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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

SPION@APTES@FA-PEG@Usnic Acid Bionanodrug for Cancer Therapy

In this work, we aimed to develop stable usnic acid (UA)-conjugated superparamagnetic iron oxide nanoparticles (SPIONs) as a potential drug carrier for in vitro analysis of MCF-7 (breast cancer cell line), HeLa (cervix cancer cell line), L929 (mouse fibroblast cell line), U87 (glioblastoma cell line, brain cancer), and A549 (human lung cancer cell line) cell lines. SPIONs were synthesized via the polyol method and functionalized with APTES using the Stöber method. Carboxylated polyethylene glycol (PEG-COOH), folic acid (FA), and carboxylated luteolin (CL) were conjugated on the surface via a carboxylic/amine group using the nanoprecipitation method, respectively. X-ray powder diffraction analysis confirmed the purity of the product with crystallite size of around 11 nm. Fourier-transformed infrared spectrophotometer (FT-IR) analyses explained the conjugation of all functional groups to the surface of SPIONs. The percentages of inorganic and organic content in the products were investigated via thermal gravimetric analyzer (TGA). For morphological analysis, a transmission electron microscope (TEM) was used. The superparamagnetic property of the product was also confirmed by vibrating sample magnetometer (VSM).

60 APPLIED LIFE SCIENCES↗
NASA NTRS1989

A densitometric analysis of commercial 35mm films

IIaO films have been subjected to various sensitometric tests. The have included thermal and aging effects and reciprocity failure studies. In order to compare the special IIaO film with popular brands of 35 mm films and their possible use in astrophotography, Agfa, Fuji and Kodak print and slide formats, as well as black and white and color formats, were subjected to sensitometric, as well as densitometric analysis. A scanning electron microscope was used to analyze grain structure size, and shape as a function of both speed and brand. Preliminary analysis of the grain structure using an ISI-SS40 scanning electron microscope indicates that the grain sizes for darker densities are much larger than the grain size for lighter densities. Researchers analyze the scanning electron microscope findings of the various grains versus densities as well as enhancement of the grains, using the IP-8500 Digital Image Processor.

Hammond, Ernest C., Jr.↗
DOE OSTI2018

Integrating GLL-Weibull Distribution Within a Bayesian Framework for Life Prediction of Shape Memory Alloy Spring Undergoing Thermo-mechanical Fatigue

The present paper tackles an important but unmapped problem of the reliability estimations of smart materials. First, an experimental setup is developed for accelerated life testing of the shape memory alloy (SMA) springs. Generalized log-linear Weibull (GLL-Weibull) distribution-based novel approach is then developed for SMA spring life estimation. Applied stimulus (voltage), elongation and cycles of operation are used as inputs for the life prediction model. The values of the parameter coefficients of the model provide better interpretability compared to artificial intelligence based life prediction approaches. In addition, the model also considers the effect of operating conditions, making it generic for a range of the operating conditions. Moreover, a Bayesian framework is used to continuously update the prediction with the actual degradation value of the springs, thereby reducing the uncertainty in the data and improving the prediction accuracy. In addition, the deterioration of material with number of cycles is also investigated using thermogravimetric analysis and scanning electron microscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electrode-molecule energy level offsets in a gold-benzene diamine-gold single molecule tunnel junction

One means for describing electron transport across single molecule tunnel junctions (MTJs) is to use density functional theory (DFT) in conjunction with a nonequilibrium Green’s function formalism. This description relies on interpreting solutions to the Kohn–Sham (KS) equations used to solve the DFT problem as quasiparticle (QP) states. Many practical DFT implementations suffer from electron self-interaction errors and an inability to treat charge image potentials for molecules near metal surfaces. For MTJs, the overall effect of these errors is typically manifested as an overestimation of electronic currents. Correcting KS energies for self-interaction and image potential errors results in MTJ current–voltage characteristics in close agreement with measured currents. An alternative transport approach foregoes a QP picture and solves for a many-electron wavefunction on the MTJ subject to open system boundary conditions. It is demonstrated that this many-electron method provides similar results to the corrected QP picture for electronic current. The analysis of these two distinct approaches is related through corrections to a junction’s electronic structure beyond the KS energies for the case of a benzene diamine molecule bonded between two gold electrodes.

