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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2019

Pilot Injector Redesign to Reduce N+3 Cycle Emissions for a Gas-Turbine Combustor

An overview is given of an effort for the use of CFD analysis to complement design and configuration definition of third generation Lean-Direct Injection combustion concepts (LDI-3) for NASA's N plus 3 program. The National Combustion Code (OpenNCC) was used to perform non-reacting and two-phase reacting flow computations for a three-cup, nineteen-element flametube array with redesigned pilot injectors to improve spray and emissions characteristics when compared to a previous LDI-3 design. All computations were performed with a consistent approach to mesh-generation, spray modeling, ignition and kinetics modeling for a "medium-power" cycle condition. Computational predictions of the aerodynamics of a new pre-filming pilot injector were used to arrive at an optimized aerothermal design that meets effective area and fuel-air mixing criteria. The newly designed pilot injectors were shown to provide considerable improvements in aerodynamic stability, flame-tube pattern factor and NOx emissions, when compared to the original design.

Nitrogen Oxides↗
NASA NTRS2019

CFD Evaluation Of Lean-Direct Injection Combustors for Commercial Supersonics Technology

An overview is given of an effort that focused on using CFD analysis to complement design and configuration definition of Lean-Direct Injection (LDI) combustion concepts for NASA's Commercial Supersonic Transport (CST) program. The National Combustion Code (OpenNCC) was used to perform non-reacting and two-phase reacting flow computations for second and third generation LDI configurations at CST cruise conditions. All computations were performed with a consistent approach of mesh-generation, spray modeling, ignition and kinetics modeling. Emissions (EINOx) characteristics were predicted for CST cruise conditions, and compared with emissions data from experimental measurements to evaluate the fidelity of the CFD modeling approach to predict emissions changes in response to changes in supersonic cycle conditions.

Ajmani, Kumud↗
NASA NTRS2020

CFD Predictions of Soot & CO Emissions Generated by a Partially-Fueled 9-Element Lean-Direct Injection Combustor

A study was undertaken to investigate the CO & soot emissions generated by a partially-fueled 9- element LDI (Lean-Direct Injection) combustor configuration operating in the idle range of jet engine conditions. In order to perform the CFD analysis, several existing soot/chemistry models were implemented into the OpenNCC (Open National Combustion Code). The calculations were based on a Reynolds-Averaged Navier Stokes (RANS) simulation with standard k-epsilon turbulence model, a 62- species jet-a/air chemistry, a 2-equation soot model, & a Lagrangian spray solver. A separate transport equation was solved for all individual species involved in jet-a/air combustion. In the test LDI configuration we examined, only five of the nine injectors were fueled with the major pilot injector operating at an equivalence ratio of near one and the other four main injectors operating at an equivalence ratio near 0.55. The calculations helped to identify several reasons behind the soot & CO formation in different regions of the combustor. The predicted results were compared with the reported experimental data on soot mass concentration (SMC) & emissions index of CO (EICO). The experimental results showed that an increase in either T3 and/or F/A ratio lead to a reduction in both EICO & SMC. The predicted results were found to be in reasonable agreement. However, the predicted EICO differed substantially in one test condition associated with higher F/A ratio.

Raju, M. S.↗
DOE OSTI2026

Exploring Approaches for Accelerated Mass Spectrometric Detection of Fluorochemicals from Aqueous Solutions Using Indirect, Adsorbent-Facilitated Desorption Ionization

There is a growing need for rapid, low-cost analytical tools to screen water supplies for persistent contaminants. Due to their ubiquitous presence in the environment and their detrimental effects on human health, there is a public interest in widespread testing for perfluoroalkyl substances (PFAS). However, the most common methods for PFAS analysis can be time-intensive, requiring a preconcentration step followed by liquid chromatography–mass spectrometry (LC–MS), and are cost-prohibitive for most members of the public. To address these challenges, this study explores a novel method for rapid analysis of aqueous analytes by concentrating analytes on solid adsorbents and detecting them using mass spectrometric analysis via desorption ionization directly from the adsorbent surface. We demonstrate this general approach of indirect solution analysis (ISA) with desorption electrospray ionization (ISA-DESI) and laser desorption ionization (ISA-LDI). Various adsorbent materials were screened, including commercial mesoporous carbons, alumina, and metal–organic frameworks (MOFs). Using ISA-DESI, we consistently detect concentrations as low as 5–100 parts per trillion (ppt) for perfluorooctanoic acid (PFOA) and 10–100 ppt for perfluoroundecanoic acid (PFUnDA). This approach enables rapid detection in under 5 min, making it suitable for applications requiring trace detection with fast response times. We further demonstrate the use of ISA-DESI on a range of environmentally relevant contaminants. Advantages of this indirect solution analysis approach include simplified sample preparation, accelerated analysis, and low cost with readily available materials, making it a promising tool to accelerate mass spectrometric PFAS detection for identifying contaminated sites, performing laboratory studies, and monitoring industrial waste streams.

