4.7 Article

Subgrid-scale backscatter in reacting and inert supersonic hydrogen-air turbulent mixing layers

Journal

JOURNAL OF FLUID MECHANICS
Volume 743, Issue -, Pages 554-584

Publisher

CAMBRIDGE UNIV PRESS
DOI: 10.1017/jfm.2014.62

Keywords

high-speed flows; shear layers; turbulent reacting flows

Funding

  1. Predictive-Science Academic-Alliance Program (PSAAP)
  2. DoE [DEFC52-08NA28614]
  3. AFOSR [FA9550-11-1-0031]
  4. Postdoctoral Fellowship for Excellence in Research, Ibercaja Foundation (Zaragoza, Spain)

Ask authors/readers for more resources

This study addresses the dynamics of backscatter of kinetic energy in the context of large-eddy simulations (LES) of high-speed turbulent reacting flows. A priori analyses of direct numerical simulations (DNS) of reacting and inert supersonic, time-developing, hydrogen-air turbulent mixing layers with complex chemistry and multicomponent diffusion are conducted here in order to examine the effects of compressibility and combustion on subgrid-scale (SGS) backscatter of kinetic energy. The main characteristics of the aerothermochemical field in the mixing layer are outlined. A selfsimilar period is identified in which some of the turbulent quantities grow in a quasi-linear manner. A differential filter is applied to the DNS flow field to extract filtered quantities of relevance for the large-scale kinetic-energy budget. Spatiotemporal analyses of the flow-field statistics in the selfsimilar regime are performed, which reveal the presence of considerable amounts of SGS backscatter. The dilatation field becomes spatially intermittent as a result of the high-speed compressibility effect. In addition, the large-scale pressure-dilatation work is observed to be an essential mechanism for the local conversion of thermal and kinetic energies. A joint probability density function (PDF) of SGS dissipation and large-scale pressure-dilatation work is provided, which shows that backscatter occurs primarily in regions undergoing volumetric expansion; this implies the existence of an underlying physical mechanism that enhances the reverse energy cascade. Furthermore, effects of SGS backscatter on the Boussinesq eddy viscosity are studied, and a regime diagram demonstrating the relationship between the different energy-conversion modes and the sign of the eddy viscosity is provided along with a detailed budget of the volume fraction in each mode. A joint PDF of SGS dissipation and SGS dynamic-pressure dilatation work is calculated, which shows that high-speed compressibility effects lead to a decorrelation between SGS backscatter and negative eddy viscosities, which increases for increasingly large values of the SGS Mach number and filter width. Finally, it is found that the combustion dynamics have a marginal impact on the backscatter and flow-dilatation distributions, which are mainly dominated by the high-Mach-number effects.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Thermodynamics

Interaction of preferential evaporation and low-temperature chemistry in multicomponent counterflow spray flames

Matthew Bonanni, Matthias Ihme

Summary: This study investigates the effects of preferential evaporation on the combustion behavior of multi-component spray flames. It is found that the preferential evaporation of more volatile components leads to changes in gas-phase composition and affects the combustion performance and reaction zones. Therefore, considering preferential evaporation behavior is necessary when constructing models for multi-component spray combustion.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2023)

Article Thermodynamics

LES of HCCI combustion of iso-octane/air in a flat-piston rapid compression machine

Wai Tong Chung, Nguyen Ly, Matthias Ihme

Summary: This study assesses the utility of large eddy simulations (LES) for predicting HCCI combustion in a 3-D configuration. The simulation results show reasonable agreement with experimental data in terms of temperature fluctuations and ignition delay, and the predicted flame propagation modes also match the experimental observations. The findings demonstrate the practicality of FRC-LES for investigating multimode combustion regimes of HCCI combustion.

