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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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…