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All sources NASA NTRS DOE OSTI

NASA NTRSDate not supplied

TPSAS-NF1676L-31185-DND

Accurate predictive modeling of EPA-defined criteria pollutants in transition zones such as the land/water interface has proven challenging due to differing emission sources, meteorology, and environmental conditions (e.g. temperature, humidity). Chemical species that are “trapped" over water may contribute to exceedence events over land due to land/sea breeze events. The Ozone Water-Land Environmental Transition Study (OWLETS) during the 2017 summer was initiated to study how ozone and ozone precursor concentrations differ over two proximate sites (separated by 20 km). One site (NASA's Langley Research Center) is a land-based site, with the second site being located on the third island of the Chesapeake Bay Bridge Tunnel, approximately 14 km offshore. Both sites had ozone lidars from the Tropospheric Ozone Lidar NETwork(TOLNET) for continuous profiling of the boundary layer and lower-tropospheric ozone and sounding capabilities for profiling the atmosphere up to 35 km. Coincident sonde launches were conducted from both sites to allow intercomparison of ozone mixing ratios and temperature/humidity. Preliminary results regarding ozone gradients are presented herein.

E Gargulinski↗

NASA NTRSDate not supplied

Aerothermal Shape Optimization of Actively-Cooled Battery Packs using Conjugate Heat Transfer

Thermal management for battery is important for electric aircraft because battery temperature is critically important to vehicle safety, and it also has direct impact on the efficiency of the battery system. Because ambient air is a readily available resource for aircraft, this paper considers an active cooling concept with forced convection of ambient air through the battery pack. Conjugate heat transfer analysis is used to solve the coupled aero-thermal problem, which consists of a finite-volume computational fluid dynamics solver for the fluid domain, and a conduction heat transfer solver for the solid domain. A mixed Neumann and Dirichlet boundary condition is developed for the fluid-solid interface, which allows the solid domain to completely submerge in the fluid domain. A gradient-based optimization method is adopted, and the discrete adjoint approach implemented in DAFoam is used to efficiently compute the gradients. The aero-thermal coupling for primal analysis and gradient computation is handled using the OpenMDAO-based MPhys framework. A constant heat source is prescribed for the battery cells, and the battery shape (design variable) is optimized to minimize cooling pump power and battery weight (composite objective function) while keeping the battery temperature below a threshold (constraint). The optimized design achieves a 44.6% and 1.5% reduction in the cooling pump power and battery weight, respectively, and the maximal temperature constraint is satisfied. This work has the potential to reduce battery-pack weight, improve performance, and reduce the weight of thermal management systems for electric vertical take-off and landing aircraft.

thermal management↗

NASA NTRSDate not supplied

Aerothermal Shape Optimization of Actively-Cooled Battery Packs Using Conjugate Heat Transfer

heat transfer↗

DOE OSTI2025

Characterization of Flashback and Flame-Holding in a Jet-in-Crossflow Mixing Configuration with Methane-Hydrogen Fuel Blends

An approach that combines experimental and numerical analyses has been implemented to characterize the fundamentals of flashback events and flame-holding phenomena during high-hydrogen combustion in a jet-in-crossflow (JICF) configuration. Such flame dynamics are visualized experimentally using nanosecond (ns)-based hydroxyl planar laser-induced fluorescence (OH-PLIF) and chemiluminescence diagnostics techniques. The JICF burner has an optically accessible pre-mixing tube allowing the optical diagnostics. The testing was conducted for varied pre-mixer velocities (V) and equivalence ratio (ϕ) for 90%-100% (H2, by mole) H2/CH4 reactant mixtures at atmospheric temperature and pressure conditions. Two distinct flashback events were identified – conventional rich flashback and lean flashback, recorded while increasing ϕ and decreasing ϕ, respectively. The cause of lean flashback was attributed to the lower momentum flux ratio which bends the jet sharply, closer toward the injection plane. The mean OH-PLIF images characterized the flame-holding behavior where the flame was found to be stabilized on the leeward side only or on both windward and leeward sides as a lifted flame near the fuel port. A Large Eddy Simulation (LES) with detailed chemistry combustion modeling approach was implemented along an OH* sub-mechanism, and it showed qualitative agreement with the integrated line-of-sight chemiluminescence results as well as the planar OH-PLIF measurements.

