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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Water Dynamics of Superacid Aromatic Proton Exchange Membranes for Fuel Cell Applications

Proton exchange membranes (PEMs) with high conductivity are of critical importance for the development of fuel cells, electrolyzers, and other electrochemical technologies. In this research, poly(1,1,2,2-tetrafluoro-2-phenoxyethane-1-sulfonic acid) (PTPS) with an aromatic polymer main chain and a perfluorinated superacidic polymer side chain was synthesized. The water dynamics of PTPS were characterized across various length scales using a combination of Fourier-transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (NMR) and compared with Nafion, a standard perfluorinated PEM, and sulfonated poly(ether sulfone) (SPES 40), an aromatic PEM without perfluorinated superacid side chains. The T 1 and T 2 relaxation times of water in the samples probed by NMR increase from SPES 40 to PTPS to Nafion, indicating that the local motion of the water molecules becomes faster. This trend corresponds well with the relative fraction of bulk-like water determined using FTIR. At larger length scales, the diffusion coefficient of water was characterized using pulsed-field gradient NMR (PFG-NMR). At a longer diffusion time (Δ = 100 ms), PTPS has a smaller diffusion coefficient compared with both Nafion and SPES 40, due to restricted diffusion, and this effect is also evident in the proton conductivity of the hydrated membranes. From this comparison, it is apparent that the aromatic backbone and side chain type greatly influence the water dynamics in PEMs at various length scales and the water dynamics significantly impact the bulk proton conductivity. These insights will lead to new designs for aromatic PEMs and help to identify bottlenecks in current materials.

25 ENERGY STORAGE↗
DOE OSTI2024

Hyperspectral Detection of the Fluorescence Shift between Chirality-Sorted Empty and Water-Filled Single-Wall Carbon Nanotube Enantiomers

Single-wall carbon nanotubes (SWCNTs) have extraordinary electronic and optical properties that depend strongly on their exact chiral structure and their interaction with their inner and outer environment. The fluorescence (PL) of semiconducting SWCNTs, for instance, will shift depending on the molecules with which the SWCNT’s hollow core is filled. These interaction-induced shifts are challenging to resolve on the ensemble level in samples containing a mixture of different filling contents due to the relatively large inhomogeneous line width of the ensemble SWCNT PL compared to the size of these shifts. To circumvent this inhomogeneous broadening, single-tube spectroscopy and hyperspectral imaging are often applied, which until now required time-consuming statistical studies. Here, we present hyperspectral PL microscopy combined with automated SWCNT segmenting based on either principal component analysis or a convolutional neural network, capable of both spatially and spectrally resolving the PL along the length of many individual SWCNTs at the same time and automatically fitting peak positions and line widths of individual SWCNTs. The methodology is demonstrated by accurately determining the emission shifts and line widths of thousands of left- and right-handed empty and water-filled SWCNTs coated with a chiral surfactant, resulting in four statistical distributions which cannot be resolved in ensemble spectroscopy of unsorted samples. The results demonstrate a robust method to quickly probe ensemble properties with single-enantiomer spectral resolution. Moreover, it promises to be an absolute quantitative method to characterize the relative abundances of SWCNTs with different handedness or filling content in macroscopic samples, simply by counting individual species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Kent Island Boundary Layer Field Campaign Report

Understanding the mechanisms governing the urban atmospheric environment is critical for informing urban populations about the impacts of climate change and associated mitigation and adaptation measures. The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility’s Coast-Urban-Rural Atmospheric Gradient Experiment (CoURAGE) was conducted to study the interactions among the earth’s surface, the atmospheric boundary layer (ABL), aerosols, atmospheric composition, clouds, radiation, and precipitation at each experimental site, and to examine how the spatial gradients across the region interact to create the climate conditions in Baltimore. In this activity we performed weekly soundings, alternating between day and night from Kent Island, to get low-frequency, long-term observations of ABL/lower tropospheric thermodynamic structure. However, during the CoURAGE intensive operational period (IOP), we performed high-frequency sampling (2x/day), at times coinciding with CoURAGE IOP soundings at the main site. The short-term, high-frequency sounding information that was launched at 12Z and 18Z was to complement the longer-term data set.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

Three-dimensional simulations of atmospheric methyl chloroform - Effect of an ocean sink

