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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Aero-Optics of Hypersonic Turbulent Boundary Layers

Aero-optics refers to optical distortions due to index-of-refraction gradients that are induced by aerodynamic density gradients. At hypersonic flow conditions, the bulk velocity is many times the speed of sound and density gradients may originate from shock waves, compressible turbulent structures, acoustic waves, thermal variations, etc. Due to the combination of these factors, aero-optic distortions are expected to differ from those common to sub-sonic and lower super-sonic speeds. This report summarizes the results from a 2019-2022 Laboratory Directed Research and Development (LDRD) project led by Sandia National Laboratories in collaboration with the University of Notre Dame, New Mexico State University, and the Georgia Institute of Technology. Efforts extended experimental and simulation methodologies for the study of turbulent hypersonic boundary layers. Notable experimental advancements include development of spectral de-aliasing techniques for highspeed wavefront measurements, a Spatially Selective Wavefront Sensor (SSWFS) technique, new experimental data at Mach 8 and 14, a Quadrature Fringe Imaging Interferometer (QFII) technique for time-resolved index-of-refraction measures, and application of QFII to shock-heated air. At the same time, model advancements include aero-optic analysis of several Direct Numerical Simulation (DNS) datasets from Mach 0.5 to 14 and development of wall-modeled Large Eddy Simulation (LES) techniques for aero-optic predictions. At Mach 8 measured and predicted root mean square Optical Path Differences agree within confidence bounds but are higher than semi-empirical trends extrapolated from lower Mach conditions. Overall, results show that aero-optic effects in the hypersonic flow regime are not simple extensions from prior knowledge at lower speeds and instead reflect the added complexity of compressible hypersonic flow physics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Simulating metagenomic stable isotope probing datasets with MetaSIPSim

DNA-stable isotope probing (DNA-SIP) links microorganisms to their in-situ function in diverse environmental samples. Combining DNA-SIP and metagenomics (metagenomic-SIP) allows us to link genomes from complex communities to their specific functions and improves the assembly and binning of these targeted genomes. However, empirical development of metagenomic-SIP methods is hindered by the complexity and cost of these studies. We developed a toolkit, ‘MetaSIPSim,’ to simulate sequencing read libraries for metagenomic-SIP experiments. MetaSIPSim is intended to generate datasets for method development and testing. To this end, we used MetaSIPSim generated data to demonstrate the advantages of metagenomic-SIP over a conventional shotgun metagenomic sequencing experiment. Through simulation we show that metagenomic-SIP improves the assembly and binning of isotopically labeled genomes relative to a conventional metagenomic approach. Improvements were dependent on experimental parameters and on sequencing depth. Community level G + C content impacted the assembly of labeled genomes and subsequent binning, where high community G + C generally reduced the benefits of metagenomic-SIP. Furthermore, when a high proportion of the community is isotopically labeled, the benefits of metagenomic-SIP decline. Finally, the choice of gradient fractions to sequence greatly influences method performance. Metagenomic-SIP is a valuable method for recovering isotopically labeled genomes from complex communities. We show that metagenomic-SIP performance depends on optimization of experimental parameters. MetaSIPSim allows for simulation of metagenomic-SIP datasets which facilitates the optimization and development of metagenomic-SIP experiments and analytical approaches for dealing with these data.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2014

LightForce Photon-Pressure Collision Avoidance: Updated Efficiency Analysis Utilizing a Highly Parallel Simulation Approach

This paper provides an updated efficiency analysis of the LightForce space debris collision avoidance scheme. LightForce aims to prevent collisions on warning by utilizing photon pressure from ground based, commercial off the shelf lasers. Past research has shown that a few ground-based systems consisting of 10 kilowatt class lasers directed by 1.5 meter telescopes with adaptive optics could lower the expected number of collisions in Low Earth Orbit (LEO) by an order of magnitude. Our simulation approach utilizes the entire Two Line Element (TLE) catalogue in LEO for a given day as initial input. Least-squares fitting of a TLE time series is used for an improved orbit estimate. We then calculate the probability of collision for all LEO objects in the catalogue for a time step of the simulation. The conjunctions that exceed a threshold probability of collision are then engaged by a simulated network of laser ground stations. After those engagements, the perturbed orbits are used to re-assess the probability of collision and evaluate the efficiency of the system. This paper describes new simulations with three updated aspects: 1) By utilizing a highly parallel simulation approach employing hundreds of processors, we have extended our analysis to a much broader dataset. The simulation time is extended to one year. 2) We analyze not only the efficiency of LightForce on conjunctions that naturally occur, but also take into account conjunctions caused by orbit perturbations due to LightForce engagements. 3) We use a new simulation approach that is regularly updating the LightForce engagement strategy, as it would be during actual operations. In this paper we present our simulation approach to parallelize the efficiency analysis, its computational performance and the resulting expected efficiency of the LightForce collision avoidance system. Results indicate that utilizing a network of four LightForce stations with 20 kilowatt lasers, 85% of all conjunctions with a probability of collision Pc > 10 (sup -6) can be mitigated.

