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Hong G. Im

Publications and source records attributed to Hong G. Im.

13 recordsLinked to original sources

Towards Rapid Prototyping of Spray Injectors: A Regime-Agnostic Neural Operator Surrogate for Gas-Liquid Interface Evolution

Spray atomisation rapidly creates large liquid-gas interfacial areas and is central to many industrial processes. However, predicting spray behaviour and surface area remains difficult: experiments cannot access all spray regions, while CFD becomes prohibitively expensive as finer structures develop. Data driven surrogates can learn interface evolution, enabling rapid design space exploration, operating condition ranking, and ultimately spray control. We investigate how state representation, neural architecture, and physics-informed regularisation affect long horizon autoregressive forecasting of spray interfaces, particularly conservation. Our principal model is a boundary-conditioned Fourier Neural Operator (FNO) that predicts the evolution of the signed distance function (SDF) from the liquid-gas interface. It is trained on 2D sharp interface Volume-of-Fluid CFD simulations spanning several atomisation regimes. The SDF-FNO retains interface fidelity better than an FNO trained directly on volume fraction, but is outperformed by a U-Net. Objective function ablation shows that a liquid inventory penalty improves conservation at a modest cost to local interface accuracy. We also introduce a physics-informed extension combining an open-domain target-increment liquid balance penalty, a narrowband Eikonal regulariser that preserves signed distance geometry, and a phase-boundedness penalty. Although this model trains stably, it leaves forecast error, interface overlap, and inventory behaviour essentially unchanged relative to the data driven baseline. Finally, we demonstrate the surrogate by ranking injection conditions according to interfacial area generated per unit gas injection power across the operating envelope of a fixed geometry.

physics.flu-dyn

A convolutional autoencoder and neural ODE surrogate modeling framework applied to transient counterflow flames

A novel convolutional autoencoder and neural ODE (CAE-NODE) framework is proposed for a reduced-order model (ROM) applied to transient 2D counterflow flames, as an extension of AE-NODE methods in homogeneous reactive systems to spatially resolved flows. The multidimensional thermochemical fields (256 x 256 grid, 21 variables) obtained from direct numerical simulations (DNS) are used in training the CAE, where convolutional layers learned the underlying spatial correlations, allowing the CAE to construct an unsupervised 3D latent manifold that is physically meaningful, smooth, and continuous in time. This results in a compression ratio of over 400,000 times. The NODE then subsequently learns the continuous-time dynamics on the latent manifold, enabling the prediction of the full temporal evolution of the flames by integrating forward in time from an initial condition. The results demonstrate that the CAE-NODE can accurately capture the entire transient process, including ignition, flame propagation, and the gradual transition to a non-premixed condition, with excellent agreement with the DNS, while adhering to conservation principles at virtually no computational cost compared to the reference DNS. Predictions remain accurate at strain rates outside the training range. Moreover, despite being unsupervised, the learned latent manifold is highly correlated with the flame-state descriptors such as the progress variable, mixture fraction, and the scalar dissipation rate. This study, for the first time, highlights the potential of CAE-NODE for surrogate modeling of unsteady dynamics of multi-dimensional reacting flows.

physics.flu-dyn

A unified fluid model for nonthermal plasmas and reacting flows

This work presents a unified fluid modeling framework for reacting flows coupled with nonthermal plasmas (NTPs). Building upon the gas-plasma kinetics solver, ChemPlasKin, and the CFD library, OpenFOAM, the integrated solver, reactPlasFOAM, allows simulation of fully coupled plasma-combustion systems with versatility and high performance. By simplifying the governing equations according to the dominant physical phenomena at each stage, the solver seamlessly switches between four operating modes: streamer, spark, reacting flow, and ionic wind, using coherent data structures. Unlike conventional streamer solvers that rely on pre-tabulated or fitted electron transport properties and reaction rates as functions of the reduced electric field or electron temperature, our approach solves the electron Boltzmann equation (EBE) on the fly to update the electron energy distribution function (EEDF) at the cell level. This enables a high-fidelity representation of evolving plasma chemistry and dynamics by capturing temporal and spatial variations in mixture composition and temperature. To improve computational efficiency for this multiscale, multiphysics system, we employ adaptive mesh refinement (AMR) in the plasma channel, dynamic load balancing for parallelization, and time-step subcycling for fast and slow transport processes. The solver is first verified against six established plasma codes for positive-streamer simulations and benchmarked against Cantera for a freely propagating hydrogen flame, then applied to three cases: (1) spark discharge in airflow; (2) streamer propagation in a premixed flame; and (3) flame dynamics under non-breakdown electric fields. These applications validate the model's ability to predict NTP properties such as fast heating and radical production and demonstrate its potential to reveal two-way coupling between plasma and combustion.