Bays, Nathan Robert [Sandia National Laboratories ↗
DOE OSTI2026

Identification of Solid-Electrolyte Interphase Species by Joint Characterization of Li-Ion Battery Chemistry by Mass Spectrometry and Electrochemical Reaction Networks

The formation and stability of the solid-electrolyte interphase (SEI) play central roles in determining the long-term performance and safety of modern electrochemical energy storage systems. Despite decades of research, the SEI’s heterogeneous, dynamic, and multiphase nature has defied comprehensive molecular-level characterization, creating a critical knowledge gap that limits rational battery design. In this work, we introduce a computational−experimental framework that integrates high-throughput quantum chemistry calculations, data-driven electrochemical reaction networks (eCRNs), stochastic algorithms, and laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry (LDI-FTICR-MS) to unravel SEI formation in carbonatebased electrolytes without imposing predefined mechanisms. We constructed the most comprehensive eCRN to date, spanning over 10,000 species and 209 million reactions. Through stochastic network analysis, we successfully recovered 27 species that were previously reported in the literature and predicted 28 novel SEI species nearly doubling our scientific knowledge in this area. Each new species was rigorously confirmed through advanced mass spectral analysis of its distinct molecular and isotopic signatures. We kinetically refined the formation pathways for a select set of both previously reported and novel SEI products, revealing kinetically feasible elementary reaction mechanisms with activation barriers below 1 eV. This computational−experimental approach deepens our molecular-level understanding of SEI chemistry by resolving which species form and through which decomposition mechanisms they emerge. Such knowledge provides the foundation necessary to connect electrolyte composition to the resulting SEI components, a critical step toward a more informed electrolyte development in next-generation lithium-based batteries.

25 ENERGY STORAGE↗
NASA NTRS1995

A Unique, Optically Accessible Flame Tube Facility for Lean Combustor Studies

A facility that allows interrogation of combusting flows by advanced diagnostic methods and instrumentation has been developed at the NASA Lewis Research Center. An optically accessible flame tube combustor is described which has high temperature, pressure, and air flow capabilities. The windows in the combustor measure 3.8 cm axially by 5.1 cm radially, providing 67% optical access to the 7.6 cm x 7.6 cm cross section flow chamber. Advanced gas analysis instrumentation is available through a gas chromatography/mass spectrometer system (GC/MS), which has on-line capability for heavy hydrocarbon measurement with resolution to the parts per billion level. The instrumentation allows one to study combusting flows and combustor subcomponents, such as fuel injectors and air swirlers. Planar Laser Induced Fluorescence (PLIF) can measure unstable combustion species, which cannot be obtained with traditional gas sampling. This type of data is especially useful to combustion modellers. The optical access allows measurements to have high spatial and temporal resolution. GC/MS data and PLIF images of OH- are presented from experiments using a lean direct injection (LDI) combustor burning Jet-A fuel at inlet temperatures ranging from 810 K to 866 K, combustor pressures up to 1380 kPa, and equivalence ratios from 0.41 to 0.59.

Hicks, Yolanda R.↗
NASA NTRS2001

Towards Accurate Prediction of Turbulent, Three-Dimensional, Recirculating Flows with the NCC

The National Combustion Code (NCC) was used to calculate the steady state, nonreacting flow field of a prototype Lean Direct Injection (LDI) swirler. This configuration used nine groups of eight holes drilled at a thirty-five degree angle to induce swirl. These nine groups created swirl in the same direction, or a corotating pattern. The static pressure drop across the holes was fixed at approximately four percent. Computations were performed on one quarter of the geometry, because the geometry is considered rotationally periodic every ninety degrees. The final computational grid used was approximately 2.26 million tetrahedral cells, and a cubic nonlinear k - epsilon model was used to model turbulence. The NCC results were then compared to time averaged Laser Doppler Velocimetry (LDV) data. The LDV measurements were performed on the full geometry, but four ninths of the geometry was measured. One-, two-, and three-dimensional representations of both flow fields are presented. The NCC computations compare both qualitatively and quantitatively well to the LDV data, but differences exist downstream. The comparison is encouraging, and shows that NCC can be used for future injector design studies. To improve the flow prediction accuracy of turbulent, three-dimensional, recirculating flow fields with the NCC, recommendations are given.

