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Modeling of turbulent combustion system requires modeling the underlying chemistry and the turbulent flow. Solving both systems simultaneously is computationally prohibitive. Instead, given the difference in scales at which the two…

Machine Learning · Computer Science 2022-02-22 Amol Salunkhe , Dwyer Deighan , Paul DesJardin , Varun Chandola

Modeling of turbulent combustion system requires modeling the underlying chemistry and the turbulent flow. Solving both systems simultaneously is computationally prohibitive. Instead, given the difference in scales at which the two…

Machine Learning · Computer Science 2022-11-14 Amol Salunkhe , Dwyer Deighan , Paul Desjardin , Varun Chandola

A turbulent side-wall quenching (SWQ) flame in a fully developed channel flow is studied using Large-Eddy Simulation (LES) with a tabulated chemistry approach. Three different flamelet manifolds with increasing levels of complexity are…

Fluid Dynamics · Physics 2023-08-16 Yujuan Luo , Matthias Steinhausen , Driss Kaddar , Christian Hasse , Federica Ferraro

In the application of the combustion models based on low-dimensional manifolds (for instance flamelet models) to large-eddy simulation (LES) of reactive turbulent flows, the modeling simplifications of the combustion process is a critical…

Fluid Dynamics · Physics 2017-12-05 Hao Wu , Peter C. Ma , Thomas Jaravel , Matthias Ihme

Prediction of complete step-by-step chemical reaction mechanisms (CRMs) remains a major challenge. Whereas the traditional approaches in CRM tasks rely on expert-driven experiments or costly quantum chemical computations, contemporary deep…

Chemical Physics · Physics 2025-12-11 Manajit Das , Ajnabiul Hoque , Mayank Baranwal , Raghavan B. Sunoj

Tabulated chemistry methods are a well-known strategy to efficiently store the flows thermochemical properties. In particular, the Flamelet-Generated Manifold (FGM) is a widely used technique that generates the database with a small number…

Fluid Dynamics · Physics 2024-11-21 Alessandro Ballatore , Diego Quan Reyes , Hesheng Bao , Jeroen van Oijen

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

The Targeted Free Energy Perturbation (TFEP) method aims to overcome the time-consuming and computer-intensive stratification process of standard methods for estimating the free energy difference between two states. To achieve this, TFEP…

Chemical Physics · Physics 2023-02-24 Soo Jung Lee , Amr H. Mahmoud , Markus A. Lill

Refractory multi-principal element alloys (RMPEAs) represent a novel class of alloys characterized by an extensive compositional design space and the potential for exceptional mechanical performance under extreme conditions. While accurate…

Materials Science · Physics 2026-04-21 A. K. Shargh , C. D. Stiles , J. A. El-Awady

This work presents a numerical study of a diffusion flame in a reacting, two-dimensional, turbulent, viscous, multi-component, compressible mixing layer subject to a large favorable streamwise pressure gradient. The boundary-layer equations…

Fluid Dynamics · Physics 2026-04-01 Sylvain L. Walsh , Lei Zhan , Carsten Mehring , Feng Liu , William A. Sirignano

This study, for the first time, investigates the use of tensor trains (TTs) to represent high-dimensional unsteady flamelet progress variable (UFPV) manifolds in chemically reacting computational fluid dynamics (CFD). The UFPV framework…

Computational Physics · Physics 2026-03-25 Sinan Demir , Pierson Guthrey , Jason Burmark , Matthew Blomquist , Brian T. Bojkod , Ryan F. Johnson

Numerical modeling of turbulent spray combustion provides a promising tool for advanced engine design. In spray flames, the droplet evaporation not only reduces the ambient gas temperature, but also influences flame structure by generating…

Fluid Dynamics · Physics 2025-07-03 Dong Wang , Min Zhang , Ruixin Yang , Zhi X. Chen

This study explores the integration of machine learning (ML) techniques with large eddy simulation (LES) for predicting species mass fraction and flame characteristics in partially premixed turbulent jet flames. The LES simulations,…

Fluid Dynamics · Physics 2025-05-05 Amirali Shateri , Zhiyin Yang , Jianfei Xie

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

In chemistry tabulations and Flamelet combustion models, the Flamelet Generated Manifold (FGM) is recognized for its precision and physical representation. The practical implementation of FGM requires a significant allocation of memory…

Machine Learning · Computer Science 2025-07-03 Reza Lotfi Navaei , Mohammad Safarzadeh , Seyed Mohammad Jafar Sobhani

In recent years, climate extremes such as floods have created significant environmental and economic hazards for Australia. Deep learning methods have been promising for predicting extreme climate events; however, large flooding events…

Machine Learning · Computer Science 2025-02-12 Rohitash Chandra , Arpit Kapoor , Siddharth Khedkar , Jim Ng , R. Willem Vervoort

This study presents a systematic analysis of the capabilities of a flamelet model based on Flamelet Generated Manifolds (FGM) to reproduce preferential diffusion effects in partially premixed hydrogen flames. Detailed transport effects are…

Fluid Dynamics · Physics 2023-12-05 Eduardo Javier Pérez-Sánchez , Emiliano Manuel Fortes , Daniel Mira

The article investigates liquid oxygen (LOx)-methane supercritical combustion dynamics in a multi-element rocket scale combustor using large eddy simulation (LES). A complex framework of real gas thermodynamics and flamelet generated…

Fluid Dynamics · Physics 2023-11-28 Abhishek Sharma , Ashoke De , S. Sunil Kumar

This study presents a comprehensive a priori analysis of tabulated-chemistry models for both laminar and turbulent lean premixed hydrogen flames in strained counterflow configuration. Particular focus is drawn on differential and…

The tunability of the mechanical properties of refractory multi-principal-element alloys (RMPEAs) make them attractive for numerous high-temperature applications. It is well-established that the phase stability of RMPEAs control their…

Materials Science · Physics 2024-08-13 A. K. Shargh , C. D. Stiles , J. A. El-Awady
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