conjunction analysis↗
DOE OSTI2016

Revisiting the Distance Duality Relation using a non-parametric regression method

The interdependence of luminosity distance, D {sub L} and angular diameter distance, D {sub A} given by the distance duality relation (DDR) is very significant in observational cosmology. It is very closely tied with the temperature-redshift relation of Cosmic Microwave Background (CMB) radiation. Any deviation from η( z )≡ D {sub L} / D {sub A} (1+ z ){sup 2} =1 indicates a possible emergence of new physics. Our aim in this work is to check the consistency of these relations using a non-parametric regression method namely, LOESS with SIMEX. This technique avoids dependency on the cosmological model and works with a minimal set of assumptions. Further, to analyze the efficiency of the methodology, we simulate a dataset of 020 points of η ( z ) data based on a phenomenological model η( z )= (1+ z ){sup ε}. The error on the simulated data points is obtained by using the temperature of CMB radiation at various redshifts. For testing the distance duality relation, we use the JLA SNe Ia data for luminosity distances, while the angular diameter distances are obtained from radio galaxies datasets. Since the DDR is linked with CMB temperature-redshift relation, therefore we also use the CMB temperature data to reconstruct η ( z ). It is important to note that with CMB data, we are able to study the evolution of DDR upto a very high redshift z = 2.418. In this analysis, we find no evidence of deviation from η=1 within a 1σ region in the entire redshift range used in this analysis (0 < z ≤ 2.418).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Feasibility of an image planning system for kilovoltage image-guided radiation therapy

Purpose: Image guidance has become a standard of care for many treatment scenarios in radiation therapy. This is most typically accomplished by use of kV x-ray devices mounted onto the linear accelerator (Linac) gantry that yield planar, fluoroscopic, and cone-beam computed tomography (CBCT) images. Image acquisition parameters are chosen via preset techniques that rely on broad categorizations in patient anatomy and imaging goal. However, the optimal imaging technique results in detectability of the features of interest while exposing the patient to minimum dose. Herein, the authors present an investigation into the feasibility of developing an image planning system (IPS) for radiotherapy.Methods: In this first phase, the authors focused on developing an algorithm to predict tissue contrast produced by a common radiotherapy planar imaging chain. Input parameters include a CT dataset and simulated planar imaging technique settings that include kV and mAs. Energy-specific attenuation through each voxel of the CT dataset was calculated in the algorithm to derive a net transmitted intensity. The response of the flat panel detector was integrated into the image simulation algorithm. Verification was conducted by comparing simulated and measured images using four phantoms. Comparisons were made in both high and low contrast settings, as well as changes in the geometric appearance due to image saturation. Results: The authors studied a lung nodule test object to assess the planning system's ability to predict object contrast and detectability. Verification demonstrated that the slope of the pixel intensities is similar, the presence of the nodule is evident, and image saturation at high mAs values is evident in both images. The appearance of the lung nodule is a function of the image detector saturation. The authors assessed the dimensions of the lung nodule in measured and simulated images. Good quantitative agreement affirmed the algorithm's predictive capabilities. The invariance of contrast with kVp and mAs prior to saturation was predicted, as well as the gradual loss of object detectability as saturation was approached. Small changes in soft tissue density were studied using a mammography step wedge phantom. Data were acquired at beam qualities of 80 and 120 kVp and over exposure values ranging from 0.04 to 500 mAs. The data showed good agreement in terms of the absolute value of pixel intensities predicted, as well as small variations across the step wedge pattern. The saturation pixel intensity was consistent between the two beam qualities studied. Boney tissue contrast was assessed using two abdominal phantoms. Measured and calculated values agree in terms of predicting the mAs value at which detector saturation, and subsequent loss of contrast occurs. The lack of variation in contrast over mAs values lower than 10 suggests that there is wide latitude for minimizing patient dose. Conclusions: The authors developed and tested an algorithm that can be used to assist in kV imaging technique selection during localization for radiotherapy. Phantom testing demonstrated the algorithm's predictive accuracy for both low and high contrast imaging scenarios. Detector saturation with subsequent loss of imaging detail, both in terms of object size and contrast were accurately predicted by the algorithm.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2025