A global three-dimensional chemical tracer model of the distribution and seasonal cycles of the surface concentration of CH3CCl3 is compared with surface observations from the Atmospheric Lifetime Experiment (ALE) for the years 1980-1985. Two-dimensional OH distributions calculated by a photochemical model are empirically adjusted from observed trends in the global average and the interhemispheric ratio of methyl chloroform. The effects of the recently discovered ocean sink for methyl chloroform were investigated. The model simulates the 5-year record of observations made at the five ALE sampling sites to generally within +/- 5 percent of the observed mean. The calculated average global lifetime of methyl chloroform is 5.7 +/- 0.3 years. The estimated global mean OH concentration is 6.5 +/- 0.4 x 10 exp 5/cu cm. However, the inclusion of the ocean sink does not significantly improve the simulation of the observed interhemispheric gradient of methyl chloroform. Atmospheric transport dominates the simulated CH3CCl3 seasonal cycle throughout the Northern Hemisphere but is less important in the Southern Hemisphere.

Tie, X.↗
NASA NTRS1993

The nature of unidentified far-infrared point sources

Sources discovered by the Infrared Astronomical Satellite with spectra that rise steeply from 60 to 100 microns are a mixed sample of external galaxies, condensations in the interstellar medium, and potentially unknown astronomical objects. Sources in regions of low total H I column density (as determined with the all-sky 21-cm line surveys), and with no nearby cataloged external galaxy, were observed for presence of 20-cm continuum emission (with the NRAO VLA), enhanced 21-cm H I line emission (with the NAIC Arecibo 305 m), and molecular line emission (with the NRAO 12 m, HCRO 6 m, and FCRAO 14 m). Based on the CO detection rate, 70 percent of our sample are small interstellar molecular clouds. The remainder are mostly faint external galaxies. The dust column densities of the interstellar condensations were determined from the IR flux, using a spherical-cloud model for the radiative transfer of the interstellar radiation field (ISRF). The CO column densities were determined using the large-velocity-gradient model for the excitation and radiative transfer of the rotational transitions. About half of the interstellar sources have normal dust-to-gas ratios and ISRF heating. Sources with excess infrared emission, compared to the molecular column density, are protostellar candidates.

Reach, William T.↗
NASA NTRS2013

Quantitative Infrared Image Analysis Of Simultaneous Upstream and Downstream Microgravity Flame Spread over Thermally-Thin Cellulose in Low Speed Forced Flow

The effect of low velocity forced flow on microgravity flame spread is examined using quantitative analysis of infrared video imaging. The objective of the quantitative analysis is to provide insight into the mechanisms of flame spread in microgravity where the flame is able to spread from a central location on the fuel surface, rather than from an edge. Surface view calibrated infrared images of ignition and flame spread over a thin cellulose fuel were obtained along with a color video of the surface view and color images of the edge view using 35 mm color film at 2 Hz. The cellulose fuel samples were mounted in the center of a 12 cm wide by 16 cm tall flow duct and were ignited in microgravity using a straight hot wire across the center of the 7.5 cm wide by 14 cm long samples. Four cases, at 1 atm. 35%O2 in N2, at forced flows from 2 cm/s to 20 cm/s are presented here. This flow range captures flame spread from strictly upstream spread at low flows, to predominantly downstream spread at high flow. Surface temperature profiles are evaluated as a function of time, and temperature gradients for upstream and downstream flame spread are measured. Flame spread rates from IR image data are compared to visible image spread rate data. IR blackbody temperatures are compared to surface thermocouple readings to evaluate the effective emissivity of the pyrolyzing surface. Preheat lengths and pyrolysis lengths are evaluated both upstream and downstream of the central ignition point. A surface energy balance estimates the net heat flux from the flame to the fuel surface along the length of the fuel. Surface radiative loss and gas-phase radiation from soot are measured relative to the net heat feedback from the flame. At high surface heat loss relative to heat feedback, the downstream flame spread does not occur.

Olson, S. L.↗
NASA NTRSDate not supplied

Detecting Volcanic Co2 Emissions Hidden in Tropical Volcanic Forests Using Fixed-Wing sUAS

