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Most chemical processes, such as distillation, absorption, extraction, and catalytic reactions, are extremely complex processes that are affected by multiple factors. The relationships between their input variables and output variables are…

Systems and Control · Electrical Eng. & Systems 2021-10-19 Li Sun , Fei Liang , Wutai Cui

Within the scope of reacting flow simulations, the real-time direct integration (DI) of stiff ordinary differential equations (ODE) for the computation of chemical kinetics stands as the primary demand on computational resources. Meanwhile,…

Fluid Dynamics · Physics 2024-03-01 Min Zhang , Runze Mao , Han Li , Zhenhua An , Zhi X. Chen

Neural networks (NN) are implemented as sub-grid flame models in a large-eddy simulation of a single-injector liquid-propellant rocket engine with the aim to replace a look-up table approach. The NN training process presents an…

Fluid Dynamics · Physics 2022-01-11 Zeinab Shadram , Tuan M. Nguyen , Athanasios Sideris , William A. Sirignano

The application of deep neural networks (DNNs) holds considerable promise as a substitute for the direct integration of chemical source terms in combustion simulations. However, challenges persist in ensuring high precision and…

Fluid Dynamics · Physics 2023-12-29 Han Li , Ruixin Yang , Min Zhang , Runze Mao , Zhi X. Chen

We analyse and compare various empirical models of wall pressure spectra beneath turbulent boundary layers and propose an alternative machine learning approach using Artificial Neural Networks (ANN). The analysis and the training of the ANN…

Fluid Dynamics · Physics 2022-03-14 J. Dominique , J. Van den Berghe , C. Schram , M. A. Mendez

This work presents a new approach for premixed turbulent combustion modeling based on convolutional neural networks (CNN). We first propose a framework to reformulate the problem of subgrid flame surface density estimation as a machine…

Fluid Dynamics · Physics 2019-08-02 C. J. Lapeyre , A. Misdariis , N. Cazard , D. Veynante , T. Poinsot

In this paper, multi-layer feed forward neural networks are used to predict the lower heating value of gas (LHV), lower heating value of gasification products including tars and entrained char (LHVp) and syngas yield during gasification of…

Machine Learning · Computer Science 2018-03-14 Daya Shankar Pandey , Saptarshi Das , Indranil Pan , James J. Leahy , Witold Kwapinski

Artificial Neural Networks (ANN) are already heavily involved in methods and applications for frequent tasks in the field of computational chemistry such as representation of potential energy surfaces (PES) and spectroscopic predictions.…

Chemical Physics · Physics 2022-12-23 Silvan Käser , Luis Itza Vazquez-Salazar , Markus Meuwly , Kai Töpfer

Boundary layer turbulence, particularly the vertical fluxes of momentum, shapes the evolution of winds and currents and plays a critical role in weather, climate, and biogeochemical processes. In this work, a unified, data-driven…

Atmospheric and Oceanic Physics · Physics 2025-11-04 Renaud Falga , Sara Shamekh , Laure Zanna

Recently, artificial neural networks (ANNs) in conjunction with stochastic gradient descent optimization methods have been employed to approximately compute solutions of possibly rather high-dimensional partial differential equations…

Numerical Analysis · Mathematics 2021-10-12 Lukas Gonon , Philipp Grohs , Arnulf Jentzen , David Kofler , David Šiška

In recent years, several successful applications of the Artificial Neural Networks (ANNs) have emerged in nuclear physics and high-energy physics, as well as in biology, chemistry, meteorology, and other fields of science. A major goal of…

Distillation is a unit operation with multiple input parameters and multiple output parameters. It is characterized by multiple variables, coupling between input parameters, and non-linear relationship with output parameters. Therefore, it…

Chemical Physics · Physics 2021-07-30 Chunli Li , Chunyu Wang

Flamelet models are widely used in computational fluid dynamics to simulate thermochemical processes in turbulent combustion. These models typically employ memory-expensive lookup tables that are predetermined and represent the combustion…

Machine Learning · Computer Science 2023-08-07 Franz M. Rohrhofer , Stefan Posch , Clemens Gößnitzer , José M. García-Oliver , Bernhard C. Geiger

A method which casts the chemical source term computation into an artificial neural network (ANN)-inspired form is presented. This approach is well-suited for use on emerging supercomputing platforms that rely on graphical processing units…

Chemical Physics · Physics 2021-05-11 Shivam Barwey , Venkat Raman

Methane is considered being a good choice as a propellant for future reusable launch systems. However, the heat transfer prediction for supercritical methane flowing in cooling channels of a regeneratively cooled combustion chamber is…

Machine Learning · Computer Science 2020-02-07 Günther Waxenegger-Wilfing , Kai Dresia , Jan Christian Deeken , Michael Oschwald

Artificial neural network (ANN) is tested as a tool for finding a new subgrid model of the subgrid-scale (SGS) stress in large-eddy simulation. ANN is used to establish a functional relation between the grid-scale (GS) flow field and the…

Fluid Dynamics · Physics 2017-05-10 Masataka Gamahara , Yuji Hattori

One of the most common and universal problems in science is to investigate a function. The prediction can be made by an Artificial Neural Network (ANN) or a mathematical model. Both approaches have their advantages and disadvantages.…

Neural and Evolutionary Computing · Computer Science 2022-02-22 Szymon Buchaniec , Marek Gnatowski , Grzegorz Brus

Artificial neural networks (ANNs) are at the core of most Deep learning (DL) algorithms that successfully tackle complex problems like image recognition, autonomous driving, and natural language processing. However, unlike biological brains…

Neural and Evolutionary Computing · Computer Science 2024-09-16 Spyridon Chavlis , Panayiota Poirazi

To effectively simulate the combustion of hydrocarbon-fueled supersonic engines, such as rocket-based combined cycle (RBCC) engines, a detailed mechanism for chemistry is usually required but computationally prohibitive. In order to…

Fluid Dynamics · Physics 2020-03-03 Jian An , Guo Qiang He , Kai Hong Luo , Fei Qin , Bing Liu

In this study, the thermochemical state during turbulent flame-wall interaction of a stoichiometric methane-air flame is investigated using a fully resolved simulation with detailed chemistry. The turbulent side-wall quenching flame shows…

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