PROCEEDINGS OF THE COMBUSTION INSTITUTE (2023)

Article Energy & Fuels

Regimes of evaporation and mixing behaviors of nanodroplets at transcritical conditions

Nguyen Ly, Arijit Majumdar, Matthias Ihme

Summary: The objective of this paper is to examine the fundamental mechanisms responsible for the transition between subcritical evaporation and supercritical dense-fluid-mixing in the absence of convection effects, specifically focusing on the liquid-vapor interfacial dynamics. The study characterizes the different physical behaviors exhibited by an n-dodecane nanoscale droplet placed in different nitrogen ambient conditions across the fuel's critical point and explores the underlying phase-exchange mechanisms. The findings show four regimes of evaporation/mixing behaviors and the distinction in the phase-exchange mechanisms in these four regimes are brought about by the different thermodynamic phases the droplet center can exhibit during the evaporation/mixing process.
Article Thermodynamics

Analysis of ducted fuel injection at high-pressure transcritical conditions using large-eddy simulations

Jack Guo, Davy Brouzet, Wai Tong Chung, Matthias Ihme

Summary: Ducted fuel injection (DFI) is a proposed concept for reducing emissions by improving fuel-air mixing and reducing the formation of soot and other unwanted combustion products. This study uses large-eddy simulations to investigate the physical mechanisms and combustion processes of DFI, with a focus on the mixing process and the impact of fuel-ducting on combustion and pollutant emissions.

INTERNATIONAL JOURNAL OF ENGINE RESEARCH (2023)

Article Chemistry, Physical

The Local Electronic Structure of Supercritical CO2 from X-ray Raman Spectroscopy and Atomistic-Scale Modeling

Priyanka Muhunthan, Oscar Paredes Mellone, Thomas Kroll, Dimosthenis Sokaras, Matthias Ihme

Summary: This study combines X-ray Raman spectroscopy, molecular dynamics simulations, and density functional theory calculations to characterize the local electronic structure of supercritical CO2. It finds that X-ray Raman spectroscopy is a sensitive tool for studying the electronic properties of CO2 under challenging experimental conditions and provides unique insights into the electronic structure of supercritical fluids.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2023)

Article Multidisciplinary Sciences

Supercritical fluids behave as complex networks

Filip Simeski, Matthias Ihme

Summary: Supercritical fluids, which have important implications in various scientific and engineering applications, exhibit complex network dynamics associated with localized molecular clusters. This structural and dynamical behavior can be accurately described by a hidden-variable network model, providing a basis to relate fluid microstructure to thermodynamic response functions.

NATURE COMMUNICATIONS (2023)

Article Physics, Fluids & Plasmas

Analysis of real-fluid thermodynamic effects on turbulent statistics in transcritical channel flows

Fangbo Li, Jack Guo, Bofeng Bai, Matthias Ihme

Summary: In this study, the authors analyze the turbulent energy transport in high-pressure transcritical flows and propose scaling laws for the turbulent length scales and turbulent kinetic energy budgets. The results show that the dissipation rate of turbulent kinetic energy is dominated by the enstrophy in the logarithmic layer and that the fluctuating viscosity attenuates the dissipation rate by reducing the shear strain and the enstrophy production. Real-fluid thermodynamic effects significantly change the turbulent heat flux and alter the density-fluctuation-related momentum-fluctuation statistics.

PHYSICAL REVIEW FLUIDS (2023)

Article Thermodynamics

Assessing requirements for modeling radiation in diffusion flames using an analytical, non-local model

Guilherme C. Fraga, Bifen Wu, Matthias Ihme, Xinyu Zhao

Summary: This article presents an analytical approach for calculating radiative self-absorption in flames, aiming to provide an effective and computationally inexpensive tool for selecting radiation models in combustion applications. The one-dimensional non-local model approximates the flame structure as an infinitely long cylinder with properties varying only along the radial direction. The model is validated for different flame types and applied to study the radiation characteristics in high-pressure combustion, fire suppression, and hydrogen combustion.

COMBUSTION AND FLAME (2023)

Article Thermodynamics

Improving volume-averaged simulations of matrix-stabilized combustion through direct X-ray μCT characterization: Application to NH3 /H2-air combustion

Thorsten Zirwes, Guillaume Vignat, Edna R. Toro, Emeric Boigne, Khaled Younes, Dimosthenis Trimis, Matthias Ihme

Summary: Porous media combustion relies on internal heat recirculation to enhance flame speed. However, the accuracy of volume-averaged simulations is controversial. In this study, an open-source modeling framework is proposed to accurately simulate PMC using first-principles methods and X-ray computed microtomography. The framework shows significant improvements compared to empirical models.