Advancing the Frontiers of Deep Learning for Low-Dose 3D Cone-Beam CT Reconstruction

X-ray computed tomography (CT) is an important noninvasive medical imaging modality for studying the structural details of internal organs. Image reconstruction in CT is an inverse problem of recovering an object's internal structure from the absorption profile of X-ray beams (sinogram) measured using a detector. The classical variational approach for CT reconstruction minimizes an energy functional using an appropriate iterative algorithm. Motivated by the success of deep learning (DL), researchers have begun to leverage training data and enhanced computing capabilities in recent years to produce high-fidelity reconstructed images. Nonetheless, much of the academic research in DL algorithms for CT has focused primarily on the two-dimensional setting (with simplified forward operators and noise model) for proofs-of-concept, and a comprehensive benchmarking of various classical and data-driven CT reconstruction approaches has not beenundertaken. The key objective of our CT reconstruction grand challenge was to promote methodological advancements for both classical and DL-based approaches for clinical CT with a reasonably accurately simulated 3D CT forward operator and noise model. We have utilized the publicly available LIDC-IDRI dataset and simulated sinograms and FDK images corresponding to two dose levels (clinical- and low-dose, constituting two tracks of the challenge) starting from the normal-dose images as the ground truth. In this paper, we summarize the motivation, context, and results of our challenge, and highlight the future research directions in DL for clinical CT.

X-ray tomography↗
DOE OSTI2021

A consensus-based ensemble approach to improve transcriptome assembly

Systems-level analyses, such as differential gene expression analysis, co-expression analysis, and metabolic pathway reconstruction, depend on the accuracy of the transcriptome. Multiple tools exist to perform transcriptome assembly from RNAseq data. However, assembling high quality transcriptomes is still not a trivial problem. This is especially the case for non-model organisms where adequate reference genomes are often not available. Different methods produce different transcriptome models and there is no easy way to determine which are more accurate. Furthermore, having alternative-splicing events exacerbates such difficult assembly problems. While benchmarking transcriptome assemblies is critical, this is also not trivial due to the general lack of true reference transcriptomes. In this study, we first provide a pipeline to generate a set of the simulated benchmark transcriptome and corresponding RNAseq data. Using the simulated benchmarking datasets, we compared the performance of various transcriptome assembly approaches including both de novo and genome-guided methods. The results showed that the assembly performance deteriorates significantly when alternative transcripts (isoforms) exist or for genome-guided methods when the reference is not available from the same genome. To improve the transcriptome assembly performance, leveraging the overlapping predictions between different assemblies, we present a new consensus-based ensemble transcriptome assembly approach, ConSemble. Without using a reference genome, ConSemble using four de novo assemblers achieved an accuracy up to twice as high as any de novo assemblers we compared. When a reference genome is available, ConSemble using four genome-guided assemblies removed many incorrectly assembled contigs with minimal impact on correctly assembled contigs, achieving higher precision and accuracy than individual genome-guided methods. Furthermore, ConSemble using de novo assemblers matched or exceeded the best performing genome-guided assemblers even when the transcriptomes included isoforms. We thus demonstrated that the ConSemble consensus strategy both for de novo and genome-guided assemblers can improve transcriptome assembly. The RNAseq simulation pipeline, the benchmark transcriptome datasets, and the script to perform the ConSemble assembly are all freely available from: http://bioinfolab.unl.edu/emlab/consemble/.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

Emulation to simulate low resolution atmospheric data

Climate simulations require significant compute power, they are complex and therefore it is time consuming to simulate them. We have developed an emulator to simulate unknown climate datasets. The emulator uses stochastic collocation and multi-dimensional in- terpolation to simulate the datasets. We have used the emulator to determine various physical quantities such as temperature, short and long wave cloud forcing, zonal winds etc. The emulation gives results which are very close to those obtained by simulations. The emulator was tested on 2 degree atmospheric datasets. The work evaluates the pros and cons of evaluating the mean first and inter- polating and vice versa. To determine the physical quantities, we have assumed them to be a function of time, longitude, latitude and a random parameter. We have looked at parameters that govern high stable clouds, low stable clouds, timescale for convection etc. The emulator is especially useful as it requires negligible compute times when compared to the simulation itself.

