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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Electrochemical Performance of Mixed Redox-Active Organic Molecules in Redox Flow Batteries

Designing electrolytes based on mixture of different organic redox active molecules brings the opportunity of enhancing the volumetric energy density of flow batteries and removes the requirement of high solubility for individual organic species in the mixture. Here, in the present work, we conduct computational and experimental analysis to investigate the electrochemical performance of mixed redox-active organic molecules. A zero-dimensional transient model is employed to investigate the changes in the half-cell potential and the concentrations and partial currents of individual redox reactions in a mixture of organic molecules over time. The model demonstrates the effects of individual properties of species such as kinetic rate constants, mass transfer coefficients, concentration ratios and standard redox potentials and reports the effect of energy-losing homogenous chemical redox reaction on the voltage efficiency and concentration ratios of the mixed species. Pairs of anthraquinone negolyte species were selected for an experimental case study. A mixture of 2,6-N-TSAQ and 2,6-DHAQ showed 40% increase in the volumetric energy density compared to the performance of 2,6-DHAQ alone. Based on the results of the experimental and computational analysis, we propose guidelines for the design of suitable mixed redox-active organic species.

25 ENERGY STORAGE↗
NASA NTRS1971

Zero-gravity transient thermal mixing simulation

The experimental program described is an outgrowth of independent investigations into alternate redesign concepts for the Apollo SM cryogenic oxygen storage system. The experiments were continued, after the redesign was established, to provide physical insight into transient thermal mixing in zero-gravity and to aid in the characterization of the system performance in flight. Zero-gravity heat transfer and fluid mixing were simulated experimentally through an analogy between unsteady heat conduction and species diffusion. To further support numerical analyses of the cryogenic oxygen storage system, the experimental investigation was extended to include a cubical tank geometry, representative of existing numerical models. In general, the transient flow patterns in the cubical tank are far more complex than those of the spherical tank and the extent of fluid mixing is significantly greater but less repeatable.

Lands, J. F., Jr.↗
NASA NTRS1979

Trace constituent mixing ratios in the lower stratosphere during the 1977 intertropical convergence zone experiment

Minor constituents in the atmosphere can play an important role as tracers in studies of atmospheric transport and mixing. Simultaneous measurements of the vertical distribution of trace constituents in the troposphere and lower stratosphere were conducted in the region of the Intertropical Convergence Zone (ITCZ). An effort was made to measure the mixing ratios of selected trace constituents. A cryogenic sampling system on board a U-2 aircraft was used to acquire whole-air samples and to cryogenically collect samples at 13.7 to 21.3 km. Simultaneous tropospheric measurements using whole-air sampling canisters on board a Learjet aircraft were also carried out.

Vedder, J. F.↗
DOE OSTI2023

Interface-enhanced conductivities in surfactant-mediated, solution-grown ionic crystalline complexes

Renewable energy is increasingly relying on optimized electrolytes and interfaces. In this work, Tween 20 and sodium chloride are selected as a model system to reveal the effects of surfactants on salt crystallization in the context of ionic conductivity and interface optimization. At a varied crystallization speed and mix ratio, it is demonstrated that the resultant solution-grown ionic crystalline complexes can achieve a highly tunable ion transport with a controllable crystalline interface. X-ray diffraction results rule out the possibility of polymorphism in the NaCl/Tween 20 systems, which further supports the importance of an optimized crystalline network for optimizing permittivity or ionic conductivity. Raman mapping and machine learning techniques are used to perform semantic segmentation on highly heterogeneous NaCl/Tween 20 complexes. Furthermore, FTIR measurements demonstrate that inter- and intra-molecular interactions play critical roles in the formation of these crystals. This work lays a foundation toward future optimization of such complex ion systems for a specific salt or crystallization modifier in energy storage or ion transport applications.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Hypersonic propulsion research

The NASA Langley Research Center has conducted hypersonic propulsion research since the 1960s. A variety of inlet concepts were explored and characterized. The emphasis of the inlet program was the development of the short (light weight), fixed geometry, side-wall-compression inlets that operate efficiently over a wide Mach number range. As hypersonic combustion tunnels were developed, programs to study the parameters controlling fuel mixing and combustion with single and multiple strut models were conducted using direct connect test techniques. These various tests supported the design of subscale engine test hardware that integrated inlet and combustor technology and allowed the study of the effect of heat release on thrust and combustor/inlet interaction. A number of subscale engine tests have demonstrated predicted performance levels at Mach 4 and 7 simulated flight conditions.