CO2 emissions are among the earliest indicators of subsurface state change and reactivation of volcanic systems and these deep signals reflect in faint diffuse emissions variations on volcanic flanks. Monitoring vast areas of rainforests covering tropical volcanoes is challenging, and space-borne sensors like OCO-2 are not sensitive enough. Fortunately, trees exposed to mild enhancements of CO2 may experience fertilization and build excess CO2 into excess biomass (Cawse-Nicholson, et al. 2018, Biogeosciences). They also process excess CO2 through photosynthesis, measurable by fluorescence (Bogue et al., 2019, Biogeosciences). Furthermore, spaceborne remote sensing instruments have demonstrated increasing NDVI months to years before eruptions, unexplained by other factors (e.g., Houlie et al. 2006, EPSL; Seiler et al. 2017, PLoS One). By providing a means to map large areas of above-canopy CO2 variations over tropical rainforest on the flanks of actively degassing volcanoes, we enable to interpret the signals plants provide in response to excess CO2 with airborne and spaceborne hyperspectral remote sensing methods, including a possible future Surface Biology and Geology (SBG) NASA satellite mission.As a critical step to mature and test this concept, we deployed small unmanned aerial systems (sUAS) using a fixed-wing sUAS designed for autonomous operations and long endurance in extreme environments, without causing significant disturbance of the sampled air. We integrated an in-situ sensor to record the CO2 enhancement field above the forest canopy. Test flight results on the flanks of Turrialba volcano in Costa Rica above forest canopies covering known moderate gas seeps demonstrate the sUAS-borne detection and mapping capabilities of above-canopy elevated CO2 gradients. The strong detection capabilities and high detector signal stability resulted from key system design elements including RF shielding, mechanical stabilization, and calibration procedures. This highly robust system is readily applied for diffuse volcanic CO2 emission studies on active volcanoes covered by dense vegetation.

Volcanic↗
DOE OSTI2026

Nb3Sn Superconducting Radiofrequency Cavity Fabricated by Sputter Deposition from a Stoichiometric Target

Nb$_3$Sn is a promising coating material for superconducting radiofrequency cavities in next-generation accelerators due to its higher superconducting transition temperature (~18.3 K) and superheating field (~400 mT), offering the potential to surpass the intrinsic performance limits of bulk niobium. We developed a sputter coating technique employing a stoichiometric target to fabricate Nb$_3$Sn films on the inner surfaces of niobium cavities. A Nb$_3$Sn tube target, prepared by growing a >20 m thick Nb$_3$Sn coating on the surface of a Nb tube via a Sn vapor diffusion process, was used in a DC cylindrical magnetron sputtering system. Approximately 170 nm thick Nb-Sn films were sputter-coated onto flat Nb substrates positioned to replicate the beam tube and equator regions of a 2.6 GHz cavity, followed by annealing at 950 °C for 3 hours to form Nb$_3$Sn. The composition, morphology, and structure of the annealed Nb$_3$Sn films were examined. Then, a ~1.2 m-thick film was sputter-coated onto the interior of a 2.6 GHz Nb cavity following the procedure developed for the flat samples. The cavity was subsequently annealed under the same conditions used for the flat samples. Cryogenic RF testing of the sputter-coated cavity demonstrated a T$_c$ of approximately 17.8 K, consistent with Nb$_3$Sn layer. Subsequently, the cavity underwent a light Sn recoating followed by a vapor diffusion Nb$_3$Sn coating process, achieving a quality factor of approximately 8.5 × 10$^9$ and an accelerating gradient of up to 11.3 MV/m at 4.2 K.

Shakel, Md Sharifuzzaman [Old Dominion U.; Jeffers↗
NASA NTRS2020

A Global End-Member Approach to Derive aCDOM(440) from Near-Surface Optical Measurements

This study establishes an optical inversion scheme for deriving the absorption coefficient of colored (or chromophoric, depending on the literature) dissolved organic material (CDOM) at the 440 nm wavelength, which can be applied to global water masses with near-equal efficacy. The approach uses a ratio of diffuse attenuation coefficient spectral end members, i.e., a short and long wavelength pair. The global perspective is established by sampling "extremely" clear water plus a generalized extent in turbidity and optical properties that each span three decades of dynamic range. A unique data set was collected in oceanic, coastal, and inland waters (as shallow as 0.6 m) from the North Pacific Ocean, the Arctic Ocean, Hawaii, Japan, Puerto Rico, and the east and west coasts of the United States. The data were partitioned using subjective categorizations to define a validation quality subset of conservative water masses, i.e., the inflow and outflow of properties constrain the range in the gradient of a constituent, plus 15 subcategories of water masses that were not evolving conservatively. The dependence on subcategories was confirmed with an objective methodology based on cluster analysis techniques. The latter defined five distinct classes with validation quality data present in all classes, but which also decreased in percent composition as a function of increasing class number and optical complexity. Four different algorithms based on different validation quality end members were validated with accuracies of 1.–6.2 %, wherein pairs with the largest spectral span were most accurate. Although algorithm accuracy decreased with the inclusion of more subcategories containing non-conservative water masses, changes to the algorithm fit were small when a preponderance of subcategories were included. The high accuracy for all end-member algorithms was the result of data acquisition and data processing improvements, e.g., increased vertical sampling resolution to less than 1mm and a boundary constraint to mitigate wave focusing effects, respectively. An independent evaluation with a historical database confirmed the consistency of the algorithmic approach and its application to quality assurance, e.g., to flag data outside expected ranges, identify suspect spectra, and objectively determine the in-water extrapolation interval by converging agreement for all applicable end-member algorithms. The legacy data exhibit degraded performance (as 44 % uncertainty) due to a lack of high-quality near-surface observations, especially for clear waters wherein wave-focusing effects are problematic. The novel optical approach allows the in situ estimation of an in-water constituent in keeping with the accuracy obtained in the laboratory.