Szepieniec, Mark S.↗
NASA NTRS1975

Angular distributions of electrons of energy E sub e greater than 0.06 MeV in the Jovian magnetosphere

The results of an angular distribution analysis of the electron intensity data recorded near Jupiter for the period from 26 November to 14 December 1973 are presented. The data were from three directional particle detectors with effective integral electron energy thresholds of 0.06, 0.55, and 5.0 Mev, respectively. It was found that the central core of the magnetosphere, within 12 Jupiter radii, is dominated by pitch angle distributions strongly peaked at alpha = 90 deg, while the region from 12 to 25 Jupiter radii shows bidirectional and approximately equal maxima at alpha = 0 and 180 deg. Bidirectional angular distributions in the magnetodisc out to the radius of the magnetopause strongly suggest quasi-trapping on closed field lines as the predominant situation. Substantial field aligned, unidirectional streaming was detected on only two occasions. No distinctive effects on angular distributions were discerned near the L-shells of satellites.

Sentman, D. D.↗
NASA NTRS1991

Destructive physical analysis results of Ni/H2 cells cycled in LEO regime

Six 48-Ah individual pressure vessel (IPV) Ni/H2 cells containing 26 and 31 percent KOH electrolyte were life cycle tested in low Earth orbit. All three cells containing 31 percent KOH failed (3729, 4165, and 11,355 cycles), while those with 26 percent KOH were cycled over 14,000 times in the continuing test. Destructive physical analysis (DPA) of the failed cells included visual inspections, measurements of electrode thickness, scanning electron microscopy, chemical analysis, and measurements of nickel electrode capacity in an electrolyte flooded cell. The cycling failure was due to a decrease of nickel electrode capacity. As possible causes of the capacity decrease, researchers observed electrode expansion, rupture, and corrosion of the nickel electrode substrate, active material redistribution, and accumulation of electrochemically undischargeable active material with cycling.

Lim, Hong S.↗
NASA NTRS1991

Destructive physical analysis results of Ni/H2 cells cycled in LEO regime

Six 48-Ah individual pressure vessel (IPV) Ni/H2 cells containing 26 and 31 percent KOH electrolyte were life cycle tested in low earth orbit. All three cells containing 31 percent KOH failed (3729, 4165, and 11,355 cycles), while those with 26 percent KOH were cycled over 14,000 times in the continuing test. Destructive physical analysis (DPA) of the failed cells included visual inspections, measurements of electrode thickness, scanning electron microscopy, chemical analysis, and measurements of nickel electrode capacity in an electrolyte flooded cell. The cycling failure was due to a decrease of nickel electrode capacity. As possible causes of the capacity decrease, researchers observed electrode expansion, rupture, and corrosion of the nickel electrode substrate, active material redistribution, and accumulation of electrochemically undischargeable active material with cycling.

Lim, Hong S.↗
NASA NTRS2012

Computational Fluid Dynamics (CFD) Analysis Of Optical Payload For Lasercomm Science (OPALS) sealed enclosure module

Computational Fluid Dynamics (CFD) using the commercial CFD package CFDesign has been performed at NASA Jet Propulsion Laboratory (JPL) California Institute of Technology (Caltech) in support of the Phaeton Early Career Hire Program's Optical Payload for Lasercomm Science (OPALS) mission. The OPALS project is one which involves an International Space Station payload that will be using forced convection cooling in a hermetically sealed enclosure at 1 atm of air to cool "off-the-shelf" vendor electronics. The CFD analysis was used to characterize the thermal and fluid flow environment within a complicated labyrinth of electronics boards, fans, instrumentation, harnessing, ductwork and heat exchanger fins. The paradigm of iteratively using CAD/CAE tools and CFD was followed in order to determine the optimum flow geometry and heat sink configuration to yield operational convective film coefficients and temperature survivability limits for the electronics payload. Results from this current CFD analysis and correlation of the CFD model against thermal test data will be presented. Lessons learned and coupled thermal / flow modeling strategies will be shared in this paper.