Northam, G. Burton↗
DOE OSTI2025

Mechanisms and stability of Li dynamics in amorphous Li-Ti-P-S-based mixed ionic–electronic conductors: A machine learning molecular dynamics study

Mixed ionic–electronic conductors (MIECs) exhibit both high ionic and electronic conductivity to improve the battery performance. In this work, we investigate the mechanism and stability of transport channels in our recently developed MIEC material, amorphous Ti-doped lithium phosphorus sulfide (LPS), using molecular dynamics (MD) simulations with a 99% accurate machine-learning force field (MLFF) trained on ab initio MD data. The achieved MLFF helps efficient large-scale MD simulations on LPS with three Ti concentrations (10%, 20%, and 30%) and six temperatures (25°C to 225°C) to calculate ionic conductivity, activation energy, Li-ion transport mechanism, and configurational entropy. Results show that ionic conductivities and activation energies are consistent with our recent experimental values. Moreover, Li-ion transport occurs via free-volume diffusion facilitated by the formation of disordered Li-S polyhedra. The enhanced stability of transport channels at 10% and 20% Ti doping, compared to 0% and 30%, is observed by analyzing the vibrational and configurational entropy of these disordered Li-S polyhedra. Overall, this study highlights the utility of MLFF-based large-scale MD simulations in explaining the transport mechanism and the stability of Li-ion in Ti-doped LPS electrolyte with significant computational efficiency.

And configuration entropy↗
NASA NTRS2000

Effect of Negative Ions on the Conductivity of the Titan Atmosphere

In an earlier paper, Borucki et al (1987) calculated the electrical conductivity and electrical charge on aerosols in Titan's atmosphere due to the ionization by galactic cosmic rays and electron precipitation from Saturn's magnetosphere. The lower atmosphere was predicted to be substantially more conducting than the atmospheres of Earth and Venus because of the high concentration of free electrons. The prediction of a high conductivity is based on the lack of electrophillic species which form negative ions with low mobility and which reduce the number of free electrons. At that time, no molecular species capable of forming negative ions in concentrations sufficient to perturb the atmospheric conductivity were identified. Recently, E. Bakes and her colleagues have been investigating the formation of nitrogenous macromolecules using quantum mechanical methods. Their calculations indicate that the molecules will be highly electrophillic and are likely to be present in the atmosphere at mixing ratios of order 10(exp -7). This mixing ratio is sufficiently large that a substantial reduction in the conductivity is expected at altitudes below 100 km. Revision of the atmospheric model to accommodate the presence of negative ions and to increase the fidelity of the modeling will be described.

Borucki, W. J.↗
NASA NTRSDate not supplied

Investigation of Lunar-Inspired Geopolymer Concrete Formulations Mixed and Cured in Microgravity on the International Space Station (ISS)