flame holding↗

DOE OSTI2025

Characterization of Flashback and Flame-Holding in a Jet-In-Crossflow Mixing Configuration with Methane-Hydrogen Fuel Blends

An approach that combines experimental and numerical analyses has been implemented to characterize the fundamentals of flashback events and flame-holding phenomena during high-hydrogen combustion in a jet-in-crossflow (JICF) configuration. Such flame dynamics are visualized experimentally using nanosecond (ns)-based hydroxyl planar laser-induced fluorescence (OH-PLIF) and chemiluminescence (CL) diagnostics techniques. The JICF burner has an optically accessible pre-mixing tube allowing the optical diagnostics. The testing was conducted for varied pre-mixer velocities (V) and equivalence ratio (ϕ) for 90%-100% (H2, by mole) H2/CH4 reactant mixtures at atmospheric temperature and pressure conditions. Two distinct flashbacks were identified – conventional rich flashback and lean flashback, recorded while increasing ϕ and decreasing ϕ, respectively. The cause of lean flashback was attributed to lower flux ratio which bends the jet sharply, closer toward the injection plane. The flashback was found to occur along the boundary layer, assisted by the inner wall of the pre-mixer tube. The mean OH-PLIF images characterized the flame-holding behavior where the flame was found to be stabilized on the leeward side only or on both windward and leeward sides as a lifted flame near the fuel port.

flame holding↗

NASA NTRS1976

Payload/orbiter contamination control requirement study: Spacelab configuration contamination study

The assessment of the Spacelab carrier induced contaminant environment was continued, and the ability of Spacelab to meet established contamination control criteria for the space transportation system program was determined. The primary areas considered included: (1) updating, refining, and improving the Spacelab contamination computer model and contamination analysis methodology, (2) establishing the resulting adjusted induced environment predictions for comparison with the applicable criteria, (3) determining the Spacelab design and operational requirements necessary to meet the criteria, (4) conducting mission feasibility analyses of the combined Spacelab/Orbiter contaminant environment for specific proposed mission and payload mixes, and (5) establishing a preliminary Spacelab mission support plan as well as model interface requirements; A summary of those activities conducted to date with respect to the modelling, analysis, and predictions of the induced environment, including any modifications in approach or methodology utilized in the contamination assessment of the Spacelab carrier, was presented.

Bareiss, L. E.↗

DOE OSTI2025

Origin of Stabilization of Ligand-Centered Mixed Valence Ruthenium Azopyridine Complexes: DFT Insights for Neuromorphic Applications

Redox-driven conductance changes are critical processes in molecular- and coordination-complex-based memristive thin films and devices that are envisioned for neuromorphic technologies, but fundamental mechanisms of conductance switching are not fully understood. Here, we explore charge disproportionation (CD) processes in [Ru II L 2 ](PF 6 ) 2 molecular systems that intrinsically involve interfragment charge transfer (IFCT). Using a combination of ab initio molecular dynamics simulation (AIMD), time-dependent density functional theory (TD-DFT), and density functional theory (DFT) calculations, we investigate the electron transfer mechanisms and the roles of temperature and cell volumetric expansion in facilitating the counterion movements and electronic transitions required for low-cost IFCT and charge redistribution. A detailed analysis of the density of states and TD-DFT calculations highlights that unpaired electrons play a crucial role in low-energy transitions, with the azo (N=N) groups of the ligand serving as the primary sites for electronic transport between molecular fragments, further stabilizing the asymmetric state. Localization of added electrons on azo ligands occurs with negligible change at the Ru centers, supported by atomic volume expansions up to +4.74 bohr 3 , and goes along with a progressive reduction of the HOMO−LUMO gap across redox states, suggesting enhanced conductivity. The TD-DFT analysis reveals a dominant IFCT excitation at 2082.76 nm in the doubly reduced (22) state, while a stabilization energy of 1.20 eV of the asymmetric (13) state relative to the symmetric (22) state is predicted by constrained DFT. Periodic DFT and AIMD simulations emulating a molecular film show that the stabilization of the asymmetric state, relative to a symmetric one, translates in net charge separation values (order of ∼0.33 e) that are strongly linked to increased counterion mobility (average counterion displacements exceeding 0.7 Å per atom during CD events) and the involvement of azo groups in electron redistribution. These findings, which align with previously reported experimental and computational data, provide key insights into the IFCT mechanisms and electronic transport facilitated by azo groups, with important implications for redox-driven memristive and neuromorphic technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Mixing-Controlled Combustion of Ethanol Enabled by Prechamber Ignition (PC-MCC): A Preliminary Experimental Demonstration

