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Title: Characterizing Tradeoffs in Memory, Accuracy, and Speed for Chemistry Tabulation Techniques

Journal Article · · Combustion Science and Technology

Chemistry tabulation is a common approach in practical simulations of turbulent combustion at engineering scales. Linear interpolants have traditionally been used for accessing precomputed multidimensional tables but suffer from large memory requirements and discontinuous derivatives. Higher-degree interpolants address some of these restrictions but are similarly limited to relatively low-dimensional tabulation. Artificial neural networks (ANNs) can be used to overcome these limitations but cannot guarantee the same accuracy as interpolants and introduce challenges in reproducibility and reliable training. These challenges are enhanced as the physics complexity to be represented within the tabulation increases. Here, we assess the efficiency, accuracy, and memory requirements of Lagrange polynomials, tensor product B-splines, and ANNs as tabulation strategies. We analyze results in the context of nonadiabatic flamelet modeling where higher dimension counts are necessary. While ANNs do not require structuring of data, providing benefits for complex physics representation, interpolation approaches often rely on some structuring of the table. Interpolation using structured table inputs that are not directly related to the variables transported in a simulation can incur additional query costs. This is demonstrated in the present implementation of heat losses. We show that ANNs, despite being difficult to train and reproduce, can be advantageous for high-dimensional, unstructured datasets relevant to nonadiabatic flamelet models. Furthermore we demonstrate that Lagrange polynomials show significant speedup for similar accuracy compared to B-splines.

Research Organization:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
NA0003525
OSTI ID:
1882871
Report Number(s):
SAND2022-0633J; 702882
Journal Information:
Combustion Science and Technology, Journal Name: Combustion Science and Technology Journal Issue: 11 Vol. 195; ISSN 0010-2202
Publisher:
Taylor & FrancisCopyright Statement
Country of Publication:
United States
Language:
English

References (22)

Artificial neural network implementation of chemistry with pdf simulation of H2/CO2 flames journal September 1996
Laminar diffusion flamelet models in non-premixed turbulent combustion journal January 1984
Modelling the Temporal Evolution of a Reduced Combustion Chemical System With an Artificial Neural Network journal April 1998
An economical strategy for storage of chemical kinetics: Fitting in situ adaptive tabulation with artificial neural networks journal January 2000
A single-step time-integrator of a methane–air chemical system using artificial neural networks journal November 1999
Laminar flamelet modeling of a turbulent CH4/H2/N2 jet diffusion flame using artificial neural networks journal May 2012
Linear eddy mixing based tabulation and artificial neural networks for large eddy simulations of turbulent flames journal January 2010
Chemical explosive mode analysis for a turbulent lifted ethylene jet flame in highly-heated coflow journal January 2012
Tabulation of combustion chemistry via Artificial Neural Networks (ANNs): Methodology and application to LES-PDF simulation of Sydney flame L journal November 2017
Experimental and numerical study of water sprayed turbulent combustion: Proposal of a neural network modeling for five-dimensional flamelet approach journal September 2021
Investigation of lengthscales, scalar dissipation, and flame orientation in a piloted diffusion flame by LES journal January 2005
Turbulent premixed flame modeling using artificial neural networks based chemical kinetics journal January 2009
Optimal artificial neural networks and tabulation methods for chemistry representation in LES of a bluff-body swirl-stabilized flame journal January 2009
A chemistry tabulation approach via Rate-Controlled Constrained Equilibrium (RCCE) and Artificial Neural Networks (ANNs), with application to turbulent non-premixed CH4/H2/N2 flames journal January 2013
Efficient bifurcation and tabulation of multi-dimensional combustion manifolds using deep mixture of experts: An a priori study journal January 2021
Turbulent Combustion book January 2010
Predicting large-scale pool fire dynamics using an unsteady flamelet- and large-eddy simulation-based model suite journal August 2021
Adaptive chemistry lookup tables for combustion simulations using optimal B-spline interpolants journal February 2019
A technique for characterising feature size and quality of manifolds journal June 2021
Generation of Optimal Artificial Neural Networks Using a Pattern Search Algorithm: Application to Approximation of Chemical Systems journal February 2008
Application of deep artificial neural networks to multi-dimensional flamelet libraries and spray flames journal March 2019
An Explicit Low-Mach Projection Method for Modeling Flows with Finite-Rate Chemistry. conference June 2020