The research outlined in this presentation investigates the use of various lunar regolith simulants in geopolymer lunar concrete mixes mixed and cured on the International Space Station (ISS). The motivation for this work is to study the effects of gravity on the microstructure of alkali-activated materials cured with heat, and to develop materials for the construction of long-term infrastructure on the lunar surface with in-situ resource utilization (ISRU). ISRU for construction materials reduces the cost and mass of payloads related to lunar construction. The advantage of geopolymer concrete as opposed to traditional portland cement concrete is that water acts as a medium for the polymerization reaction and leaves the system throughout the process, reducing its demand. Twelve samples of lunar regolith simulant and a solution composed of sodium hydroxide and sodium silicate were sent to the ISS. The three simulants were OPRH2N, OPRL2N, and JSC-1AF, using only particles less than 53 µm in diameter to increase reactivity of the simulant. Simulant to solution ratios were determined by workability while mixing. The simulant and solution were sealed Burst Pouches® along with 2 other sealed bags to prevent material from leaking. Crew member F-14 conducted testing on the ISS by introducing the solution to the simulant in the Burst Pouch®, mixing the sample with a spatula, and then clamping the specimen in the fresh state to prevent flow inside the Burst Pouch®. These specimens were then put in a thermos heated to 80C via sealed drinking water bags to cure for 24 hours with a temperature logger. The cured specimens remained in microgravity for at least 28 days and were returned from the ISS in February 2025. The specimens were then brought to the NASA Marshall Space Flight Center (MSFC) to analyze. Material characterization consisted of conducting Micro-CT tests of entire samples in their sealed apparatus to a resolution of 25µm. 2D image slices were saved in each orthogonal direction of each specimen at a 0.03 mm step size from the 3D model to conduct analytical porosity calculations. Representative samples from each specimen were sampled to perform helium gas pycnometery and were then mounted in resin for SEM imaging, EDS, and nanoindentation. Porosity was analyzed analytically using micromechanics modelling with the assistance of the NASA Multiscale Analysis Tool (NASMAT), as well as the NASA Advanced Supercomputing (NAS) servers (V. Saseendran & N. Yamamoto, 2024). Density was measured using helium gas pycnometery and was then compared to the theoretical density for experimental porosity calculation. Due to the samples’ non-uniform shape being cured in a pouch, traditional compression and tensile strength testing could not be performed. Nanoindentation was conducted at Clarkson University to determine the microhardness and reduced modulus of elasticity. Results from flight samples can be compared to ground samples currently in DLR’s possession to determine the effect on microstructure from being mixed and cured in microgravity. This study gives further insight and understanding of geopolymer lunar concrete and its viability as a lunar construction material with ISRU.

Adam Johnson↗
DOE OSTI2024

Electric light-duty vehicles have decarbonization potential but may not reduce other environmental problems

Electric vehicles are promoted as ‘clean’ technologies and offer promising reductions in transportation emissions. Nevertheless, their environmental benefits critically depend on the local electricity grid mix and the type of emission being considered. Here, we conduct a comparative life cycle assessment of the four dominant light-duty vehicle categories at both the global scale and in three representative countries: Norway, the US, and China. By analyzing different environmental indicators, particularly global warming potential and respiratory effects, and quantifying related parametric uncertainties, we reveal that the advantages of electric vehicles vary across these regions and across environmental impact types. While electric vehicles offer considerable decarbonization potential as the grid mix becomes cleaner, they might not mitigate other environmental impacts, such as increased respiratory effects on rural, low-income communities. Our results support stakeholders in identifying environmentally friendly vehicle and policy options while considering multiple factors, and emphasize the importance of tailored approaches over one-size-fits-all solutions in sustainable transportation.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1988

Mixing fuel particles for space combustion research using acoustics

Part of the microgravity science to be conducted aboard the Shuttle (STS) involves combustion using solids, particles, and liquid droplets. The central experimental facts needed for characterization of premixed quiescent particle cloud flames cannot be adequately established by normal gravity studies alone. The experimental results to date of acoustically mixing a prototypical particulate, lycopodium, in a 5 cm diameter by 75 cm long flame tube aboard a Learjet aircraft flying a 20 sec low gravity trajectory are described. Photographic and light detector instrumentation combine to measure and characterize particle cloud uniformity.

Burns, Robert J.↗
NASA NTRS1988

Mixing fuel particles for space combustion research using acoustics

Part of the microgravity science to be conducted aboard the Shuttle (STS) involves combustion using solids, particles, and liquid droplets. The central experimental facts needed for characterization of premixed quiescent particle cloud flames cannot be adequately established by normal gravity studies alone. The experimental results to date of acoustically mixing a prototypical particulate, lycopodium, in a 5 cm diameter by 75 cm long flame tube aboard a Learjet aircraft flying a 20-sec low-gravity trajectory are described. Photographic and light detector instrumentation combine to measure and characterize particle cloud uniformity.

Burns, Robert J.↗
NASA NTRS1976

Payload/orbiter contamination control requirement study

The Spacelab carrier induced contaminant environment and Spacelab's ability to meet established contamination control criteria for the shuttle program are determined. The primary areas of on-going activity include updating, refining, and improving the Spacelab Contamination Computer Model and contamination analysis methodology; establishing the resulting adjusted induced environment predictions for comparison with the applicable criteria; determining Spacelab design and operational requirements necessary to meet the criteria; conducting mission feasibility analyses of the combined Spacelab/orbiter contaminant environment for specific proposed missions and payload mixes; and establishing a preliminary Spacelab mission support plan and model interface requirements. A summary is given of these activities conducted to date including any modifications in approach or methodology utilized in the contamination assessment of the Spacelab vehicle. The emphasis is placed on the Spacelab modeling efforts.