This experimental study presents preliminary investigations of prechamber-enabled mixing-controlled combustion (PC-MCC) at −2 bar brake mean effective pressure (BMEP) and 2200 rpm with fuel-grade ethanol (E98). Experimental results are conducted on a prechamber retrofitted single-cylinder Caterpillar C9.3B test engine. First, a series of prechamber-only experiments were conducted with a motored engine to evaluate the salient combustion trends in response to relevant prechamber operating parameters. Under firing conditions, the prechamber operating strategy was assessed with respect to the impact on ignition assistance of direct-injected E98 and overall engine performance. The preliminary results indicate the jet-induced ignition process is robust and prompts diffusion combustion of E98 at diesel-like boundary conditions. Here, the effect of external exhaust gas recirculation (EGR) on the residual tolerance of the prechamber combustion process was also investigated and showed stable combustion in both the main chamber and prechamber up to 30% EGR. Experiments were also conducted with the stock diesel engine for baseline comparison. At matched combustion phasing, mixing-controlled combustion of ethanol enabled by prechamber ignition was able to achieve heightened gross thermal efficiency while simultaneously reducing NOx and practically eliminating smoke emissions relative to diesel combustion. In addition, the covariance of load and standard deviation of combustion phasing was diesel-like and less than 2% and 1 CAD, respectively.

PC-MCC↗

DOE OSTI2021

Tunable Lithium-Ion Transport in Mixed-Halide Argyrodites Li 6–x PS 5–x ClBr x : An Unusual Compositional Space

Argyrodites, with fast lithium-ion conduction, are promising for applications in rechargeable solid-state lithium-ion batteries. In this article, we report a new compositional space of argyrodite superionic conductors, Li 6– x PS 5– x ClBr x [0 ≤ x ≤ 0.8], with a remarkably high ionic conductivity of 24 mS/cm at 25 °C for Li 5.3 PS 4.3 ClBr 0.7 . In addition, the extremely low lithium migration barrier of 0.155 eV makes Li 5.3 PS 4.3 ClBr 0.7 highly promising for low-temperature operation. Average and local structure analyses reveal that bromination ( x > 0) leads to (i) retention of the parent Li 6 PS 5 Cl structure for a wide range of x in Li 6– x PS 5– x ClBr x (0 ≤ x ≤ 0.7), (ii) co-occupancy of Cl – , Br – , and S 2– at 4a/4d sites, and (iii) gradually increased Li + -ion dynamics, eventually yielding a “liquid-like” Li-sublattice with a flattened energy landscape when x approaches 0.7. In addition, the diversity of anion species and Li-deficiency in halogen-rich Li 6– x PS 5– x ClBr x induce hypercoordination and coordination entropy for the Li-sublattice, also leading to enhanced Li + -ion transport in Li 6– x PS 5– x ClBr x . This study demonstrates that mixed-anion framework can help stabilize highly conductive structures in a compositional space otherwise unstable with lower anion diversity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1981

Rotor wake mixing effects downstream of a compressor rotor

An experimental study of rotor wake was conducted in the trailing-edge and near-wake regions of a moderately loaded compressor rotor blade using a rotating triaxial hot-wire probe in a rotating frame of reference. The flow-field was surveyed very close to the trailing-edge as well as inside the annulus- and hub-wall boundary layers. The large amount of data acquired during this program has been analyzed to discern the decay effects as well as the spanwise variation of three components of velocity, three components of intensities and three components of shear stresses. The data set also include extensive information on the variation of the flow properties downstream. The other derived quantities include wake momentum thickness and deviation angles at various spanwise and downstream locations. These data are presented and interpreted, with emphasis on the downstream mixing as well as endwall-wake interaction effects.