physics.comp-ph

Accelerated Integration of Stiff Reactive Systems Using Gradient-Informed Autoencoder and Neural Ordinary Differential Equation

A combined autoencoder (AE) and neural ordinary differential equation (NODE) framework has been used as a data-driven reduced-order model for time integration of a stiff reacting system. In this study, a new loss term using a latent variable gradient is proposed, and its impact on model performance is analyzed in terms of robustness, accuracy, and computational efficiency. A data set was generated by a chemical reacting solver, Cantera, for the ignition of homogeneous hydrogen-air and ammonia/hydrogen-air mixtures in homogeneous constant pressure reactors over a range of initial temperatures and equivalence ratios. The AE-NODE network was trained with the data set using two different loss functions based on the latent variable mapping and the latent gradient. The results show that the model trained using the latent gradient loss significantly improves the predictions at conditions outside the range of the trained data. The study demonstrates the importance of incorporating time derivatives in the loss function. Upon proper design of the latent space and training method, the AE+NODE architecture is found to predict the reaction dynamics at high fidelity at substantially reduced computational cost by the reduction of the dimensionality and temporal stiffness.

physics.comp-ph

Understanding the role of autoencoders for stiff dynamical systems using information theory

Using the information theory, this study provides insights into how the construction of latent space of autoencoder (AE) using deep neural network (DNN) training finds a smooth low-dimensional manifold in the stiff dynamical system. Our recent study [1] reported that an autoencoder (AE) combined with neural ODE (NODE) as a surrogate reduced order model (ROM) for the integration of stiff chemically reacting systems led to a significant reduction in the temporal stiffness, and the behavior was attributed to the identification of a slow invariant manifold by the nonlinear projection of the AE. The present work offers fundamental understanding of the mechanism by employing concepts from information theory and better mixing. The learning mechanism of both the encoder and decoder are explained by plotting the evolution of mutual information and identifying two different phases. Subsequently, the density distribution is plotted for the physical and latent variables, which shows the transformation of the \emph{rare event} in the physical space to a \emph{highly likely} (more probable) event in the latent space provided by the nonlinear autoencoder. Finally, the nonlinear transformation leading to density redistribution is explained using concepts from information theory and probability.

cs.LG

How "mixing" affects propagation and structure of intensely turbulent, lean, hydrogen-air premixed flames

Understanding how intrinsically fast hydrogen-air premixed flames can be rendered much faster in turbulence is crucial for systematically developing hydrogen-based gas turbines and spark ignition engines. Here, we present fundamental insights into the variation of flame displacement speeds by investigating how the disrupted flame structure affects speed and vice-versa. Three DNS cases of lean hydrogen-air mixtures with $Le$ from 0.5 to 1 and $Ka$ from 100 to 1000 are analyzed. Suitable comparisons are made with the closest canonical laminar flame configurations at same mixture conditions and their suitability and limitations in expounding turbulent flame properties are elucidated. Since near zero-curvature surface locations are most probable and representative of the average flame geometry in such large $Ka$ flames, this study focuses on the statistical variation of flame displacement speed and the concomitant change in flame structure at those locations. Relevant flame properties are averaged normal to the zero-curvature isotherm regions to obtain the conditional mean flame structures. In the smallest $Le$ case, downstream of the most probable zero-curvature regions, the temperature exceeds that of the standard laminar flame, leading to enhanced local thermal gradient and flame speed. This is due to increased heat-release rate contribution by differential diffusion in positive curvatures downstream of the zero-curvature locations. Furthermore, locally, the flame structure is broadened for all cases due to a reversal in the direction of the flame speed gradient. This reversal is caused by cylindrical flame-flame interactions upstream of the zero-curvature regions, resulting in localized scalar mixing within the flame structure. These non-local effects, in combination, define the mean flame structure and the associated variation in local flame speed in turbulent premixed flames.

physics.flu-dyn

ChemPlasKin: a general-purpose program for unified gas and plasma kinetics simulations