Bareiss, L. E.↗
NASA NTRS1996

Subsonic Jet Noise Reduced With Improved Internal Exhaust Gas Mixers

Aircraft noise pollution is becoming a major environmental concern for the world community. The Federal Aviation Administration (FAA) is responding to this concern by imposing more stringent noise restrictions for aircraft certification then ever before to keep the U.S. industry competitive with the rest of the world. At the NASA Lewis Research Center, attempts are underway to develop noise-reduction technology for newer engines and for retrofitting existing engines so that they are as quiet as (or quieter than) required. Lewis conducted acoustic and Laser Doppler Velocimetry (LDV) tests using Pratt & Whitney's Internal Exhaust Gas Mixers (IEGM). The IEGM's mix the core flow with the fan flow prior to their common exhaust. All tests were conducted in Lewis' Aero-Acoustic Propulsion Laboratory--a semihemispheric dome open to the ambient atmosphere. This was the first time Laser Doppler Velocimetry was used in such a facility at Lewis. Jet exhaust velocity and turbulence and the internal velocity fields were detailed. Far-field acoustics were also measured. Pratt & Whitney provided 1/7th scale model test hardware (a 12-lobe mixer, a 20-lobe mixer, and a splitter) for 1.7 bypass ratio engines, and NASA provided the research engineers, test facility, and test time. The Pratt & Whitney JT8D-200 engine power conditions were used for all tests.

Source record↗
DOE OSTI2020

Hydrodynamic instabilities and heat transfer characteristics in the duct flow of a fluid in the supercritical thermodynamic regime

The behavior of fluids at supercritical thermodynamic conditions is inherently complex due to large variations in thermodynamic and transport properties. Recent numerical and experimental investigations illustrate ongoing interest for these fluids, especially supercritical CO 2 and supercritical water, for a variety of applications. For example, supercritical water reactors (SCWR) operate in this extreme condition of high-pressure and temperature, resulting in highly dynamic flow fields and unexpected heat transfer regimes. The potential heat transfer benefits in this regime are directly associated with the extreme variations in thermodynamic and transport properties, which occur at, and above, the critical point. This work characterizes the hydrodynamic instabilities that arise for fluids at supercritical thermodynamic conditions when buoyancy forces are significant. Two specific configurations are considered, a natural convection cavity flow, and a mixed convection, heated, horizontal channel flow. Natural convection flow in a cavity is a classical configuration with expected behavior below the critical point. This configuration aids in characterizing the effect of the variable properties in the supercritical thermodynamic regime. Further, limited studies in the existing literature have been conducted for low-Reynolds and intermediate-Rayleigh numbers, mixed-convection channel flows for supercritical water, which is the focus of the channel flow configuration. To investigate the thermally driven hydrodynamic instabilities in this regime, a high-order fully-implicit numerical method is used. Such strong variations in thermophysical properties (in particular, density) are difficult to simulate and an altogether compressible framework is needed. Therefore, the compressible Navier-Stokes equations are solved without any additional assumptions. The fully implicit, high-order in space and time, reconstructed discontinuous Galerkin method as implemented within the multi-physics code called ALE3D (Arbitrary Lagrangian and Eulerian in 2D and 3D), developed at Lawrence Livermore National Laboratory (LLNL), is used. This fully implicit, L-stable method accurately captures the compressible nature of the ow in the limit of very low Mach number. It has been widely accepted that above the critical point, only one phase is observed. However, recent research has indicated the existence of the distinct gas-like and liquid-like regions separated by the Widom line, the locus of the maxima of the specific heat. Along the Widom line, density decreases 6-fold, viscosity drops by a factor of 2, while specific heat spikes by an order of magnitude. These variations, specifically in density and viscosity, produce a thick pseudo-interface and flow dynamics behavior akin to film boiling. A pseudo-film at the heated wall of the cavity and the horizontal channel is observed where buoyancy forces induce mixing through the specific configurations. Further the local Rayleigh and Richardson numbers provide maps of the flow field and the buoyancy forces driving the microscopic mixing. In the first chapter, I describe a background of supercritical fluid and the various applications. The second chapter focuses on the mathematical model and numerical method used for simulations, where a description of the equation of state for supercritical water is described. The third chapter focuses on the natural convection cavity with a heated bottom wall. In this cavity a gas-like and a liquid-like flow within the supercritical thermodynamic regime are observed. The fourth chapter focuses on a forced convection, horizontal channel, distinguishing between the gas-like, liquid-like, and mixed flow regimes. Mixed convection flow, with the addition of gravitational forces in the horizontal channel show the influence of variable properties on the hydrodynamic development, heat transfer, and rising instabilities. The last chapter of this research focuses on characterizing the unstable hydrodynamics through time-averaging processes and analysis of the movement of energy through the developing plumes.