Stanford B Hooker↗
DOE OSTI2020

DPM: A deep learning PDE augmentation method with application to large-eddy simulation

A framework is introduced that leverages known physics to reduce overfitting in machine learning for scientific applications. The partial differential equation (PDE) that expresses the physics is augmented with a neural network that uses available data to learn a description of the corresponding unknown or unrepresented physics. Training within this combined system corrects for missing, unknown, or erroneously represented physics, including discretization errors associated with the PDE's numerical solution. For optimization of the network within the PDE, an adjoint PDE is solved to provide high-dimensional gradients, and a stochastic adjoint method (SAM) further accelerates training. Additionally, the approach is demonstrated for large-eddy simulation (LES) of turbulence. High-fidelity direct numerical simulations (DNS) of decaying isotropic turbulence provide the training data used to learn sub-filter-scale closures for the filtered Navier–Stokes equations. Out-of-sample comparisons show that the deep learning PDE method outperforms widely-used models, even for filter sizes so large that they become qualitatively incorrect. It also significantly outperforms the same neural network when a priori trained based on simple data mismatch, not accounting for the full PDE. Measures of discretization errors, which are well-known to be consequential in LES, point to the importance of the unified training formulation's design, which without modification corrects for them. For comparable accuracy, simulation runtime is significantly reduced. A relaxation of the typical discrete enforcement of the divergence-free constraint in the solver is also successful, instead allowing the DPM to approximately enforce incompressibility physics. Since the training loss function is not restricted to correspond directly to the closure to be learned, training can incorporate diverse data, including experimental data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

A molecular dynamics simulation study of thermal conductivity anisotropy in β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX)

Molecular dynamics (MD) simulations were used to predict the thermal conductivity of β-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (β-HMX) along directions normal to the (011), (110), and (010) crystal planes. These directions were selected based on the measured morphological importance of the corresponding crystal surfaces. A reverse non-equilibrium MD approach was used wherein a constant heat flux is imposed along a prescribed direction and the resulting steady-state temperature gradient determined. The coefficient of thermal conductivity λ is the quotient of heat flux and temperature gradient (i.e. Fourier's law). Finite-size effects and sensitivity to imposed heat flux were investigated. The results reveal a modest dependence of the conductivity on crystal orientation, significant finite-size effects, and low sensitivity to imposed flux so long as the Fourier's law analysis is limited to the spatial interval in the simulation cell for which the temperature gradient is constant. Infinite-length thermal conductivities were estimated by linear regression of λ -1 (L) versus reciprocal cell length L -1 for each direction. The predicted values are systematically larger, but within a factor of two, than most published experimental determinations, the latter of which were obtained for pressed-powder or composite samples rather than oriented single crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Defect And Damage Characterization Of Additively Manufactured Titanium Alloy Ti-5553 Using Traditional Computed Tomography Volume Segmentation And Machine Learning Algorithms

The mechanical response of a component is affected by defects, such as porosity, arising from the laser powder bed fusion (LPBF) fabrication process. Thus, it is important to develop accurate and efficient inspection methods for identifying porosity. In this work, porosity identified in an X-ray computed tomography (XCT) volume of a Ti-5553 coupon was compared to pores identified in a serial sectioned volume that represented the ground truth. The porosity of the XCT scan was identified using contrast-based, ISO-based, and machine learning (ML) methods for segmentation. Large inherent porosity was easy to identify, but the ISO thresholding still struggled due to the intensity gradient resulting from both the beam hardening in XCT and the uneven lighting of the serial sectioning panels. Further, the results show that ML-based methods were better suited for identifying small pores and reducing the amount of false positives. Additionally, high strain-rate impact testing was done on some of the XCT samples as well as post-mortem XCT inspection, and the same suite of segmentation and quantification tools were used to identify the large spallation cavities. The comparison of porosity pre- and post-mortem provides insight on the influence of the LPBF porosity on the formation of spall cavities.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Surface exposure history of individual crystals in the lunar regolith