Iannetti, A.↗
NASA NTRS1997

Quantitative Laser-Saturated Fluorescence Measurements of Nitric Oxide in a Heptane Spray Flame

We report spatially resolved laser-saturated fluorescence measurements of NO concentration in a pre-heated, lean-direct injection (LDI) spray flame at atmospheric pressure. The spray is produced by a hollow-cone, pressure-atomized nozzle supplied with liquid heptane. NO is excited via the Q2(26.5) transition of the gamma(0,0) band. Detection is performed in a 2-nm region centered on the gamma(0,1) band. Because of the relatively close spectral spacing between the excitation (226 nm) and detection wavelengths (236 nm), the gamma(0,1) band of NO cannot be isolated from the spectral wings of the Mie scattering signal produced by the spray. To account for the resulting superposition of the fluorescence and scattering signals, a background subtraction method has been developed that utilizes a nearby non-resonant wavelength. Excitation scans have been performed to locate the optimum off-line wavelength. Detection scans have been performed at problematic locations in the flame to determine possible fluorescence interferences from UHCs and PAHs at both the on-line and off-line excitation wavelengths. Quantitative radial NO profiles are presented and analyzed so as to better understand the operation of lean-direct injectors for gas turbine combustors.

Cooper, Clayton S.↗
NASA NTRS2002

Numerical Study of Low Emission Gas Turbine Combustor Concepts

To further reduce pollutant emissions, such as CO, NO(x), UHCs, etc., in the next few decades, innovative concepts of gas turbine combustors must be developed. Several concepts, such as the LIPP (Lean- Premixed- Prevaporized), RQL (Rich-Burn Quick-Quench Lean-Burn), and LDI (Lean-Direct-Injection), have been under study for many years. To fully realize the potential of these concepts, several improvements, such as inlet geometry, air swirler, aerothermochemistry control, fuel preparation, fuel injection and injector design, etc., must be made, which can be studied through the experimental method and/or the numerical technique. The purpose of this proposal is to use the CFD technique to study, and hence, to guide the design process for low emission gas turbine combustors. A total of 13 technical papers have been (or will be) published.

Yang, Song-Lin↗
NASA NTRS2004

Development of In-Situ Erosion Measurement Techniques for Application to Real-Time Determination of Plasma Thruster Component Lifetimes

This research has resulted in advancing the laser-based diagnostic capability and the ion optics development in the ion propulsion program at NASA GRC. Laser-based plasma diagnostics have been demonstrated in tabletop experiments and, in the case of LDI, on laboratory hollow cathodes. Assessment by GRC of its resources and priorities two years into the grant lead to a refocusing of the research effort away from the development of a real-time erosion rate measurement technique. The extension of the diagnostic techniques to diagnostic tools has been transferred to graduate students under the technical direction of the PI. These diagnostics may facilitate the development of ion thruster with significantly improved throughput capability for lower-power (10 kW) missions High-Isp, Long-lived ion optics development has proceeded from simple extensions of state-of-the-art geometries to radically different geometries and materials. Full-scale testing of these ion optics has demonstrated a significant advance in the throughput capability of ion thrusters enabling significantly more demanding missions. The capability to predict the throughput was developed and will continue to be upgraded. The performance models have been validated via full-scale testing. Partial validation of the throughput prediction will be completed via an upcoming wear test of the ion optics.

