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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 145 records · Page 8

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NASA NTRS1990

Crystallization of the Fab from a human monoclonal antibody against gp 41 of human immunodeficiency virus type I

A monoclonal IgG antibody directed against gp 41 from the human immunodeficiency virus (HIV-1) has been crystallized in both intact and Fab forms. Crystals of the intact antibody grow as tetragonal-like prisms too small for conventional X-ray analysis. However, the Fab portion of the antibody produces suitable platelike crystals which belong to the space group P2(1)2(1)2(1) with unit cell constants of a = 66.5 A, b = 74.3 A, and c = 105.3 A. There is one molecule of Fab in the asymmetric unit. The Fab crystals show diffraction to d-spacings less than 3.0 A.

Casale, Elena↗

NASA NTRS2005

Space Qualification of Laser Diode Arrays

Laser instruments have great potential in enabling a new generation of remote-sensing scientific instruments. NASA s desire to employ laser instruments aboard satellites, imposes stringent reliability requirements under severe conditions. As a result of these requirements, NASA has a research program to understand, quantify and reduce the risk of failure to these instruments when deployed on satellites. Most of NASA s proposed laser missions have base-lined diode-pumped Nd:YAG lasers that generally use quasi-constant wave (QCW), 808 nm Laser Diode Arrays (LDAs). Our group has an on-going test program to measure the performance of these LDAs when operated in conditions replicating launch and orbit. In this paper, we report on the results of tests designed to measure the effect of vibration loads simulating launch into space and the radiation environment encountered on orbit. Our primary objective is to quantify the performance of the LDAs in conditions replicating those of a satellite instrument, determine their limitations and strengths which will enable better and more robust designs. To this end we have developed a systematic testing strategy to quantify the effect of environmental stresses on the optical and electrical properties of the LDA.

Troupaki, Elisavet↗

NASA NTRS1996

Microstructural Characterization of Thin Polyimide Films by Positron Lifetime Spectroscopy

Positron lifetimes have been measured in a series of thin aromatic polyimide films. No evidence of positronium formation was observed in any of the films investigated. All test films exhibited only two positron lifetime components, the longer component corresponding to the positrons annihilating at shallow traps. Based on these trapped positron lifetimes, free volume fractions have been calculated for all the films tested. A free volume model has been developed to calculate the dielectric constants of thin polyimide films. The experimental and the calculated values for the dielectric constants of the films tested are in reasonably good agreement. It has been further noted that the presence of bulky CF(sub 3) groups and meta linkages in the polyimide structure results in higher free volume fraction and, consequently, lower dielectric constant values for the films studied.

Eftekhari, A.↗

NASA NTRS2023

Progress in Predicting Ionic Cocrystal Formation: The Case of Ammonium Nitrate

In contrast to the mature predictive frameworks applied to neutral cocrystals, ionic cocrystals, those including an ion pair, are difficult to design. Furthermore, they are generally excluded categorically from studies which correlate specific molecular properties to cocrystal formation, leaving the prospective ionic cocrystal engineer with few clear avenues to success. Herein ammonium nitrate, an energetic oxidizing salt, is targeted for cocrystallization in a potential coformer group selected based on likely interactions with the nitrate ion as revealed in the Cambridge Structural Database; six novel ionic cocrystals were discovered. Molecular descriptors previously identified as being related to neutral cocrystal formation were examined across the screening group but showed no relationship with ionic cocrystal formation. High packing coefficient is shown to be a constant among the successful coformers in the set and is utilized to directly target two more successful coformers, bypassing the need for a large screening group.

Andrew J. Bennett↗

NASA NTRS1992

Rhenium-osmium-isotope constraints on the age of iron meteorites

Rhenium and osmium concentrations and the osmium isotopic compositions of iron meteorites were determined by negative thermal ionization mass spectrometry. Data for the IIA iron meteorites define an isochron with an uncertainty of approximately +/-31 million years for meteorites about 4500 million years old. Although an absolute rhenium-osmium closure age for this iron group cannot be as precisely constrained because of uncertainty in the decay constant of Re-187, an age of 4460 million years ago is the minimum permitted by combined uncertainties. These age constraints imply that the parent body of the IIAB magmatic irons melted and subsequently cooled within 100 million years after the formation of the oldest portions of chondrites. Other iron meteorites plot above the IIA isochron, indicating that the planetary bodies represented by these iron groups may have cooled significantly later than the parent body of the IIA irons.

