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Development of physics-based reduced-order models for reacting flow applications

Abstract : With the final objective being to developreduced-order models for combustion applications,unsupervised and supervised machine learningtechniques were tested and combined in the workof the present Thesis for feature extraction and theconstruction of reduced-order models. Thus, the applicationof data-driven techniques for the detection offeatures from turbulent combustion data sets (directnumerical simulation) was investigated on two H2/COflames: a spatially-evolving (DNS1) and a temporallyevolvingjet (DNS2). Methods such as Principal ComponentAnalysis (PCA), Local Principal ComponentAnalysis (LPCA), Non-negative Matrix Factorization(NMF) and Autoencoders were explored for this purpose.It was shown that various factors could affectthe performance of these methods, such as the criteriaemployed for the centering and the scaling of theoriginal data or the choice of the number of dimensionsin the low-rank approximations. A set of guidelineswas presented that can aid the process ofidentifying meaningful physical features from turbulentreactive flows data. Data compression methods suchas Principal Component Analysis (PCA) and variationswere combined with interpolation methods suchas Kriging, for the construction of computationally affordablereduced-order models for the prediction ofthe state of a combustion system for unseen operatingconditions or combinations of model input parametervalues. The methodology was first tested forthe prediction of 1D flames with an increasing numberof input parameters (equivalence ratio, fuel compositionand inlet temperature), with variations of the classicPCA approach, namely constrained PCA and localPCA, being applied to combustion cases for the firsttime in combination with an interpolation technique.The positive outcome of the study led to the applicationof the proposed methodology to 2D flames withtwo input parameters, namely fuel composition andinlet velocity, which produced satisfactory results. Alternativesto the chosen unsupervised and supervisedmethods were also tested on the same 2D data.The use of non-negative matrix factorization (NMF) forlow-rank approximation was investigated because ofthe ability of the method to represent positive-valueddata, which helps the non-violation of important physicallaws such as positivity of chemical species massfractions, and compared to PCA. As alternative supervisedmethods, the combination of polynomial chaosexpansion (PCE) and Kriging and the use of artificialneural networks (ANNs) were tested. Results from thementioned work paved the way for the developmentof a digital twin of a combustion furnace from a setof 3D simulations. The combination of PCA and Krigingwas also employed in the context of uncertaintyquantification (UQ), specifically in the bound-to-bounddata collaboration framework (B2B-DC), which led tothe introduction of the reduced-order B2B-DC procedureas for the first time the B2B-DC was developedin terms of latent variables and not in terms of originalphysical variables.
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  • HAL Id : tel-02427177, version 1

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Gianmarco Aversano. Development of physics-based reduced-order models for reacting flow applications. Chemical and Process Engineering. Université Paris-Saclay; Université libre de Bruxelles (1970-..), 2019. English. ⟨NNT : 2019SACLC095⟩. ⟨tel-02427177⟩

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