Computational Fluid Dynamics (CFD)↗
DOE OSTI2016

Growth and characterization of metamorphic InAs/GaSb tunnel heterojunction on GaAs by molecular beam epitaxy

The structural, morphological, optical, and electrical transport characteristics of a metamorphic, broken-gap InAs/GaSb p-i-n tunnel diode structure, grown by molecular beam epitaxy on GaAs, were demonstrated. Precise shutter sequences were implemented for the strain-balanced InAs/GaSb active layer growth on GaAs, as corroborated by high-resolution X-ray analysis. Cross-sectional transmission electron microscopy and detailed micrograph analysis demonstrated strain relaxation primarily via the formation of 90° Lomer misfit dislocations (MDs) exhibiting a 5.6 nm spacing and intermittent 60° MDs at the GaSb/GaAs heterointerface, which was further supported by a minimal lattice tilt of 180 arc sec observed during X-ray analysis. Selective area diffraction and Fast Fourier Transform patterns confirmed the full relaxation of the GaSb buffer layer and quasi-ideal, strain-balanced InAs/GaSb heteroepitaxy. Temperature-dependent photoluminescence measurements demonstrated the optical band gap of the GaSb layer. Strong optical signal at room temperature from this structure supports a high-quality material synthesis. Current–voltage characteristics of fabricated InAs/GaSb p-i-n tunnel diodes measured at 77 K and 290 K demonstrated two bias-dependent transport mechanisms. The Shockley–Read–Hall generation–recombination mechanism at low bias and band-to-band tunneling transport at high bias confirmed the p-i-n tunnel diode operation. This elucidated the importance of defect control in metamorphic InAs/GaSb tunnel diodes for the implementation of low-voltage and high-performance tunnel field effect transistor applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Automated Classification and Analysis of Non-metallic Inclusion Data Sets

The aim of this study is to utilize principal component analysis (PCA), clustering methods, and correlation analysis to condense and examine large, multivariate data sets produced from automated analysis of non-metallic inclusions. Non-metallic inclusions play a major role in defining the properties of steel and their examination has been greatly aided by automated analysis in scanning electron microscopes equipped with energy dispersive X-ray spectroscopy. The methods were applied to analyze inclusions on two sets of samples: two laboratory-scale samples and four industrial samples from a near-finished 4140 alloy steel components with varying machinability. The laboratory samples had well-defined inclusions chemistries, composed of MgO-Al{sub 2}O{sub 3}-CaO, spinel (MgO-Al{sub 2}O{sub 3}), and calcium aluminate inclusions. The industrial samples contained MnS inclusions as well as (Ca,Mn)S + calcium aluminate oxide inclusions. PCA could be used to reduce inclusion chemistry variables to a 2D plot, which revealed inclusion chemistry groupings in the samples. Clustering methods were used to automatically classify inclusion chemistry measurements into groups, i.e., no user-defined rules were required.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Solute Redistribution During Aging in a Laser-Based Powder Bed Fusion-Produced Fe-18Ni-9Co-5Mo-Ti Maraging Steel

Solute distribution during the laser-based powder bed fusion of metals process is highly complex because of solidification. This study builds on a previous investigation of how solute heterogeneities across different scales influence phase distribution and aging physical phenomena in a Fe-18Ni-9Co-5Mo-Ti maraging steel (Santana et al. in Addit Manuf 104494, 2024). Previous work using energy-dispersive X-ray spectroscopy revealed heterogeneous Ni and Mo enrichment at intercellular regions. Using X-ray diffraction, 8 ± 3% retained austenite was quantified in as-built samples. Additionally, electron backscatter diffraction analysis exposed the location of retained austenite along cell boundaries. In this work, scanning transmission electron microscopy results revealed the presence of non-enriched retained austenite in the as-built condition. With increased aging temperature, Ni and Mo enrichment in austenite increased, especially at the austenite/martensite boundary. Solute diffusion was simulated in DICTRA Thermo-Calc® software to assess solute redistribution between the matrix and second phases and to comprehend whether elemental diffusion processes are interconnected. Three different scenarios were considered: (1) solute diffusion in the matrix; (2) diffusion with enriched austenite in the intercellular region; (3) diffusion with non-enriched austenite in the intercellular region. Results showed that Ni partitioning controls austenite growth and that boundary regions exhibit higher element enrichment than the core.