Horan, M. F.↗

DOE OSTI2022

Generalized quasiharmonic approximation via space group irreducible derivatives

The quasiharmonic approximation (QHA) is the simplest nontrivial approximation for interacting phonons under constant pressure, bringing the effects of anharmonicity into temperature-dependent observables. Nonetheless, the QHA is often implemented with additional approximations due to the complexity of computing phonons under arbitrary strains, and the generalized QHA, which employs constant stress boundary conditions, has not been completely developed. In this work we formulate the generalized QHA, providing a practical algorithm for computing the strain state and other observables as a function of temperature and true stress. We circumvent the complexity of computing phonons under arbitrary strains by employing irreducible second-order displacement derivatives of the Born-Oppenheimer potential and their strain dependence, which are efficiently and precisely computed using the lone irreducible derivative approach. We formulate two complementary strain parametrizations: a discretized strain grid interpolation and a Taylor series expansion in symmetrized strain. We illustrate our approach by evaluating the temperature and pressure dependence of select elastic constants and the thermal expansion in thoria (ThO 2 ) using density functional theory with three exchange-correlation functionals. The QHA results are compared to our measurements of the elastic constant tensor using time-domain Brillouin scattering and inelastic neutron scattering. Our irreducible derivative approach simplifies the implementation of the generalized QHA, which will facilitate reproducible, data-driven applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2003

The relation of motion sickness to the spatial-temporal properties of velocity storage

Tilting the head in roll to or from the upright while rotating at a constant velocity (roll while rotating, RWR) alters the position of the semicircular canals relative to the axis of rotation. This produces vertical and horizontal nystagmus, disorientation, vertigo, and nausea. With recurrent exposure, subjects habituate and can make more head movements before experiencing overpowering motion sickness. We questioned whether promethazine lessened the vertigo or delayed the habituation, whether habituation of the vertigo was related to the central vestibular time constant, i.e., to the time constant of velocity storage, and whether the severity of the motion sickness was related to deviation of the axis of eye velocity from gravity. Sixteen subjects received promethazine and placebo in a double-blind, crossover study in two consecutive 4-day test series 1 month apart, termed series I and II. Horizontal and vertical eye movements were recorded with video-oculography while subjects performed roll head movements of approx. 45 degrees over 2 s to and from the upright position while being rotated at 138 degrees /s around a vertical axis. Motion sickness was scaled from 1 (no sickness) to an endpoint of 20, at which time the subject was too sick to continue or was about to vomit. Habituation was determined by the number of head movements that subjects made before reaching the maximum motion sickness score of 20. Head movements increased steadily in each session with repeated testing, and there was no difference between the number of head movements made by the promethazine and placebo groups. Horizontal and vertical angular vestibulo-ocular reflex (aVOR) time constants declined in each test, with the declines being closely correlated to the increase in the number of head movements. The strength of vertiginous sensation was associated with the amount of deviation of the axis of eye velocity from gravity; the larger the deviation of the eye velocity axis from gravity, the more severe the motion sickness. Thus, promethazine neither reduced the nausea associated with RWR, nor retarded or hastened habituation. The inverse relationship between the aVOR time constants and number of head movements to motion sickness, and the association of the severity of motion sickness with the extent, strength, and time of deviation of eye velocity from gravity supports the postulate that the spatiotemporal properties of velocity storage, which are processed between the nodulus and uvula of the vestibulocerebellum and the vestibular nuclei, are likely to represent the source of the conflict responsible for producing motion sickness.