Source record↗
NASA NTRS2001

NASA Glenn Research Center UEET (Ultra-Efficient Engine Technology) Program: Agenda and Abstracts

Topics discussed include: UEET Overview; Technology Benefits; Emissions Overview; P&W Low Emissions Combustor Development; GE Low Emissions Combustor Development; Rolls-Royce Low Emissions Combustor Development; Honeywell Low Emissions Combustor Development; NASA Multipoint LDI Development; Stanford Activities In Concepts for Advanced Gas Turbine Combustors; Large Eddy Simulation (LES) of Gas Turbine Combustion; NASA National Combustion Code Simulations; Materials Overview; Thermal Barrier Coatings for Airfoil Applications; Disk Alloy Development; Turbine Blade Alloy; Ceramic Matrix Composite (CMC) Materials Development; Ceramic Matrix Composite (CMC) Materials Characterization; Environmental Barrier Coatings (EBC) for Ceramic Matrix Composite (CMC) Materials; Ceramic Matrix Composite Vane Rig Testing and Design; Ultra-High Temperature Ceramic (UHTC) Development; Lightweight Structures; NPARC Alliance; Technology Transfer and Commercialization; and Turbomachinery Overview; etc.

Manthey, Lri↗
NASA NTRS2006

Diffusion Bonding of Silicon Carbide for a Micro-Electro-Mechanical Systems Lean Direct Injector

Robust approaches for joining silicon carbide (SiC) to silicon carbide sub-elements have been developed for a micro-electro-mechanical systems lean direct injector (MEMS LDI) application. The objective is to join SiC sub-elements to form a leak-free injector that has complex internal passages for the flow and mixing of fuel and air. Previous bonding technology relied upon silicate glass interlayers that were not uniform or leak free. In a newly developed joining approach, titanium foils and physically vapor deposited titanium coatings were used to form diffusion bonds between SiC materials during hot pressing. Microscopy results show the formation of well adhered diffusion bonds. Initial tests show that the bond strength is much higher than required for the component system. Benefits of the joining technology are fabrication of leak free joints with high temperature and mechanical capability.

Halbig, Michael C.↗
NASA NTRS2007

Ceramic Integration Technologies for Aerospace and Energy Systems: Technical Challenges and Opportunities

Ceramic integration technology has been recognized as an enabling technology for the implementation of advanced ceramic systems in a number of high-temperature applications in aerospace, power generation, nuclear, chemical, and electronic industries. Various ceramic integration technologies (joining, brazing, attachments, repair, etc.) play a role in fabrication and manufacturing of large and complex shaped parts of various functionalities. However, the development of robust and reliable integrated systems with optimum performance requires the understanding of many thermochemical and thermomechanical factors, particularly for high temperature applications. In this presentation, various challenges and opportunities in design, fabrication, and testing of integrated similar (ceramic-ceramic) and dissimilar (ceramic-metal) material systems will be discussed. Experimental results for bonding and integration of SiC based LDI fuel injector, high conductivity C/C composite based heat rejection system, solid oxide fuel cells system, ultra high temperature ceramics for leading edges, and ceramic composites for thermostructural applications will be presented. Potential opportunities and need for the development of innovative design philosophies, approaches, and integrated system testing under simulated application conditions will also be discussed.

Singh, Mrityunjay↗
NASA NTRS2007

Single-Shot Scalar-Triplet Measurements in High-Pressure Swirl-Stabilized Flames for Combustion Code Validation

In support of NASA ARMD's code validation project, we have made significant progress by providing the first quantitative single-shot multi-scalar data from a turbulent elevated-pressure (5 atm), swirl-stabilized, lean direct injection (LDI) type research burner operating on CH4-air using a spatially-resolved pulsed-laser spontaneous Raman diagnostic technique. The Raman diagnostics apparatus and data analysis that we present here were developed over the past 6 years at Glenn Research Center. From the Raman scattering data, we produce spatially-mapped probability density functions (PDFs) of the instantaneous temperature, determined using a newly developed low-resolution effective rotational bandwidth (ERB) technique. The measured 3-scalar (triplet) correlations, between temperature, CH4, and O2 concentrations, as well as their PDF s, also provide a high-level of detail into the nature and extent of the turbulent mixing process and its impact on chemical reactions in a realistic gas turbine injector flame at elevated pressures. The multi-scalar triplet data set presented here provides a good validation case for CFD combustion codes to simulate by providing both average and statistical values for the 3 measured scalars.