Ravindranath, A.↗

NASA NTRS1990

Control of flow separation and mixing by aerodynamic excitation

The recent research in the control of shear flows using unsteady aerodynamic excitation conducted at the NASA Lewis Research Center is reviewed. The program is of a fundamental nature, concentrating on the physics of the unsteady aerodynamic processes. This field of research is a fairly new development with great promise in the areas of enhanced mixing and flow separation control. Enhanced mixing research includes influence of core turbulence, forced pairing of coherent structures, and saturation of mixing enhancement. Separation flow control studies included are for a two-dimensional diffuser, conical diffusers, and single airfoils. Ultimate applications include aircraft engine inlet flow control at high angle of attack, wide angle diffusers, highly loaded airfoils as in turbomachinery, and ejector/suppressor nozzles for the supersonic transport. An argument involving the Coanda Effect is made that all of the above mentioned application areas really only involve forms of shear layer mixing enhancement. The program also includes the development of practical excitation devices which might be used in aircraft applications.

Rice, Edward J.↗

DOE OSTI2021

Pulse Detonation Engine for Advanced Oxy-Combustion of Coal-Based Fuel for Direct Power Extraction Applications

Pressure gain combustion and magnetohydrodynamic (MHD) systems have the potential to provide a step increase in the efficiency of combined-cycle power plants. Specific advantages include a net pressure increase to the system instead of a pressure drop, the high temperature of the detonation waves can increase the efficiency of power extraction compared to other processes, significant thermal energy can be released in a compact region, and the high velocities of the flow increase extraction of electrical power. In summary, a pressure gain combustor coupled with a MHD has the potential to be transformative. Despite the potential advantages, relatively little research has been conducted considering coupled pressure gain combustion systems with MHD systems. With this background and motivation, the overall goal of this effort was to advance the knowledge, technology, and computational tools associated with coupled detonation and MHD systems. A joint experimental and computational approach was used while seeking to accomplish the goals of this work. Specifically, two pulse detonation engines were developed and used for the experiments to produce detonations. Detonation speeds were measured for a variety of flow and fuel conditions (e.g., methane, propane, with coal particles). Preliminary electrical conductivity measurements were collected. An extensive amount of research was performed to identify sensitivities of detonation behaviors to the presence of combustion products. Computationally, a twofold approach was used in this work. First, a solver was developed for solving the governing equations for a reactive flow with coupled detonation and ionization chemistry. The solver was applied to study the impacts of seed material ionization on detonation. Second, a conservation element-solution element (CE-SE) based numerical solver for detonation studies with a reduced reaction mechanism for oxy-methane combustion was developed and verified on standard test cases. Key findings and contributions from this work are as follows. A system was developed for injecting powderized coal, or other seeding material, into a pulse-detonation system. The influence of a combustion product (i.e., CO 2 ) on detonation behavior was identified. Knowledge gained from this work is applicable to devices such as rotating detonation engines, where combustion products mix with fresh reactants. A system for measuring the electrical conductivity of the exhaust from a pulse-detonation engine was developed. The open-source solver, Clawpack, was extended to solve the reactive Euler equations for simulating detonations. A coupled combustion and ionization chemistry was developed in a single chemical kinetic model for methane oxidation. This model can be used to solve coupled MHD and detonation simulations. It was found that parasitic interactions from ionization chemistry with the magnetic field can reduce the detonation velocity by up to 8%, with a potential impact on power extraction of 15%. It is recommended that interactions between the detonation front and MHD field be considered. Higher gas temperatures and velocities were achieved owing to oxy-fuel detonations. Use of radical dissociation reactions in the reduced reaction mechanism, was found to be critical in predicting detonation temperature and velocity accurately.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS2002