NASA Discipline Neuroscience↗

NASA NTRS2023

An Accelerated Life Testing Dataset for Lithium-Ion Batteries With Constant and Variable Loading Conditions

The dataset repository is organized into three main folders, each containing one group of life cycled battery packs. Within each folder individual battery packs own their dedicated csv file for continuous data logging, which are named with their respective battery pack number. The folders are named: - regular_alt_batteries: Containing one csv file for each battery pack cycled at the same load level or load range throughout lifetime - recommissioned_batteries: Containing one csv file for each battery pack cycled at different load levels at varying life stages - second_life_batteries: Containing one csv file for each second life battery pack cycled at constant current througout the second life

Li-ion Battery↗

DOE OSTI2023

Numerical modeling of hydrogen mixing in a direct-injection engine fueled with gaseous hydrogen

Hydrogen is considered as one of the most promising options to achieve effective decarbonization of the energy and transportation sectors. As such, it has recently been receiving increasing attention because of its promising potential as an energy carrier for advanced energy and propulsion systems. With a focus on internal combustion engines, direct injection (DI) of gaseous hydrogen during the compression stroke offers great potential for high engine efficiency and specific power while reducing the risk of backfiring and pre-ignition issues. Therefore, many experimental and numerical efforts have recently been dedicated to understanding the physical and chemical behaviors of hydrogen in engine during mixing and combustion. This study focuses on computational fluid dynamics (CFD) modeling of the hydrogen DI process in a hydrogen optical research engine. Under the conditions studied, gaseous hydrogen is injected into the combustion chamber via a centrally located single-hole injector at a pressure of 100 bar. Two configurations, namely low-and high-tumble, are investigated to understand the impact of different in-cylinder flow patterns on the fuel-air mixture preparation. Simulations are carried out using the commercial CFD software CONVERGE. Here, the in-cylinder turbulence is modeled with an unsteady Reynolds-averaged Navier-Stokes (URANS) formulation closed by the renormalization group (RNG) k-ε model. Several numerical methods and model constants, including but not limited to turbulent Schmidt number, are evaluated. The numerical results are systematically compared against experimental measurements of velocity and hydrogen concentration fields on the vertical center plane to assess the performance of the CFD model, unveil the physics of hydrogen mixing, and establish best practices for modeling hydrogen DI under relatively high injection pressure conditions.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

Self-Assembled Bolaamphiphile-Based Organic Nanotubes as Efficient Cu(II) Ion Adsorbents

Self-assembled organic nanotubes (ONTs) have been actively examined for various applications such as chemical separations and catalysis owing to their well-defined tubular nanostructures with distinct chemical environments at the wall and internal/external surfaces. Adsorption of heavy metal ions onto ONTs plays an essential role in many of these applications, but it has rarely been assessed quantitatively. Herein, we investigated interactions between Cu 2+ and single-/quadruple-wall bolaamphiphile-based ONTs having inner carboxyl groups with different inner diameters, COOH-ONT 10nm and COOH-ONT 20nm . We first examined the effects of Cu 2+ on their nanotubular structures using SAXS, STEM, and AFM. COOH-ONT 10nm was stable in aqueous Cu 2+ solution in contrast to COOH-ONT 20nm owing to the presence of polyglycine-II-type hydrogen bonding networks within its wall. Subsequently, we studied the Cu 2+ adsorption behavior of COOH-ONT 10nm by monitoring the concentration of unbound Cu 2+ using linear sweep anodic stripping voltammetry. The Cu 2+ adsorption was quick, attributable to efficient Cu 2+ partitioning through the open ends of the ONT, followed by fast Cu 2+ diffusion in the uniform, relatively large nanochannel. More importantly, the Cu 2+ adsorption capacity and affinity of COOH-ONT 10nm were measured at different pH using the Langmuir adsorption model. The adsorption capacity was similar at the pH range examined, showing the participation of approximately 25% of the inner carboxyl groups in the adsorption. The adsorption affinity increased with pH, indicating the essential role of the deprotonated carboxyl groups in the Cu 2+ adsorption. Most interestingly, the Langmuir adsorption constant was significantly higher than those of previously reported synthetic adsorbents and planar monolayer based on carboxyl binding sites. The high Cu 2+ affinity of the ONT was attributable to the highly dense binding sites on the well-defined nanoscale concave structure of the inner channel. Furthermore, these results provide a valuable guideline to designing self-assembled nanomaterials for efficient chemical separations, detection, and catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1974

On the passage of radiation through inhomogeneous, moving media. VIII - Ray paths and fluxes in a plane differentially sheared medium

We give a detailed discussion of the group-velocity ray paths in a plane differentially sheared medium with constant index of refraction as measured by a local inertial observer. For a given velocity profile the numerical ray paths are presented graphically for several representative cases. Assuming that the medium has a volume emissivity and that a given flux of radiation is incident at the base of the medium, the flux of radiation leaving the slab as a function of exit angle is calculated and presented in the same representative cases. Peaks and discontinuities in the flux generally appear at given exit angles, but their locations and the half-widths of the peaks depend sensitively on the index of refraction.