Rao, Vishwas Hebbur Venkata Subba↗
DOE OSTI2025

Enhancing synchrotron radiation micro-CT images using deep learning: an application of Noise2Inverse on bone imaging

In bone-imaging research, in situ synchrotron radiation micro-computed tomography (SRµCT) mechanical tests are used to investigate the mechanical properties of bone in relation to its microstructure. Low-dose computed tomography (CT) is used to preserve bone's mechanical properties from radiation damage, though it increases noise. To reduce this noise, the self-supervised deep learning method Noise2Inverse was used on low-dose SRµCT images where segmentation using traditional thresholding techniques was not possible. Simulated-dose datasets were created by sampling projection data at full, one-half, one-third, one-fourth and one-sixth frequencies of an in situ SRµCT mechanical test. After convolutional neural networks were trained, Noise2Inverse performance on all dose simulations was assessed visually and by analyzing bone microstructural features. Visually, high image quality was recovered for each simulated dose. Lacunae volume, lacunae aspect ratio and mineralization distributions shifted slightly in full, one-half and one-third dose network results, but were distorted in one-fourth and one-sixth dose network results. Following this, new models were trained using a larger dataset to determine differences between full dose and one-third dose simulations. Significant changes were found for all parameters of bone microstructure, indicating that a separate validation scan may be necessary to apply this technique for microstructure quantification. Noise present during data acquisition from the testing setup was determined to be the primary source of concern for Noise2Inverse viability. While these limitations exist, incorporating dose calculations and optimal imaging parameters enables self-supervised deep learning methods such as Noise2Inverse to be integrated into existing experiments to decrease radiation dose.

Obata, Yoshihiro (ORCID:0000000303659129)↗
DOE OSTI2025

Antiviral discovery using sparse datasets by integrating experiments, molecular simulations, and machine learning

Computational methods have demonstrated success in identifying virucidal agents, effectively contributing to the discovery of novel virucidal molecules. In this study, we developed a machine learning (ML) model, trained on a small dataset, to predict inhibitors of human enterovirus 71 (EV71), a pathological agent that causes severe disease in children and immunocompromised adults. Despite the dataset’s limitation, comprising of only 36 compounds tested, our ML framework demonstrated significant predictive capability. Notably, experimental validation revealed that five out of the eight compounds predicted by our model from the Chinese cosmetic material list exhibited virucidal activity. The inhibitor effects displayed by the main active compounds were further confirmed by molecular dynamics simulation. This underscores the potential of our AI-driven approach to bypass data constraints in identifying active molecules against viral pathogens.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Prediction of local concentration fields in porous media with chemical reaction using a multi scale convolutional neural network

The study of solute transport in porous media is of interest in many chemical engineering systems. Some example applications include packed bed catalytic reactors, filtration devices, and batteries. The pore scale modeling of these systems is time consuming and may require large computing resources, for this reason computational fluid dynamics (CFD) simulations are not practical if a large number of simulations is required, like in multiscale modeling, where a model at a large scale calls for pore scale simulations. It has been shown that neural networks can be trained with a dataset of flow simulations and then predict fields orders of magnitude faster, and with less computational resources, in new domains. However, it is crucial to provide the neural network with an effective description of the domain and the undergoing operating conditions to be able to train models that generalize accurately in unseen samples. Therefore, research is needed to employ neural networks in new complex systems. The appropriate training of a network for predicting coupled flow and solute transport processes is an outstanding problem due to the complex interplay between geometry and operating conditions. In this work, we train a multi scale convolutional neural network (MSNet) with a diverse dataset of simulations of transport and chemical reaction in porous media to predict the local concentration fields in images of porous media. Our dataset contains a wide diversity of sphere pack arrangements under different operating conditions (Péclet and Reynolds numbers). Further, we train a robust model by employing different input descriptors that represent the medium and the different operating conditions of each system. Our trained model is able to provide nearly instantaneous predictions, compared to around twenty hours of the CFD workflow, with less than 3.5% error on new geometries and transport conditions. Thus the model could be easily integrated in a multiscale workflow where fast response is needed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

