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 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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Publication Details

Journal
Nature Communications
Published
2024-11-15
DOI
https://doi.org/10.1038/s41467-024-54177-2
Citations
5
Primary Topic
Thermal properties of materials
Type
article
Field-Weighted Citation Impact
0.59

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article

Learning reaction-transport coupling from thermal waves

Sili Deng, Suyong Kim
5 citations
Nature Communications
Thermal properties of materials
0.59
article

Learning reaction-transport coupling from thermal waves

Sili Deng, Suyong Kim
article en
5 citations

Abstract

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.

Nature CommunicationsVol. 15(1)
Massachusetts Institute of Technology (US)
Volkswagen of America, MathWorks
Affordable and clean energy
Openalex Percentile: Top 33%
Thermal properties of materials
0.59
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