Lee, M. A.↗

NASA NTRS1986

Computer-Aided Modeling and Analysis of Power Processing Systems (CAMAPPS). Phase 1: Users handbook

The EASY5 macro component models developed for the spacecraft power system simulation are described. A brief explanation about how to use the macro components with the EASY5 Standard Components to build a specific system is given through an example. The macro components are ordered according to the following functional group: converter power stage models, compensator models, current-feedback models, constant frequency control models, load models, solar array models, and shunt regulator models. Major equations, a circuit model, and a program listing are provided for each macro component.

Kim, S.↗

NASA NTRS1987

Microwave emission above steady and moving sunspots

Two-dimensional maps of radio brightness temperature and polarization, computed assuming thermal emission with free-free and gyroresonance absorption, are compared with observations of active region 2502, performed at Westerbork at lambda = 6.16 cm during a period of 3 days in June 1980. The computation is done assuming a homogeneous model in the whole field of view and a force-free extrapolation of the photospheric magnetic field observed at MSFC with a resolution of 2.34 arcsec. The mean results are the following: (1) a very good agreement is found above the large leading sunspot of the group, assuming a potential extrapolation of the magnetic field and a constant conductive flux in the transition region ranging from .2 x 10 to the 6th to 10 to the 7th erg/sq cm 5; (2) a strong radio source, associated with a new-born moving sunspot, cannot be ascribed to thermal emission. It is suggested that this source may be due to synchrotron radiation by mildly relativistic electrons accelerated by resistive instabilities occurring in the evolving magnetic configuration. An order-of-magnitude computation of the expected number of accelerated particles seems to confirm this hypothesis.

Drago, F. Chiuderi↗

NASA NTRS1992

Free-volume characteristics of epoxies

Positron annihilation spectroscopy was used to measure free-volume characteristics of selected epoxies. Fluorene resins, a new family of high-temperature thermosetting resins, were selected as the test medium. Experimental results indicate that the free-volume cell size V sub f varies with the molecular weight between the cross-links M sub c according to an equation of the form V sub f = AM sub c sup B, where A and B are structural constants. In two of the samples, the concentration of bulky fluorene groups was increased in the network backbone by replacement of some of the conventional bisphenol A epoxy resin with fluorene-derived epoxy resin. This resulted in an increase in their glass transition temperature for a given level of cross-linking. It was found that in these samples, the Doppler broadening of the annihilation peak decreases with the increasing fluorene content, presumably due to enhanced damping of the chain motions.

Singh, Jag J.↗

NASA NTRS1993

Three views of two giant streams: Aligned observations at 1 AU, 4.6 AU, and 5.9 AU

A close radial alignment of the Interplanetary Monitoring Platform (IMP) and Pioneers 10 and 11 spacecraft in 1974 allows a nearly unambiguous, empirical study of the radial evolution of the interaction regions of two contrasting weak and strong, giant streams. The study confirms the main aspects of the standard model of corotating interaction regions: an expanding and strengthening pair of forward-reverse shocks sandwich a stream interface. It adds the follwoing concepts: stream group speed--the speed at the stream interface tends to remain constant with distance; corotating stream complexes--interaction regions can include features like noncompressive density enhancements and streamer belts; secondary interfaces--a possible precursor to the reverse shock; and emerging stream interfaces--one emerged between 1 AU and 4.6 AU. The study uses the conservation specific entropy to correlate features between spacecraft.

