A data-driven reduced-order model for stiff chemical kinetics using dynamics-informed training

V Vijayarangan, HA Uranakara, S Barwey, RM Galassi… - Energy and AI, 2024 - Elsevier
A data-based reduced-order model (ROM) is developed to accelerate the time integration of
stiff chemically reacting systems by effectively removing the stiffness arising from a wide …

The partially stirred reactor model for combustion closure in large eddy simulations: Physical principles, sub-models for the cell reacting fraction, and open challenges

A Péquin, S Iavarone, R Malpica Galassi, A Parente - Physics of Fluids, 2022 - pubs.aip.org
For their ability to account for finite-rate chemistry, reactor-based models are well suited
Turbulence–Chemistry Interactions (TCI) Sub-Grid Scale (SGS) closures for Large Eddy …

[HTML][HTML] HPC-enabling technologies for high-fidelity combustion simulations

D Mira, EJ Pérez-Sánchez, R Borrell… - Proceedings of the …, 2023 - Elsevier
With the increase in computational power in the last decade and the forthcoming Exascale
supercomputers, a new horizon in computational modelling and simulation is envisioned in …

PyCSP: A Python package for the analysis and simplification of chemically reacting systems based on Computational Singular Perturbation

RM Galassi - Computer Physics Communications, 2022 - Elsevier
PyCSP is a Python package for the analysis and simplification of chemically reacting
systems, using algorithms based on the Computational Singular Perturbation (CSP) theory …

Combustion chemistry acceleration with DeepONets

A Kumar, T Echekki - Fuel, 2024 - Elsevier
A combustion chemistry acceleration scheme for implementation in reacting flow simulations
is developed based on deep operator nets (DeepONets). The scheme is based on a …

Training stiff neural ordinary differential equations with implicit single-step methods

C Fronk, L Petzold - Chaos: An Interdisciplinary Journal of Nonlinear …, 2024 - pubs.aip.org
Stiff systems of ordinary differential equations (ODEs) are pervasive in many science and
engineering fields, yet standard neural ODE approaches struggle to learn them. This …

Slow invariant manifolds of singularly perturbed systems via physics-informed machine learning

D Patsatzis, G Fabiani, L Russo, C Siettos - SIAM Journal on Scientific …, 2024 - SIAM
We present a physics-informed machine learning (PIML) approach for the approximation of
slow invariant manifolds of singularly perturbed systems, providing functionals in an explicit …

Deep learning dynamical latencies for the analysis and reduction of combustion chemistry kinetics

L Castellanos, R SM Freitas, A Parente, F Contino - Physics of Fluids, 2023 - pubs.aip.org
The modeling of chemical kinetics holds many challenges, as well as a necessity for more
efficient modeling techniques, together with dimensionality reduction techniques. This work …

[PDF][PDF] Machine learning for combustion chemistry

T Echekki, A Farooq, M Ihme… - Machine learning and its …, 2023 - library.oapen.org
Abstract Machine learning provides a set of new tools for the analysis, reduction and
acceleration of combustion chemistry. The implementation of such tools is not new …

Accelerating chemical kinetics calculations with physics informed neural networks

A Almeldein, N Van Dam - … of Engineering for …, 2023 - asmedigitalcollection.asme.org
Detailed chemical kinetics calculations can be very computationally expensive, and so
various approaches have been used to speed up combustion calculations. Deep neural …