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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Desolvation Processes in Channel Solvates of Niclosamide

The antiparasitic drug niclosamide (NCL) is notable for its ability to crystallize in multiple 1:1 channel solvate forms, none of which are isostructural. Here, using a combination of time-resolved synchrotron powder X-ray diffraction and thermogravimetry, the process-induced desolvation mechanisms of methanol and acetonitrile solvates are investigated. Structural changes in both solvates follow a complicated molecular-level trajectory characterized by a sudden shift in lattice parameters several degrees below the temperature where the desolvated phase first appears. Model fitting of kinetic data obtained under isothermal heating conditions suggests that the desolvation is rate-limited by the nucleation of the solvent-free product. The desolvation pathways identified in these systems stand in contrast to previous investigations of the NCL channel hydrate, where water loss by diffusion initially yields an anhydrous isomorph that converts to the thermodynamic polymorph at significantly higher temperatures. Taking the view that each solvate lattice is a unique “pre-organized” precursor, a comparison of the pathways from different starting topologies to the same final product provides the opportunity to reevaluate assumptions of how various factors (e.g., solvent binding strength, density) influence solid-state desolvation processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Astrophysical Explosions Revisited: Collisionless Coupling of Debris to Magnetized Plasma

The coupling between a rapidly expanding cloud of ionized debris and an ambient magnetized plasma is revisited with a hybrid (kinetic ion/fluid electron) simulation code that allows a study over a wide range of plasma parameters. Over a specified range of hypothetical conditions, simple scaling laws in terms of the total debris mass and explosion speed are derived and verified for the maximal size of the debris cloud and the fraction of debris that free-streams from the burst along the magnetic field. Furthermore, the amount of debris that escapes from the burst with minimal coupling to the background magnetic field increases with the debris gyroradius. Test cases with two different debris species—including a heavy minority species with a relatively large gyroradius—highlight how the collisionless coupling of the debris depends on the single particle trajectories as well as the overall conservation of energy and momentum.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Calculations of theoretical efficiencies for electrochemically-mediated tandem solar water splitting as a function of bandgap energies and redox shuttle potential

Tandem Z-scheme solar water splitting devices composed of two light-absorbers that are connected electrochemically by a soluble redox shuttle constitute a promising technology for cost-effective solar hydrogen production. In this work, efficiency limits of these devices are modeled by combining the detailed-balance model of the light-absorbers with Butler–Volmer electron-transfer kinetics. The impacts of the redox shuttle thermodynamic potential, light-absorber bandgaps, and electrocatalytic parameters on the solar-to-hydrogen conversion (STH) efficiency are modeled. We report that the thermodynamic potential of the redox shuttle with respect to the hydrogen and oxygen evolution potentials has a direct effect on both the STH efficiency and the optimal tandem light-absorber bandgaps needed to achieve the maximum possible STH efficiency. At 1 sun illumination and assuming ideal and optimally selective electrocatalytic parameters, the STH efficiency varies from a minimum of 21%, for a redox shuttle potential of 0 V vs. the reversible hydrogen electrode (RHE), to a maximum of 34%, for a redox shuttle potential of either 0.36 V or 1.06 V vs. RHE. To attain the maximum possible STH efficiency of 34%, the light-absorber bandgaps must be 1.53 eV and 0.75 eV, yet the optimal redox shuttle potential depends on whether the hydrogen-evolving or oxygen-evolving light-absorber has the larger bandgap. Results also underscore the importance of optimizing the absorptance of the top light-absorber, which enables large STH efficiencies to be achieved with a wider range of bandgap combinations. Moreover, given the large overpotentials for the oxygen evolution reaction and reasonably low overpotentials for most redox shuttle reactions, the tandem design is more efficient than a single light-absorber design even when the potential of the redox shuttle exceeds 1.23 V vs. RHE. When the exchange current density of the redox shuttle reactions is as low as 10 -5 mA cm -2 , STH efficiencies as large as 22% are still achievable as long as selective catalysis and optimal redox shuttle potential are assumed, suggesting that even slow redox shuttle reactions may not limit the practicality of these devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Hybrid equilibria of field-reversed configurations

This paper presents the first detailed model of hybrid equilibria relevant to field-reversed configuration experiments, leading to a system of equations that are solved for a range of fully two-dimensional equilibria. Several features of these highly kinetic objects are explored. The range of equilibria is primarily dependent on a single free parameter related to the flow shear. The level of flow shear has a profound effect on the structure, especially near the separatrix. This likely has a strong influence on both stability and transport properties. Higher flow shear is favorable in every respect. The key factor behind the influence of flow shear is the relatively rapid end loss of unconfined ions. Differences between hybrid and static-fluid equilibrium models are highlighted, including the integrity of surface functions, the effect of flow shear, and the scrape-off layer thickness.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Modeling of long-term defect evolution in heavy-ion irradiated 3C-SiC: Mechanism for thermal annealing and influences of spatial correlation