This work introduces ChemPlasKin, a freely accessible solver optimized for zero-dimensional (0D) simulations of chemical kinetics of neutral gas in non-equilibrium plasma environments. By integrating the electron Boltzmann equation solver, CppBOLOS, with the open-source combustion library, Cantera, at the source code level, ChemPlasKin computes time-resolved evolution of species concentration and gas temperature in a unified gas-plasma kinetics framework. The model allows high fidelity predictions of both chemical thermal effects and plasma-induced heating, including fast gas heating and slower vibrational-translational relaxation processes. Additionally, a new heat loss model is developed for nanosecond pulsed discharges, specifically within pin-pin electrode configurations. With its versatility, ChemPlasKin is well-suited for a wide range of applications, from plasma-assisted combustion (PAC) to fuel reforming. In this paper, the reliability, accuracy and efficiency of ChemPlasKin are validated through a number of test problems, demonstrating its utility in advancing gas-plasma kinetic studies.

physics.plasm-ph

On flame speed enhancement in turbulent premixed hydrogen-air flames during local flame-flame interaction

Given the need to develop zero-carbon combustors for power and aircraft engine applications, $S_d$ of a turbulent premixed flame, especially for H$_2$-air, is of immediate interest. The present study investigates 3D DNS cases of premixed H$_2$-air turbulent flames at varied pressures for different $Re_t$ and $Ka$ with detailed chemistry to theoretically model $S_d$ at negative curvatures. Prior studies at atmospheric pressure showed $\widetilde{S_d}$ to be enhanced significantly over $S_L$ at large negative $κ$ due to flame-flame interactions. 1D simulations of an imploding cylindrical H$_2$-air laminar premixed flame used to represent the local flame surfaces undergoing flame-flame interaction in a turbulent flame at the corresponding pressure conditions are performed to understand the interaction dynamics. These simulations emphasized the transient nature of the flame structure during flame-flame interactions and enabled analytical modeling of $\widetilde{S_d}$ at these regions of extreme negative $κ$ of the 3D DNS. The JPDF of $\widetilde{S_d}$ and $κ$ and the corresponding conditional averages from 3D DNS showed a negative correlation between $\widetilde{S_d}$ and $κ$. The model successfully predicts the variation of $\langle\widetilde{S_d}|_κ\rangle$ with $κ$ for the regions on the flame surface with $κδ_L \! \ll \! -1$ at all pressures, with good accuracy. This shows the aforementioned configuration to be fruitful in representing local flame-flame interaction in 3D turbulent flames. Moreover, at $κ=0$, on average $\widetilde{S_d}$ can deviate from $S_L$, manifested by the internal flame structure, controlled by turbulence transport in the large $Ka$ regime. Thus, the correlation of $\langle\widetilde{S_d}\rangle/S_L$ with $\langle|\widehat{\nabla c}|_{c_0}\rangle$ at $κ=0$ is explored.

physics.flu-dyn

Mechanism of Cold-spot Autoignition in a Hydrogen/Air Mixture

When designing high-efficiency spark-ignition (SI) engines to operate at high compression ratios, one of the main issues that have to be addressed is detonation development from a pre-ignition front. In order to control this phenomenon, it is necessary to understand the mechanism by which the detonation is initiated. The development of a detonation from a pre-ignition front was analyzed by considering a one-dimensional constant-volume stoichiometric hydrogen/air reactor with detailed chemistry. A spatially linear initial temperature profile near the end-wall was employed, in order to account for the thermal stratification of the bulk mixture. A flame was initiated near the left wall and the effects of its propagation towards the cold end-wall were analyzed. Attention was given on the autoignition that is manifested within the cold-spot ahead of the flame and far from the end-wall, which is followed by detonation. Using CSP tools, the mechanism by which the generated pressure waves influence the autoignition within the cold-spot was investigated. It is found that the pressure oscillations induced by the reflected pressure waves and the pressure waves generated by the pre-ignition front tend to synchronize in the chamber, increasing the reactivity of the system in a periodic manner. The average of the oscillating temperature is greater in the cold-spot, compared to all other points ahead of the flame. As a result, the rate constants of the most important reactions are larger there, leading to a more reactive state that accelerates the dynamics of the cold-spot and to its autoignition.

physics.chem-ph

Local flame displacement speeds of hydrogen-air premixed flames in moderate to intense turbulence