42 ENGINEERING↗
DOE OSTI2021

Viscosity Analysis of Battery Electrode Slurry

We report the effects of component ratios and mixing time on electrode slurry viscosity. Three component quantities were varied: active material (graphite), conductive material (carbon black), and polymer binder (carboxymethyl cellulose, CMC). The slurries demonstrated shear-thinning behavior, and suspension properties stabilized after a relatively short mixing duration. However, micrographs of the slurries suggested their internal structures did not stabilize after the same mixing time. Increasing the content of polymer binder CMC caused the greatest viscosity increase compared to that of carbon black and graphite.

25 ENERGY STORAGE↗
NASA NTRS1973

An experimental investigation of mesospheric ionization

Mesospheric ionization and its variability are examined. Data were obtained primarily by the parachute-borne blunt probe technique conducted in coordinated rocket experiments at White Sands Missile Range, New Mexico and Wallops Island, Virginia. Electrical conductivity measurements and deduced charge density values from ten rocket launches are presented and discussed. Positive ion conductivity and electron density were found to be relatively invariant with height between 45 and 60 km. Variations in positive conductivity of a factor of two and enhancements in negative conductivity by as much as a factor of four were measured by the blunt probe. A simple lumped parameter ion chemistry model is shown to satisfactorily explain the charge density values for the undisturbed lower D-region. Implications of the data in terms of this model are considered. The principal loss mechanism for positive ions in the 45 to 60 km. region is concluded to be dissociative recombination. Electron densities deduced from the conductivity data are explained by detachment involving a minor neutral constituent which is mixed between 65 and 45 km. and then cuts off sharply below 45 km. A correlation study involving blunt probe measurements shows relatively good agreement between variations in positive conductivity and temperature.

Mitchell, J. D.↗
NASA NTRS1993

A study of multiscalar mixing

A model for passive mixing of multiple scalars in homogeneous turbulence is developed. This model is based on the time-evolving mapping closure methodology. Calculations from the model are compared against heat conduction simulations (HCS) data. The agreement is excellent at the early stages of mixing and at the later stages it is fair.

Girimaji, Sharath S.↗
DOE OSTI2023

Dominant Role of Hole Transport Pathway in Achieving Record High Photoconductivity in Two‐Dimensional Metal–Organic Frameworks

Abstract Metal–organic frameworks (MOFs) with mobile charges have attracted significant attention due to their potential applications in photoelectric devices, chemical resistance sensors, and catalysis. However, fundamental understanding of the charge transport pathway within the framework and the key properties that determine the performance of conductive MOFs in photoelectric devices remain underexplored. Herein, we report the mechanisms of photoinduced charge transport and electron dynamics in the conductive 2D M−HHTP (M=Cu, Zn or Cu/Zn mixed; HHTP=2,3,6,7,10,11‐hexahydroxytriphenylene) MOFs and their correlation with photoconductivity using the combination of time‐resolved terahertz spectroscopy, optical transient absorption spectroscopy, X‐ray transient absorption spectroscopy, and density functional theory (DFT) calculations. We identify the through‐space hole transport mechanism through the interlayer sheet π–π interaction, where photoinduced hole state resides in HHTP ligand and electronic state is localized at the metal center. Moreover, the photoconductivity of the Cu−HHTP MOF is found to be 65.5 S m −1 , which represents the record high photoconductivity for porous MOF materials based on catecholate ligands.

Wang, Denan↗