Siscoe, George↗

NASA NTRS1966

Breakup of Droplets in an Accelerating Gas Flow

A study of droplet breakup phenomena by an accelerating gas flow is described. The phenomena are similar to what propellant droplets experience when exposed to accelerating combustion gas flow in a rocket engine combustion zone. Groups of several dozen droplets in the 100-10 750-micron-diameter range were injected into a flowing inert gas in a transparent rectangular nozzle. Motion photography of the behavior of the droplets at various locations in the accelerating gas flow has supplied quantitative and qualitative data on the breakup phenomena which occur under conditions similar to those found in large rocket engine combustors. A blowgun injection device, used to inject very small amounts of liquid at velocities of several hundred feet per second into a moving gas stream, is described. The injection device was used to inject small amounts of liquid RP-1 and water into the gas stream at a velocity essentially equal to the gas velocity where the group of droplets was allowed to stabilize its formation in a constant area section before entering the convergent section of the transparent nozzle. Favorable comparison with the work of previous investigators who have used nonaccelerating gas flow is found with the data obtained from this study with accelerating gas flow. The criterion for the conditions of minimum severity required to produce shear-type droplet breakup in an accelerating gas flow is found to agree well with the criterion previously established at Rocketdyne for breakup in nonaccelerating flow. An extension of the theory of capillary surface wave effects during droplet breakup is also presented. Capillary surface waves propagating in the surface of the droplet, according to classical hydrodynamical laws, are considered. The waves propagate tangentially over the surface of the droplet from the forward stagnation point to the major diameter. Consideration of the effects of relative gas velocity on the amplitude growth of these waves allows conclusions to be made regarding rates of the droplet breakup processes and total time of the breakup process.

Dickerson, R. A.↗

DOE OSTI2024

High-Pressure Rate Rules for Ether Alkylperoxy Radical Isomerization

The first isomerization reaction of an alkylperoxy (RO 2 ) radical holds significant importance in low-temperature oxidation, as it governs the branching ratios of the hydroperoxyalkyl (QOOH) radicals, which influence the competition between the chain-propagation and chain-branching reactions. In this study, we systematically calculated high-pressure rate rules for the RO 2 isomerization reaction of monoethers, exploring 5-, 6-, 7-, and 8-membered ring transition states. Primary, secondary, and tertiary carbon sites, where both the abstracting peroxy group and the abstracted hydrogen are located, were considered, with particular emphasis on distinguishing between secondary carbons adjacent (alpha) and nonadjacent to the ether functional group. Using the G4//B3LYP/6-311++G(2df,2pd) level of theory and the transition state theory, we estimated the rate constants and the Arrhenius coefficient for over 120 possible isomerization reactions. We examined the effect of ring size and ring atoms, revealing that 6- and 7-membered ring isomerizations were generally the fastest. The impact of the ether functional group on transition states was investigated by comparing reactions with identical ring size, peroxy, and radical positions, but with the ether functional group positioned either outside (i.e., out) or inside (i.e., in) the transition state ring, leading to differences in the rate constants. When comparing to analogous alkane rate constants, differences of up to an order of magnitude were observed, underscoring the need for caution when assigning rate rules by analogy. We applied our rate constants in the di-iso-butyl ether kinetic model and evaluated their influence on low-temperature chemistry finding that they altered the branching ratios by up to a factor of 9, highlighting the significance of site-specific rate constants for more accurate low-temperature modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1996

Electrochemical Impedance Spectroscopy of Conductive Polymer Coatings

Electrochemical impedance spectroscopy (EIS) was used to investigate the corrosion protection performance of twenty nine proprietary conductive polymer coatings for cold rolled steel under immersion in 3.55 percent NaCl. Corrosion potential as well as Bode plots of the data were obtained for each coating after one hour immersion, All coatings, with the exception of one, have a corrosion potential that is higher in the positive direction than the corrosion potential of bare steel under the same conditions. Group A consisted of twenty one coatings with Bode plots indicative of the capacitive behavior characteristic of barrier coatings. An equivalent circuit consisting of a capacitor in series with a resistor simulated the experimental EIS data for these coatings very well. Group B consisted of eight coatings that exhibited EIS spectra showing an inflection point which indicates that two time constants are present. This may be caused by an electrochemical process taking place which could be indicitive of coating failing. These coatings have a lower impedance that those in Group A.

Calle, Luz Marina↗