42 ENGINEERING↗
DOE OSTI2019

Quantitative Nanoscale 3D Imaging of Intergranular Corrosion of 304 Stainless Steel Using Hard X-Ray Nanoprobe

Multi-modal imaging, which visualizes changes in the structure and chemistry of the same region of interest in materials by combining various techniques, is becoming attractive to material scientists. Here, we describe a multi-modal approach to investigate intergranular (IG) corrosion of sensitized stainless steels using synchrotron-based nanoscale X-ray imaging with sensitivity to microstructure and chemical composition. Three-dimensional tomography of 304 stainless steel samples deteriorated by IG corrosion, was carried out using X-ray fluorescence and differential phase contrast imaging. These findings were further supported with surface imaging and chemical analysis using scanning electron microscopy and energy dispersive X-ray spectroscopy. The combined quantitative structural and chemical analysis indicates that chromium segregates along grain boundaries, cracking is due to IG corrosion, and Cr-enrichment occurs on the cracked surfaces. Such quantitative 3D imaging of Cr 23 C 6 nucleation at grain boundaries and Cr enriched oxides at cracked surfaces is a powerful tool to correlate IG corrosion mechanisms at nanoscale with buried grain boundary structure and alloy composition. Such understanding of IG corrosion mechanisms is critical for both the development of predictive multiscale corrosion models, and the engineering of corrosion resistant materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Removal of priority and emerging pollutants from aqueous media by adsorption onto synthetic organo-funtionalized high-charge swelling micas

Highlights: • Adsorption occurs in the interlayer space (C{sub 18}-Mica-4: 49.9 Å). • Pollutants remained sorbed into C{sub 18}-Mica-4 at least 7 days after treatment. • No sample pH adjustment neither NaCl addition is required. • Removal rates from 70% to 100% for most of the 18 pollutants in 24 h. • Applicability to wastewater, surface and tap water samples demonstrated. In this work, the removal of different types of emerging pollutants (four perfluoroalkyl compounds, two preservatives, three surfactants and nine pharmaceutical compounds) from aqueous solution by adsorption onto two novel synthetic clays, a high-charge swelling mica (Na-Mica-4) and an organo-functionalized mica (C{sub 18}-Mica−4), was evaluated. Na-Mica-4 and C{sub 18}-Mica− 4 were prepared and characterized by X-Ray diffraction, Zeta potential, specific surface area, thermogravimetric analysis and transmission electron microscopy, before and after adsorption experiments. The influence of the aqueous sample pH, salt addition and extraction time in the removal were evaluated. The results showed the high adsorption affinity of C{sub 18}-Mica-4 for most of the emerging pollutants analysed after a removal time of 24 h (14 out of 18 pollutants were effectively removed [70–100%]). A high correlation was observed between the log K{sub ow} of the selected emerging pollutants and the adsorption onto C{sub 18}-Mica-4. The results also indicate that adsorption occurs in the interlayer space. While the removal rates with Na-Mica-4 were in the range 8–97% after seven days, some of the compounds, perfluorobutanoic acid and most of pharmaceutically active compounds, were not adsorbed onto the high-charge mica. C{sub 18}-Mica− 4 was effectively used for the removal of contaminants from four types of water samples.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

High-Pressure Electrides: A Quantum Chemical Perspective

It has long been assumed that all matter will adopt simple close-packed lattices and become metallic under pressure, in accordance with the Thomas–Fermi–Dirac (TFD) model. However, this model struggles to explain pressure-driven complex structural transitions that have been observed in elements, including sodium, challenging our conventional understanding of compressed matter. Moreover, in stark contrast to the TFD model, first-principles calculations suggest that various elements and compounds become electrides under pressure. Electrides, characterized by concentrations of charge density at interstitial regions, can be thought of as ionic compounds where electrons behave as the anions. Though ambient-pressure molecular electrides have been extensively studied via experiments and computations, high-pressure electrides (HPEs) are not well-understood. The identification and characterization of HPEs have been, to date, based purely on theory, including topological analysis of the electron density and the electron localization function. Here, we review these theoretical analysis tools and suggest guidelines that can be used to classify systems as electrides. Moreover, we describe models used to rationalize the electronic structure of HPEs, drawing parallels with ambient-pressure molecular systems, and encourage the development of experimental techniques that provide evidence for the theoretically calculated charge localization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Structure and spectroscopic properties of neutral and cationic tetratomic [C,H,N,Zn] isomers: A theoretical study