Based on the parameters from published ab-initio theoretical and experimental studies, and combining molecular dynamics and kinetic Monte Carlo simulations, a framework of multi-scale modeling is developed to investigate the long-term evolution of displacement damage induced by heavy-ion irradiation in cubic silicon carbide. The isochronal annealing after heavy ion irradiation is simulated, and the annealing behaviors of total interstitials are found consistent with previous experiments. Two annealing stages below 600 K and one stage above 900 K are identified. The mechanisms for those recovery stages are interpreted by the evolution of defects. The influence of the spatial correlation in primary damage on defect recovery has been studied and found insignificant when the damage dose is high enough, which sheds light on the applicability of approaches with mean-field approximation to the long-term evolution of damage by heavy ions in SiC.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Kinetic Alfven solitary waves in a magnetized plasma with superthermal electrons

A study of the ion Larmor radius effects on the solitary kinetic Alfven waves (SKAWs) in a magnetized plasma with superthermal electrons is presented by employing the kinetic theory. The linear dispersion relation of SKAW is shown to depend on the superthermal parameter κ, ion to electron temperature ratio, and the angle of wave propagation. Using the Sagdeev potential approach, the energy balance equation has been derived to study the dynamics of SKAWs. The effects of various plasma parameters are investigated for the propagation of SKAWs. It is shown that only compressive solitons can exist and in the Maxwellian limit our results are in good agreement with previous studies. Further, the characteristics of small amplitude SKAWs are investigated. Present study could be useful for the understanding of SKAWs in a low β plasma in astrophysical environment, where particle distributions are superthermal in nature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Predicting the viscoplastic response of a crystallizing fluoropolymer using transient network theory

We employ a molecular theory of dynamic polymer networks to describe the viscoplastic response of rubbery FK-800, a thermoplastic copolymer of chlorotrifluoroethylene and vinylidene fluoride, over a broad range of thermal histories. The kinetics of crystallization at different annealing temperatures was modeled using a modified Avrami equation, whose parameters were found to evolve through simple relationships over the full temperature range of the rubbery state. By fitting experimental compression data, we discovered predictable trends for the physical parameters in our mechanical model over its full range of crystallinities (up to ≈20%) and provided insights based on molecular-level physics to justify them. Using this, an end-to-end model was developed to predict the yielding and post-yield behavior of rubbery FK-800 for arbitrary thermal histories. The model successfully predicted the highly nonlinear evolution of characteristic mechanical signatures (stiffness, yield point, post-yield drop) throughout the crystallization process. A statistical analysis of variance test was employed to determine that the measured variations in the mechanical behavior of rubbery FK-800 are primarily dictated by its fractional crystallinity, regardless of its exact thermal history.

36 MATERIALS SCIENCE↗
DOE OSTI2013

A SEARCH FOR 95 GHz CLASS I METHANOL MASERS IN MOLECULAR OUTFLOWS

We have observed a sample of 288 molecular outflow sources including 123 high-mass and 165 low-mass sources in order to search for class I methanol masers at the 95 GHz transition and to investigate the relationship between outflow characteristics and class I methanol maser emission with the Purple Mountain Observatory 13.7 m radio telescope. Our survey detected 62 sources with 95 GHz methanol masers above a 3{sigma} detection limit, which includes 47 high-mass sources and 15 low-mass sources. Therefore, the detection rate is 38% for high-mass outflow sources and 9% for low-mass outflow sources, suggesting that class I methanol masers are relatively easily excited in high-mass sources. There are 37 newly detected 95 GHz methanol masers (including 27 high-mass and 10 low-mass sources), 19 of which are newly identified (i.e., first identification) class I methanol masers (including 13 high-mass and 6 low-mass sources). A statistical analysis of the distributions of maser detections with the outflow parameters reveals that the maser detection efficiency increases with the outflow properties (e.g., mass, momentum, kinetic energy, mechanical luminosity of outflows, etc.). Systematic investigations of the relationships between the intrinsic luminosity of methanol masers and the outflow properties (including mass, momentum, kinetic energy, bolometric luminosity, and mass-loss rate of the central stellar sources) indicate a positive correlation. This further supports the theory that class I methanol masers are collisionally pumped and associated with shocks when outflows interact with the surrounding ambient medium.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Differentiating G-inflation from string gas cosmology using the effective field theory approach