Performance of a Model Rich Burn-quick Mix-lean Burn Combustor at Elevated Temperature and Pressure

As interest in pollutant emission from stationary and aero-engine gas turbines increases, combustor engineers must consider various configurations. One configuration of increasing interest is the staged, rich burn - quick mix - lean burn (RQL) combustor. This report summarizes an investigation conducted in a recently developed high pressure gas turbine combustor facility. The model RQL combustor was plenum fed and modular in design. The fuel used for this study is Jet-A which was injected from a simplex atomizer. Emission (CO2, CO, O2, UHC, NOx) measurements were obtained using a stationary exit plane water-cooled probe and a traversing water-cooled probe which sampled from the rich zone exit and the lean zone entrance. The RQL combustor was operated at inlet temperatures ranging from 367 to 700 K, pressures ranging from 200 to 1000 kPa, and combustor reference velocities ranging from 10 to 20 m/s. Variations were also made in the rich zone and lean zone equivalence ratios. Several significant trends were observed. NOx production increased with reaction temperature, lean zone equivalence ratio and residence time and decreased with increased rich zone equivalence ratio. NOx production in the model RQL combustor increased to the 0.4 power with increased pressure. This correlation, compared to those obtained for non-staged combustors (0.5 to 0.7), suggests a reduced dependence on NOx on pressure for staged combustors. Emissions profiles suggest that rich zone mixing is not uniform and that the rich zone contributes on the order of 16 percent to the total NOx produced.

Peterson, Christopher O.↗

DOE OSTI2020

A priori analysis of a power-law sub-filter scale mixing model for transported PDF modeling of high Karlovitz turbulent premixed flames

Accurate modeling of mixing in large-eddy simulation (LES) / transported probability density function (PDF) modeling of turbulent combustion remains an outstanding issue. The issue is particularly salient in turbulent premixed combustion under extreme conditions such as high-Karlovitz number Ka. Here, the present study addresses this issue by conducting an a priori analysis of a power-law scaling based mixing timescale model for the transported PDF model. A recently produced DNS dataset of a high-Ka turbulent jet flame is used for the analysis. A power-law scaling is observed for a scaling factor used to model the sub-filter scale mixing timescale in this high-Ka turbulent premixed DNS flame when the LES filter size is much greater than the characteristic thermal thickness of a laminar premixed flame. The sensitivity of the observed power-law scaling to the different viewpoints (local or global) and to the different scalars for the data analysis is examined and the dependence of the model parameters on the dimensionless numbers Ka and Re (the Reynolds number) is investigated. Different model formulations for the mixing timescale are then constructed and assessed in the DNS flame. The proposed model is found to be able to reproduce the mixing timescale informed by the high-Ka DNS flame significantly better than a previous model.

42 ENGINEERING↗

NASA NTRS2019

Demonstration Testing for Ground Servicing of the Commercial Crew Vehicle Emergency Breathing Air Assembly

The new Commercial crew vehicle (CCV) Breathing Air Assembly (CEBAA) is a Composite Overwrapped Pressure Vessel (COPV) filled with high-pressure air, which is designed to provide portable emergency breathing air for up to five crew in the event of an ammonia leak aboard the International Space Station (ISS). Industrially, several common methods of delivering breathing air exist; however, ground processing constraints and flight requirements necessitate the more unusual approach of servicing a COPV with high purity gaseous nitrogen and oxygen serially to achieve a specific mixture of breathing air at approximately 4000 PSIA. A dwell period allows the gases to mix before sampling for composition verification. The novelty of this approach led to concerns about acceptable gas mixing and the ability to deliver accurate gas compositions. Tests examining mixing rate over a series of post-servicing dwell periods were conducted to determine the optimal time for achieving a homogeneous mixture. Further testing was conducted to examine process accuracy using temperature-pressure load criteria to target a specific concentration of oxygen and nitrogen. Test results show that while some stratification of nitrogen and oxygen was observed, a seven-day dwell is adequate time to achieve an acceptable level of mixing, and that existing ground support equipment can accurately service CEBAA COPVs to the required temperature, pressure and composition for flight.