The structure and spectroscopic parameters of the most relevant [C,H,N,Zn] isomers have been studied employing high-level quantum chemical methods. For each isomer, we provide predictions for their molecular structure, thermodynamic stabilities as well as vibrational and rotational spectroscopic parameters which could eventually help in their experimental detection. In addition, we have carried out a detailed study of the bonding situations by means of a topological analysis of the electron density in the framework of the Bader’s quantum theory of atoms in molecules. The analysis of the relative stabilities and spectroscopic parameters suggests two linear isomers of the neutral [C,H,N,Zn] composition, namely, cyanidehydridezinc HZnCN ({sup 1}Σ) and hydrideisocyanidezinc HZnNC ({sup 1}Σ), as possible candidates for experimental detections. For the cationic [C,H,N,Zn]{sup +} composition, the most stable isomers are the ion-molecule complexes arising from the direct interaction of the zinc cation with either the nitrogen or carbon atom of either hydrogen cyanide or hydrogen isocyanide, namely, HCNZn{sup +} ({sup 2}Σ) and HCNZn{sup +} ({sup 2}Σ)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Analysis of Voyager Observed High-Energy Electron Fluxes in the Heliosheath Using MHD Simulations

The Voyager spacecraft (V1 and V2) observed electrons of 6-14 MeV in the heliosheath which showed several incidences of flux variation relative to a background of gradually increasing flux with distance from the Sun. The increasing flux of background electrons is thought to result from inward radial diffusion. We compare the temporal electron flux variation with dynamical phenomena in the heliosheath that are obtained from our MHD simulations. Because our simulation is based on V2 observed plasma data before V2 crossed the termination shock, this analysis is effective up to late 2008, i.e., about a year after the V2-crossing, during which disturbances, driven prior to the crossing time, survived in the heliosheath. Several electron flux variations correspond to times directly associated with interplanetary shock events. One noteworthy example corresponds to various times associated with the March 2006 interplanetary shock, these being the collision with the termination shock, the passage past the V1 spacecraft, and the collision with the region near the heliopause, as identified by W.R. Webber et al. for proton/helium of 7-200 MeV. Our simulations indicate that all other electron flux variations, except one, correspond well to the times when a shock-driven magneto-sonic pulse and its reflection in the heliosheath either passed across V1/V2, or collided with the termination shock or with the plasma sheet near the heliopause. This result suggests that variation in the electron flux should be due to either direct or indirect effects of magnetosonic pulses in the heliosheath driven by interplanetary shocks

Washimi, Haruichi↗
NASA NTRS2019

Advanced Modular Power System Electronics Enclosure Thermal Testing

An analysis was set up to model the temperature of the advanced modular power system (AMPS) power distribution cards when installed within the electronics enclosure case. The analysis was used to determine the steady-state temperature distribution of the cards within the case. To verify the analysis, an experiment was set up and conducted to simulate the operation of the cards within the enclosure. Four tests were conducted. The tests varied the position of the cold plate and evaluated the use of a thermal compound to reduce the contact resistance between the joints within the thermal path between the cards and the cold plate. Three of the four cases examined showed very good agreement between the analysis and the experiment with a less than 1-percent variation in the predicated temperatures determined through the analysis and the experimentally derived temperatures. In the remaining case, the difference between the analysis and experiment was approximately 12 percent. Both the experiment and analysis showed that the modular power conditioning cards can be maintained within their desired maximum operating temperature range of 40 to 45 °C through thermal conduction to a cold plate when operating with their estimated maximum heat output of 16 W per card.

Colozza, Anthony J.↗