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Liquid ammonia combustion can be enhanced by co-firing with small molecular fuels such as methane, and liquid ammonia will undergo flash evaporation due to its relatively low saturation pressure. These characteristics, involving the…

Fluid Dynamics · Physics 2024-09-23 Zhenhua An , Jiangkuan Xing , Abhishek Lakshman Pillai , Ryoichi Kurose

We propose FMEnets, a physics-informed machine learning framework for the design and analysis of non-ideal plug flow reactors. FMEnets integrates the fundamental governing equations (Navier-Stokes for fluid flow, material balance for…

The study of the rare transitions that take place between long lived metastable states is a major challenge in molecular dynamics simulations. Many of the methods suggested to address this problem rely on the identification of the slow…

Chemical Physics · Physics 2023-06-07 Dhiman Ray , Enrico Trizio , Michele Parrinello

The high cost of high-resolution computational fluid/flame dynamics (CFD) has hindered its application in combustion related design, research and optimization. In this study, we propose a new framework for turbulent combustion simulation…

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

Large-eddy simulations (LES) of a planar turbulent lean hydrogen-air jet flame at Re = 11000 are performed using a tabulated flamelet model based on mixture-averaged diffusion that incorporates detailed transport, including differential and…

Flamelet-based methods are extensively used in modeling turbulent hydrocarbon flames. However, these models have yet to be established for (lean) premixed hydrogen flames. While flamelet models exist for laminar thermo-diffusively unstable…

Gaining insights into flame behaviour at small scales can lead to improvements in the efficiency of micro-reactors, compact power generation systems, fire safety technologies, and various other applications where combustion is confined to…

Fluid Dynamics · Physics 2026-02-24 M Ashwin Ganesh , Akhil Aravind , Balasundaram Mohan , Saptarshi Basu

In this paper, neural network (NN)-based models are generated to replace flamelet tables for sub-grid modeling in large-eddy simulations of a single-injector liquid-propellant rocket engine. In the most accurate case, separate NNs for each…

Fluid Dynamics · Physics 2020-12-03 Zeinab Shadram , Tuan M. Nguyen , Athanasios Sideris , William A. Sirignano

Accurate prediction of the physicochemical properties of molecular mixtures using graph neural networks remains a significant challenge, as it requires simultaneous embedding of intramolecular interactions while accounting for mixture…

Chemical Physics · Physics 2026-03-04 Jinming Fan , Chao Qian , Wilhelm T. S. Huck , William E. Robinson , Shaodong Zhou

The combustion instability is investigated computationally for a multi-injector rocket engine using the flamelet progress variable (FPV) model. A C++ code is developed based on OpenFOAM 4.0 to apply the combustion model. Flamelet tables are…

Fluid Dynamics · Physics 2021-09-03 Lei Zhan , Tuan M. Nguyen , Juntao Xiong , Feng Liu , William A. Sirignano

Temperature is a fundamental regulator of chemical and biochemical kinetics, yet capturing nonlinear thermal effects directly from experimental data remains a major challenge due to limited throughput and model flexibility. Recent advances…

Quantitative Methods · Quantitative Biology 2025-12-23 Mamoru Saita , Yutaka Hori

Background. Wildfire research uses ensemble methods to analyze fire behaviors and assess uncertainties. Nonetheless, current research methods are either confined to simple models or complex simulations with limits. Modern computing tools…

Computational Physics · Physics 2024-11-01 Qing Wang , Matthias Ihme , Cenk Gazen , Yi-Fan Chen , John Anderson

Deep generative models (DGMs) can generate synthetic data samples that closely resemble the original dataset, addressing data scarcity. In this work, we developed a conditional variational autoencoder (CVAE) to augment critical heat flux…

Machine Learning · Computer Science 2025-02-25 Farah Alsafadi , Aidan Furlong , Xu Wu

A purely data-driven approach using deep convolutional neural networks is discussed in the context of Large Eddy Simulation (LES) of turbulent premixed flames. The assessment of the method is conducted a priori using direct numerical…

Fluid Dynamics · Physics 2018-10-22 Zacharias M. Nikolaou , Charalambos Chrysostomou , Luc Vervisch , Stewart Cant

This paper deals with the asymptotic behavior and FEM error analysis of a class of strongly damped wave equations using a semidiscrete finite element method in spatial directions combined with a finite difference scheme in the time…

Numerical Analysis · Mathematics 2025-11-03 Krishan Kumar , P. Danumjaya , Anil Kumar , Amiya K. Pani

In high-speed flow past a normal shock, the fluid temperature rises rapidly triggering downstream chemical dissociation reactions. The chemical changes lead to appreciable changes in fluid properties, and these coupled multiphysics and the…

Computational Physics · Physics 2021-10-04 Zhiping Mao , Lu Lu , Olaf Marxen , Tamer A. Zaki , George E. Karniadakis

In this work, we introduce DeepFlame, an open-source C++ platform with the capabilities of utilising machine learning algorithms and pre-trained models to solve for reactive flows. We combine the individual strengths of the computational…

Fluid Dynamics · Physics 2023-07-17 Runze Mao , Minqi Lin , Yan Zhang , Tianhan Zhang , Zhi-Qin John Xu , Zhi X. Chen

A combustion chemistry acceleration scheme is developed based on deep operator networks (DeepONets). The scheme is based on the identification of combustion reaction dynamics through a modified DeepOnet architecture such that the solutions…

Chemical Physics · Physics 2023-04-25 Anuj Kumar , Tarek Echekki

In this paper, we provide a graphic formulation of non-isothermal reaction systems and show that a non-isothermal detailed balanced network system converges (locally) asymptotically to the unique equilibrium within the invariant manifold…

Dynamical Systems · Mathematics 2020-10-01 Zhou Fang , Arjan van der Schaft , Chuanhou Gao

In this work, we demonstrate a framework for developing closure models in turbulent combustion using experimental multi-scalar measurements. The framework is based on the construction of conditional means and joint scalar PDFs from…

Fluid Dynamics · Physics 2019-09-10 Rishikesh Ranade , Tarek Echekki