Active Thermal↗

NASA NTRS2019

Demonstration Testing for Ground Servicing of the Commercial Crew Vehicle Emergency Breathing Air Assembly

The new Commercial crew vehicle (CCV) Emergency Breathing Air Assembly (CEBAA) is a Composite Overwrapped Pressure Vessel (COPV) filled with high-pressure air, which is designed to provide portable emergency breathing air for up to five crew in the event of an ammonia leak aboard the International Space Station (ISS). Industrially, several common methods of delivering breathing air exist; however, ground processing constraints and flight requirements necessitate the more unusual approach of servicing a COPV with high purity gaseous nitrogen and oxygen serially to achieve a specific mixture of breathing air at approximately 4000 PSIA. A dwell period allows the gases to mix before sampling for composition verification. The novelty of this approach led to concerns about acceptable gas mixing and the ability to deliver accurate gas compositions. Tests examining mixing rate over a series of post-servicing dwell periods were conducted to determine the optimal time for achieving a homogeneous mixture. Further testing was conducted to examine process accuracy using temperature-pressure load criteria to target a specific concentration of oxygen and nitrogen. Test results show that while some stratification of nitrogen and oxygen was observed, a seven-day dwell is adequate time to achieve an acceptable level of mixing, and that existing ground support equipment can accurately service CEBAA COPVs to the required temperature, pressure and composition for flight.

Active Thermal↗

NASA NTRS2023

Life Cycle Cost Modeling of High-speed Commercial Aircraft - Final Report

SpaceWorks has concluded a 9-month research and development project aimed at addressing key questions in NASA’s effort to anticipate, understand, and ultimately support the emerging high-speed commercial flight market. The current project is a continuation of the Life Cycle Cost Modeling of High-Speed Commercial Aircraft1 , which is a follow-on to a 2021 study led by Deloitte and SpaceWorks entitled Commercial Hypersonic Transportation Market Study2 . Based in part on the recommendations of these prior studies, the objectives of this current effort were to expand the trade space to include Mach 1.5 aircraft and conduct additional trade studies. These included utilizing tech stops to extend serviceable range between city pairs, mixed aircraft fleets based on market size, flight scheduling to maximize value of the travel opportunity, and scenarios with multiple service operators. Additionally, SpaceWorks conducted new market surveys and research to update air passengers’ willingness-to-pay for highspeed flights given the changes in macroeconomic conditions since the start of the Commercial Hypersonic Transportation Market Study with Deloitte. Ultimately, the new data and capability to evaluate all the trade studies were implemented in a new simulation environment called MIDAS (Multi-market Integrated Dynamic Aerospace Simulation). This sophisticated tool, implemented using AnyLogic software, utilizes agent-based and discrete event simulation (DES) techniques to provide highly detailed analysis and assessment of the high-speed aircraft market problem.

high-speed↗

NASA NTRS1990

Control of flow separation and mixing by aerodynamic excitation

The recent research progress in the control of shear flows using unsteady aerodynamic excitation conducted at the NASA Lewis Research Center is reviewed. The program is of fundamental nature concentrating on the physics of the unsteady aerodynamic processes. This field of research is a fairly new development with great promise in the areas of enhanced mixing and flow separation control. Enhanced mixing research reported in this paper include influence of core turbulence, forced pairing of coherent structures, and saturation of mixing enhancement. Separation flow control studies included are for a two-dimensional diffuser, conical diffusers, and single airfoils. Ultimate applications of this research include aircraft engine inlet flow control at high angle of attack, wide angle diffusers, highly loaded airfoils as in turbomachinery, and ejector/suppressor nozzles for the supersonic transport. An argument involving the Coanda Effect is made here that all of the above mentioned application areas really only involve forms of shear layer mixing enhancement. The program also includes the development of practical excitation devices which might be used in aircraft applications.

Rice, Edward J.↗