COMBUSTION AND FLAME (2023)

Article Chemistry, Physical

Local Rearrangement in Adsorption Layers of Nanoconfined Ethane

Filip Simeski, Jiyue Wu, Sheng Hu, Theodore T. Tsotsis, Kristian Jessen, Matthias Ihme

Summary: This study investigates the impact of pore wall proximity, pore size, and temperature on the structure of nanoconfined ethane through experimental adsorption measurements and molecular dynamics simulations. The findings reveal an energetically favorable rearrangement of ethane molecules in the adsorption layer, which is significant for accurate estimation of gas-in-place and efficient design of gas separation membranes.

JOURNAL OF PHYSICAL CHEMISTRY C (2023)

Article Meteorology & Atmospheric Sciences

Accelerating Large-Eddy Simulations of Clouds With Tensor Processing Units

Sheide Chammas, Qing Wang, Tapio Schneider, Matthias Ihme, Yi-fan Chen, John Anderson

Summary: This study demonstrates the use of tensor processing units (TPUs) to simulate low clouds, providing valuable insights into their role in climate. The simulations conducted using TPUs show unprecedented speed and scalability, allowing for the generation of large datasets for training climate models.

JOURNAL OF ADVANCES IN MODELING EARTH SYSTEMS (2023)

Article Nanoscience & Nanotechnology

Reaction nanoscopy of ion emission from sub-wavelength propanediol droplets

Philipp Rosenberger, Ritika Dagar, Wenbin Zhang, Arijit Majumdar, Marcel Neuhaus, Matthias Ihme, Boris Bergues, Matthias F. Kling

Summary: Droplets provide a unique platform for investigating laser-induced surface chemistry. This study demonstrates the application of reaction nanoscopy technique to propanediol nanodroplets and reveals the sensitivity of the technique to droplet size, charge, and surface chemistry. The results show enhanced production of methyl cations from 1,2-PDO droplets compared to 1,3-PDO droplets, highlighting the role of surface alignment in chemical reactions on droplets. These findings open up opportunities for spatio-temporal observations of charge dynamics and surface reactions on droplets.

NANOPHOTONICS (2023)

Article Thermodynamics

Integrated experimental and computational analysis of porous media combustion by combining gas-phase synchrotron μCT, IR-imaging, and pore-resolved simulations

Emeric Boigne, Thorsten Zirwes, Dilworth Y. Parkinson, Guillaume Vignat, Priyanka Muhunthan, Harold S. Barnard, Alastair A. MacDowell, Matthias Ihme

Summary: Porous media combustion is a promising technology for efficient and clean combustion. However, the lack of understanding of interstitial combustion processes hinders its practical application and the development of predictive models. This study presents an integrated experimental and computational approach to examine porous media combustion, providing insights into the characteristics of the combustion process and suggesting potential improvements in modeling techniques.

COMBUSTION AND FLAME (2024)

Article Materials Science, Multidisciplinary

Evaluation of Electron Tomography Capabilities for Shale Imaging

Laura Froute, Emeric Boigne, Isabelle C. Jolivet, Eric Chaput, Patrice Creux, Matthias Ihme, Anthony R. Kovscek

Summary: This study evaluates the capabilities of electron tomography (ET) for thin sections of shale, a complex nanoporous medium, and identifies the limited projection range and reconstruction as the main experimental bottlenecks.

MICROSCOPY AND MICROANALYSIS (2023)

Article Instruments & Instrumentation

Autonomous screening of complex phase spaces using Bayesian optimization for SAXS measurements

Khaled Younes, Michael Poli, Priyanka Muhunthan, Ivan Rajkovic, Stefano Ermon, Thomas M. Weiss, Matthias Ihme

Summary: The advent of modern, ultrafast X-ray experiments has led to excessive data generation, which poses challenges for storage and hardware capabilities. This paper proposes using Bayesian optimization to tackle this problem, and demonstrates its versatility, robustness, and computational efficiency through experiments.

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT (2023)

No Data Available