CO2 Push-Pull Dual (Conjugate) Faults Injection Simulations

This submission contains datasets and a final manuscript associated with a project simulating carbon dioxide push-pull into a conjugate fault system modeled after Dixie Valley- sensitivity analysis of significant parameters and uncertainty prediction by data-worth analysis. Datasets include: (1) Forward simulation runs of standard cases (push & pull phases), (2) Local sensitivity analyses (push & pull phases), and (3) Data-worth analysis (push & pull phases).

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Packed Column Simulations

CO2 Capture CFD (C3FD) dataset contains STAR-CCM+ simulations of a CO2-capturing solvent flowing across packing structures in a column. This dataset contains 50 2D and 50 3D simulations, each of which spans 500 timesteps. The 2D and 3D simulation meshes have 150,073 and 3,129,815 nodes, respectively. Each node contains information about its physical location, liquid volume fraction, momentum, and node type.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Development and validation of a mathematical model of heart rate response to fluid perturbation

Physiological closed-loop controlled (PCLC) medical devices monitor and automatically adjust the patient’s condition by using physiological variables as feedback, ideally with minimal human intervention to achieve the target levels set by a clinician. PCLC devices present a challenge when it comes to evaluating their performance, where conducting large clinical trials can be expensive. Virtual physiological patients simulated by validated mathematical models can be utilized to obtain preclinical evidence of safety and assess the performance of the PCLC medical device during normal and worst-case conditions that are unlikely to happen in a limited clinical trial. A physiological variable that plays a major role during fluid resuscitation is heart rate (HR). For in silico assessment of PCLC medical devices regarding fluid perturbation, there is currently no mathematical model of HR validated in terms of its predictive capability performance. This paper develops and validates a mathematical model of HR response using data collected from sheep subjects undergoing hemorrhage and fluid infusion. The model proved to be accurate in estimating the HR response to fluid perturbation, where averaged between 21 calibration datasets, the fitting performance showed a normalized root mean square error (NRMSE) of 7.41 ± 2.8%. The model was also evaluated in terms of model predictive capability performance via a leave-one-out procedure (21 subjects) and an independent validation dataset (6 subjects). Two different virtual cohort generation tools were used in each validation analysis. The generated envelope of virtual subjects robustly met the defined acceptance criteria, in which 95% of the testing datasets presented simulated HR patterns that were within a deviation of 50% from the observed data. In addition, out of 16000 and 18522 simulated subjects for the leave one-out and independent datasets, the model was able to generate at least one virtual subject that was close to the real subject within an error margin of 9.56 ± 3.15% and 11.1 ± 1.22% NRMSE, respectively. In conclusion, the model can generate valid virtual HR physiological responses to fluid perturbation and be incorporated into future non-clinical simulated testing setups for assessing PCLC devices intended for fluid resuscitation.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2013

Comparison of Four Precipitation Forcing Datasets in Land Information System Simulations over the Continental U.S.

The NASA Short ]term Prediction Research and Transition (SPoRT) Center in Huntsville, AL is running a real ]time configuration of the NASA Land Information System (LIS) with the Noah land surface model (LSM). Output from the SPoRT ]LIS run is used to initialize land surface variables for local modeling applications at select National Weather Service (NWS) partner offices, and can be displayed in decision support systems for situational awareness and drought monitoring. The SPoRT ]LIS is run over a domain covering the southern and eastern United States, fully nested within the National Centers for Environmental Prediction Stage IV precipitation analysis grid, which provides precipitation forcing to the offline LIS ]Noah runs. The SPoRT Center seeks to expand the real ]time LIS domain to the entire Continental U.S. (CONUS); however, geographical limitations with the Stage IV analysis product have inhibited this expansion. Therefore, a goal of this study is to test alternative precipitation forcing datasets that can enable the LIS expansion by improving upon the current geographical limitations of the Stage IV product. The four precipitation forcing datasets that are inter ]compared on a 4 ]km resolution CONUS domain include the Stage IV, an experimental GOES quantitative precipitation estimate (QPE) from NESDIS/STAR, the National Mosaic and QPE (NMQ) product from the National Severe Storms Laboratory, and the North American Land Data Assimilation System phase 2 (NLDAS ]2) analyses. The NLDAS ]2 dataset is used as the control run, with each of the other three datasets considered experimental runs compared against the control. The regional strengths, weaknesses, and biases of each precipitation analysis are identified relative to the NLDAS ]2 control in terms of accumulated precipitation pattern and amount, and the impacts on the subsequent LSM spin ]up simulations. The ultimate goal is to identify an alternative precipitation forcing dataset that can best support an expansion of the real ]time SPoRT ]LIS to a domain covering the entire CONUS.