The paper reports measurements of solar-flare tracks, microcraters, and glass accretionary particles in crystals from several mature soil samples and from different levels of the Apollo 15 and 16 deep drill stems. Although almost every crystal appears to have been at (or very near) the surface of the moon, the crater data indicate that typical grains are exposed to free space for only 1000-10,000 years. Neither total track densities nor track gradients are correlated with the presence of or absence of crater surfaces. Also considered is the use of cratered crystals in assessing the nature of surface changes produced by various treatments employed to study 'surface' effects.

Poupeau, G.↗
NASA NTRS2001

Innovative Technologies for a Space Station Microgravity Furnace

Several Innovations were developed for a high gradient directional solidification vacuum furnace with quench capability, called the Quench Module Insert. The QMI hot zone employs advanced heater elements in a multiple zone configuration and uses a novel instrumentation approach for temperature control. A fiber interface material provides a low friction, high heat extraction interface between a reconfigurable cold zone and the science sample. The quench utilizes a metal phase change to provide rapid, resource efficient quenching of science samples. This paper provides conceptual details and performance data on these innovations.

Carswell, B.↗
NASA NTRS2015

Design of a Thermal Precipitator for the Characterization of Smoke Particles from Common Spacecraft Materials

A thermal precipitator (TP) was designed to collect smoke aerosol particles for microscopic analysis in fire characterization research. Information on particle morphology, size and agglomerate structure obtained from these tests supplements additional aerosol data collected. Modeling of the thermal precipitator throughout the design process was performed with the COMSOL Multiphysics finite element software package, including the Eulerian flow field and thermal gradients in the fluid. The COMSOL Particle Tracing Module was subsequently used to determine particle deposition. Modeling provided optimized design parameters such as geometry, flow rate and temperatures. The thermal precipitator was built and testing verified the performance of the first iteration of the device. The thermal precipitator was successfully operated and provided quality particle samples for microscopic analysis, which furthered the body of knowledge on smoke particulates. This information is a key element of smoke characterization and will be useful for future spacecraft fire detection research.

Smoke↗
NASA NTRS2016

Thermodynamics of Gas Turbine Cycles with Analytic Derivatives in OpenMDAO

A new equilibrium thermodynamics analysis tool was built based on the CEA method using the OpenMDAO framework. The new tool provides forward and adjoint analytic derivatives for use with gradient based optimization algorithms. The new tool was validated against the original CEA code to ensure an accurate analysis and the analytic derivatives were validated against finite-difference approximations. Performance comparisons between analytic and finite difference methods showed a significant speed advantage for the analytic methods. To further test the new analysis tool, a sample optimization was performed to find the optimal air-fuel equivalence ratio, , maximizing combustion temperature for a range of different pressures. Collectively, the results demonstrate the viability of the new tool to serve as the thermodynamic backbone for future work on a full propulsion modeling tool.

Propulsion↗
NASA NTRS2001

Quantitation of promethazine and metabolites in urine samples using on-line solid-phase extraction and column-switching

A chromatographic method for the quantitation of promethazine (PMZ) and its three metabolites in urine employing on-line solid-phase extraction and column-switching has been developed. The column-switching system described here uses an extraction column for the purification of PMZ and its metabolites from a urine matrix. The extraneous matrix interference was removed by flushing the extraction column with a gradient elution. The analytes of interest were then eluted onto an analytical column for further chromatographic separation using a mobile phase of greater solvent strength. This method is specific and sensitive with a range of 3.75-1400 ng/ml for PMZ and 2.5-1400 ng/ml for the metabolites promethazine sulfoxide, monodesmethyl promethazine sulfoxide and monodesmethyl promethazine. The lower limits of quantitation (LLOQ) were 3.75 ng/ml with less than 6.2% C.V. for PMZ and 2.50 ng/ml with less than 11.5% C.V. for metabolites based on a signal-to-noise ratio of 10:1 or greater. The accuracy and precision were within +/- 11.8% in bias and not greater than 5.5% C.V. in intra- and inter-assay precision for PMZ and metabolites. Method robustness was investigated using a Plackett-Burman experimental design. The applicability of the analytical method for pharmacokinetic studies in humans is illustrated.

NASA Center JSC↗