Kojima, Jun↗
NASA NTRS2008

Assessment of the Partially Resolved Numerical Simulation (PRNS) Approach in the National Combustion Code (NCC) for Turbulent Nonreacting and Reacting Flows

This paper describes an approach which aims at bridging the gap between the traditional Reynolds-averaged Navier-Stokes (RANS) approach and the traditional large eddy simulation (LES) approach. It has the characteristics of the very large eddy simulation (VLES) and we call this approach the partially-resolved numerical simulation (PRNS). Systematic simulations using the National Combustion Code (NCC) have been carried out for fully developed turbulent pipe flows at different Reynolds numbers to evaluate the PRNS approach. Also presented are the sample results of two demonstration cases: nonreacting flow in a single injector flame tube and reacting flow in a Lean Direct Injection (LDI) hydrogen combustor.

Shih, Tsan-Hsing↗
NASA NTRS2010

A Nonlinear Dynamic Subscale Model for Partially Resolved Numerical Simulation (PRNS)/Very Large Eddy Simulation (VLES) of Internal Non-Reacting Flows

A brief introduction of the temporal filter based partially resolved numerical simulation/very large eddy simulation approach (PRNS/VLES) and its distinct features are presented. A nonlinear dynamic subscale model and its advantages over the linear subscale eddy viscosity model are described. In addition, a guideline for conducting a PRNS/VLES simulation is provided. Results are presented for three turbulent internal flows. The first one is the turbulent pipe flow at low and high Reynolds numbers to illustrate the basic features of PRNS/VLES; the second one is the swirling turbulent flow in a LM6000 single injector to further demonstrate the differences in the calculated flow fields resulting from the nonlinear model versus the pure eddy viscosity model; the third one is a more complex turbulent flow generated in a single-element lean direct injection (LDI) combustor, the calculated result has demonstrated that the current PRNS/VLES approach is capable of capturing the dynamically important, unsteady turbulent structures while using a relatively coarse grid.

Shih, Tsan-Hsing↗
NASA NTRS2010

Comparing Spray Characteristics from Reynolds Averaged Navier-Stokes (RANS) National Combustion Code (NCC) Calculations Against Experimental Data for a Turbulent Reacting Flow

Developing physics-based tools to aid in reducing harmful combustion emissions, like Nitrogen Oxides (NOx), Carbon Monoxide (CO), Unburnt Hydrocarbons (UHC s), and Sulfur Dioxides (SOx), is an important goal of aeronautics research at NASA. As part of that effort, NASA Glenn Research Center is performing a detailed assessment and validation of an in-house combustion CFD code known as the National Combustion Code (NCC) for turbulent reacting flows. To assess the current capabilities of NCC for simulating turbulent reacting flows with liquid jet fuel injection, a set of Single Swirler Lean Direct Injection (LDI) experiments performed at the University of Cincinnati was chosen as an initial validation data set. This Jet-A/air combustion experiment operates at a lean equivalence ratio of 0.75 at atmospheric pressure and has a 4 percent static pressure drop across the swirler. Detailed comparisons of NCC predictions for gas temperature and gaseous emissions (CO and NOx) against this experiment are considered in a previous work. The current paper is focused on detailed comparisons of the spray characteristics (radial profiles of drop size distribution and at several radial rakes) from NCC simulations against the experimental data. Comparisons against experimental data show that the use of the correlation for primary spray break-up implemented by Raju in the NCC produces most realistic results, but this result needs to be improved. Given the single or ten step chemical kinetics models, use of a spray size correlation gives similar, acceptable results

Iannetti, Anthony C.↗
NASA NTRS2011

Assessment of Some Atomization Models Used in Spray Calculations

The paper presents the results from a validation study undertaken as a part of the NASA s fundamental aeronautics initiative on high altitude emissions in order to assess the accuracy of several atomization models used in both non-superheat and superheat spray calculations. As a part of this investigation we have undertaken the validation based on four different cases to investigate the spray characteristics of (1) a flashing jet generated by the sudden release of pressurized R134A from cylindrical nozzle, (2) a liquid jet atomizing in a subsonic cross flow, (3) a Parker-Hannifin pressure swirl atomizer, and (4) a single-element Lean Direct Injector (LDI) combustor experiment. These cases were chosen because of their importance in some aerospace applications. The validation is based on some 3D and axisymmetric calculations involving both reacting and non-reacting sprays. In general, the predicted results provide reasonable agreement for both mean droplet sizes (D32) and average droplet velocities but mostly underestimate the droplets sizes in the inner radial region of a cylindrical jet.

Raju, M. S.↗