of unobserved reaction rates without the need for a comprehensive measurement of all state variables, given the model space constrained by governing equations. Examples include steady planar waves and unsteady pulsating waves of which dynamics are commonly observed in nature. We show successful learning of thermal properties and chemical kinetics and reconstruction of wave dynamics with the inferred properties, which enables the comprehension of the intricate reaction-transport coupling from thermal data.
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spelling mit-1721.1/1581712025-02-05T16:13:18Z Learning reaction-transport coupling from thermal waves Kim, Suyong Deng, Sili Massachusetts Institute of Technology. Department of Mechanical Engineering Although thermal waves are ubiquitous in nature and engineering, the development of diagnostic tools capable of elucidating the roles of reaction and transport remains an unmet need. This limits our comprehension of the physics and ability to predict wave dynamics. Here we demonstrate that thermal properties and chemical kinetics can be learned directly from observing thermal wave dynamics, using partial differential equation-constrained optimization. This enables the determination of unobserved reaction rates without the need for a comprehensive measurement of all state variables, given the model space constrained by governing equations. Examples include steady planar waves and unsteady pulsating waves of which dynamics are commonly observed in nature. We show successful learning of thermal properties and chemical kinetics and reconstruction of wave dynamics with the inferred properties, which enables the comprehension of the intricate reaction-transport coupling from thermal data. 2025-02-05T16:13:17Z 2025-02-05T16:13:17Z 2024-11-15 2025-02-05T15:51:03Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/158171 Kim, S., Deng, S. Learning reaction-transport coupling from thermal waves. Nat Commun 15, 9930 (2024). en 10.1038/s41467-024-54177-2 Nature Communications Creative Commons Attribution-NonCommercial-NoDerivatives https://creativecommons.org/licenses/by-nc-nd/4.0/ application/pdf Springer Science and Business Media LLC Springer Science and Business Media LLC
spellingShingle Kim, Suyong
Deng, Sili
Learning reaction-transport coupling from thermal waves
title Learning reaction-transport coupling from thermal waves
title_full Learning reaction-transport coupling from thermal waves
title_fullStr Learning reaction-transport coupling from thermal waves
title_full_unstemmed Learning reaction-transport coupling from thermal waves
title_short Learning reaction-transport coupling from thermal waves
title_sort learning reaction transport coupling from thermal waves
url https://hdl.handle.net/1721.1/158171
work_keys_str_mv AT kimsuyong learningreactiontransportcouplingfromthermalwaves
AT dengsili learningreactiontransportcouplingfromthermalwaves