Comprehensive knowledge of local flame displacement speed, $S_d$, in turbulent premixed flames is crucial towards the design and development of hydrogen fuelled next-generation engines. Premixed hydrogen-air flames are characterized by significantly higher laminar flame speed compared to other conventional fuels. Furthermore, in the presence of turbulence, $S_d$ is enhanced much beyond its corresponding unstretched, planar laminar value $S_L$. In this study, the effect of high Karlovitz number ($Ka$) turbulence on density-weighted flame displacement speed, $\widetilde{S_d}$, in a H$_2$-air flame is investigated. Recently, it has been identified that flame-flame interactions in regions of large negative curvature govern large deviations of $\widetilde{S_d}$ from $S_L$, for moderately turbulent flames. An interaction model for the same has also been proposed. In this work, we seek to test the interaction model's applicability to intensely turbulent flames characterized by large $Ka$. To that end, we investigate the local flame structures: thermal, chemical structure, the effect of curvature, along the direction that is normal to the chosen isothermal surfaces. Furthermore, relative contributions of the transport and chemistry terms to $\widetilde{S_d}$ are also analyzed. It is found that, unlike the moderately turbulent premixed flames, where enhanced $\widetilde{S_d}$ is driven by interactions among complete flame structures, $\widetilde{S_d}$ enhancement in high $Re_t$ and high $Ka$ flame is predominantly governed by local interactions of the isotherms. It is found that enhancement in $\widetilde{S_d}$ in regions of large negative curvature occurs as a result of these interactions, evincing that the interaction model is useful for high $Ka$ turbulent premixed flames as well.

physics.flu-dyn

A Sub-grid Scale Energy Dissipation Rate Model for Large-eddy Spray Simulations

In high Reynolds number turbulent flows, energy dissipation refers to the process of energy transfer from kinetic energy to internal energy due to molecular viscosity. In large eddy simulation (LES) with one-equation turbulence models, the energy dissipation process is modeled by a rate term in the transport equation of the subgrid-scale (SGS) kinetic energy. Despite its important role in maintaining a proper energy balance between the resolved and SGS scales, modeling of the energy dissipation rate has received scarce attention. In this paper, a SGS model belonging to the dynamic structure family is developed based on findings from direct numerical simulation (DNS) studies of decaying isotropic turbulence. The model utilizes a Leonard-type term, a SGS viscosity, and a characteristic scaling term to predict the energy dissipation rate in LES. A posteriori tests of the model have been carried out under direct-injection gasoline and diesel engine-like conditions. Spray characteristics such as penetration rates and mixture fractions have been examined. It is found that the current SGS model accurately predicts vapor-phase penetrations across different mesh resolutions under both gasoline and diesel spray conditions, due to its correct scaling of SGS energy dissipation rate with the SGS kinetic energy and LES fitter width. In contrast, the classic model that is widely used in the literature predicts a scaling of energy dissipation rate upon mesh resolution, exhibiting a noticeable mesh dependence.

physics.flu-dyn

The i-V curve curve characteristics of burner-stabilized premixed flames: detailed and reduced models

The i-V curve describes the current drawn from a flame as a function of the voltage difference applied across the reaction zone. Since combustion diagnostics and flame control strategies based on electric fields depend on the amount of current drawn from flames, there is significant interest in modeling and understanding i-V curves. We implement and apply a detailed model for the simulation of the production and transport of ions and electrons in one dimensional premixed flames. An analytical reduced model is developed based on the detailed one, and analytical expressions are used to gain insight into the characteristics of the i-V curve for various flame configurations. In order for the reduced model to capture the spatial distribution of the electric field accurately, the concept of a dead zone region, where voltage is constant, is introduced, and a suitable closure for the spatial extent of the dead zone is proposed and validated. The results from the reduced modeling framework are found to be in good agreement with those from the detailed simulations. The saturation voltage is found to depend significantly on the flame location relative to the electrodes, and on the sign of the voltage difference applied. Furthermore, at sub-saturation conditions, the current is shown to increase linearly or quadratically with the applied voltage, depending on the flame location. These limiting behaviors exhibited by the reduced model elucidate the features of i-V curves observed experimentally. The reduced model relies on the existence of a thin layer where charges are produced, corresponding to the reaction zone of a flame. Consequently, the analytical model we propose is not limited to the study of premixed flames, and may be applied easily to others configurations, e.g. nonpremixed counterflow flames.

physics.chem-ph

Modeling of scalar dissipation rates in flamelet models for low temperature combustion engine simulations

The flamelet approach offers a viable framework for combustion modeling of homogeneous charge compression ignition (HCCI) engines under stratified mixture conditions. Scalar dissipation rate acts as a key parameter in flamelet-based combustion models which connects the physical mixing space to the reactive space. The aim of this paper is to gain fundamental insights into turbulent mixing in low temperature combustion (LTC) engines and investigate the modeling of scalar dissipation rate. Three direct numerical simulation (DNS) test cases of two-dimensional turbulent auto-ignition of a hydrogen-air mixture with different correlations of temperature and mixture fraction are considered, which are representative of different ignition regimes. The existing models of mean and conditional scalar dissipation rates, and probability density functions (PDFs) of mixture fraction and total enthalpy are a priori validated against the DNS data.

physics.flu-dyn