Case, Jonathan L.↗
DOE OSTI2024

A machine learning estimator trained on synthetic data for real-time earthquake ground-shaking predictions in Southern California

Abstract After large-magnitude earthquakes, a crucial task for impact assessment is to rapidly and accurately estimate the ground shaking in the affected region. To satisfy real-time constraints, intensity measures are traditionally evaluated with empirical Ground Motion Models that can drastically limit the accuracy of the estimated values. As an alternative, here we present Machine Learning strategies trained on physics-based simulations that require similar evaluation times. We trained and validated the proposed Machine Learning-based Estimator for ground shaking maps with one of the largest existing datasets (<100M simulated seismograms) from CyberShake developed by the Southern California Earthquake Center covering the Los Angeles basin. For a well-tailored synthetic database, our predictions outperform empirical Ground Motion Models provided that the events considered are compatible with the training data. Using the proposed strategy we show significant error reductions not only for synthetic, but also for five real historical earthquakes, relative to empirical Ground Motion Models.

Environmental Sciences & Ecology↗
NASA NTRS2013

Comparison of Four Precipitation Forcing Datasets in Land Information System Simulations over the Continental U.S.

This paper and poster presented a description of the current real-time SPoRT-LIS run over the southeastern CONUS to provide high-resolution, land surface initialization grids for local numerical model forecasts at NWS forecast offices. The LIS hourly output also offers a supplemental dataset to aid in situational awareness for convective initiation forecasts, assessing flood potential, and monitoring drought at fine scales. It is a goal of SPoRT and several NWS forecast offices to expand the LIS to an entire CONUS domain, so that LIS output can be utilized by NWS Western Region offices, among others. To make this expansion cleanly so as to provide high-quality land surface output, SPoRT tested new precipitation datasets in LIS as an alternative forcing dataset to the current radar+gauge Stage IV product. Similar to the Stage IV product, the NMQ product showed comparable patterns of precipitation and soil moisture distribution, but suffered from radar gaps in the intermountain West, and incorrectly set values to zero instead of missing in the data-void regions of Mexico and Canada. The other dataset tested was the next-generation GOES-R QPE algorithm, which experienced a high bias in both coverage and intensity of accumulated precipitation relative to the control (NLDAS2), Stage IV, and NMQ simulations. The resulting root zone soil moisture was substantially higher in most areas.

Case, Jonathan L.↗
DOE OSTI2021

Large-eddy simulation of a multi-injection flame in a diesel engine environment using an unsteady flamelet/progress variable approach

In this work, large-eddy simulations (LESs) are conducted for a multiple-injection flame in a diesel engine environment using an unsteady flamelet/progress variable (UFPV) approach in which differential diffusion is considered. The suitability of the UFPV tabulation approach is first evaluated through a priori analyses using the state-of-the-art direct numerical simulation (DNS) dataset. Both the instantaneous data and the conditional values for the major and minor species' mass fractions are compared between the UFPV and the DNS. The comparisons show that the proposed UFPV tabulation approach can give good predictions for the multiple-injection flame at different injection phases. While the gas temperature and major species mass fractions can be accurately predicted with or without differential diffusion being considered in the UFPV flamelet library, the prediction accuracy for the highly diffusive species (e.g., hydrogen) in the main injection phase can be noticeably improved when differential diffusion is taken into account. The fully coupled LES/UFPV simulations show that the overall structure of the multiple-injection flame can be predicted, and the conditional thermo-chemical values are close to the filtered DNS dataset. The reasons for the remaining discrepancies found in the a priori analyses and the a posteriori simulations using the UFPV approach are analyzed.

Wen, Xu (ORCID:0000000331334292)↗