A characteristic signature of String Gas Cosmology is primordial power spectra for scalar and tensor modes which are almost scale-invariant but with a red tilt for scalar modes but a blue tilt for tensor modes. This feature, however, can also be realized in the so-called G-inflation model, in which Horndeski operators are introduced which leads to a blue tensor tilt by softly breaking the Null Energy Condition. In this article we search for potential observational differences between these two cosmologies by performing detailed perturbation analyses based on the Effective Field Theory approach. Our results show that, although both two models produce blue tilted tensor perturbations, they behave differently in three aspects. Firstly, String Gas Cosmology predicts a specific consistency relation between the index of the scalar modes n {sub s} and that of tensor ones n {sub t} , which is hard to be reproduced by G-inflation. Secondly, String Gas Cosmology typically predicts non-Gaussianities which are highly suppressed on observable scales, while G-inflation gives rise to observationally large non-Gaussianities because the kinetic terms in the action become important during inflation. However, after finely tuning the model parameters of G-inflation it is possible to obtain a blue tensor spectrum and negligible non-Gaussianities with a degeneracy between the two models. This degeneracy can be broken by a third observable, namely the scale dependence of the nonlinearity parameter, which vanishes for G-inflation but has a blue tilt in the case of String Gas Cosmology. Therefore, we conclude that String Gas Cosmology is in principle observationally distinguishable from the single field inflationary cosmology, even allowing for modifications such as G-inflation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Ultimate Suppression of Thermal Transport in Amorphous Silicon Nitride by Phononic Nanostructure.

Engineering the thermal conductivity of amorphous materials is highly essential for the thermal management of future electronic devices. Here, we demonstrate the impact of ultrafine nanostructuring on the thermal conductivity reduction of amorphous silicon nitride (a-Si3N4) thin films, in which the thermal transport is inherently impeded by the atomic disorders. Ultrafine nanostructuring with feature sizes below 20 nm allows us to fully suppress contribution of the propagating vibrational modes (propagons), leaving only the diffusive vibrational modes (diffusons) to contribute to thermal transport in a-Si3N4. A combination of the phonon-gas kinetics model and the Allen-Feldmann theory reproduced the measured results without any fitting parameters. The thermal conductivity reduction was explained as extremely strong diffusive boundary scattering of both propagons and diffusIons. These findings give rise to substantial tunability of thermal conductivity of amorphous materials, which enables us to provide better thermal solutions in microelectronic devices.

Tambo, Naoki↗
DOE OSTI2019

Variation of a Defect Structure of Lithium Tetraborate (Li{sub 2}B{sub 4}O{sub 7}) in an External Electric Field

The variation of a defect structure of a lithium tetraborate single crystal under the influence of a high-strength external electric field applied along polar direction [001] has been studied by the X-ray diffraction (XDR) method. The conductivity kinetics has been measured; it is found to agree with changes in the diffraction peak parameters. Application of the electric field with the strength of 300–500 V/mm leads to a sharp broadening of the rocking curve and the increase in the integral intensity by several times, but the curve position and shape are only slightly changed. At higher electric fields from 500 to 1500 V/mm, the process of broadening the curve slows down; however, the shape asymmetry appears and the peak shifts to smaller angles, which is due to an increase in the lattice parameter along axis c. In this case, the changes become irreversible, since the distorted structure is partially recovered with a very low rate (for several months). Two types of the dependences of the rocking curves parameters variation under an external field are interpreted as the manifestation of two mechanisms of the ionic conduction due to mobile lithium (Li{sup +}) ions at low fields and oxygen vacancies (V{sub O}{sup 2+}) at higher fields. The charge carrier migration leads to an increase in the defect concentration and structural changes in a near-surface crystal region. The obtained results have practical importance from the point of view of the controlled change in the defect structure in the crystals with ionic conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

Theory of low transitions in CO discharge lasers

A self consistent theoretical model which couples the electron and heavy particle finite rate kinetics with the optical and fluid dynamic processes has been employed to identify the various parameters and explain the mechanism responsible for producing low lying transitions in slow flowing CO lasers. It is found that lasing on low lying transitions can be achieved at low temperatures for low pressures (or low flow rates) together with high partial pressures of the He and N2. The role of N2 has been identified as an additive responsible for reducing the electron temperature to a range where the transfer of electrical power to the lower vibrational modes of CO is optimum.

Sidney, B. D.↗
NASA NTRS1983

Protons from the decay of solar flare neutrons

Fluxes of energetic protons in interplanetary space are observed which are interpreted as the decay products of neutrons generated in a solar flare on 1982 June 3 at 11:42 UT. Because of the particular geometry of this event the spectrum of neutrons escaping from the sun can be constructed with great accuracy in the kinetic energy range 10-100 MeV. The resulting spectrum places stringent constraints on the free parameters used in previously published calculations of neutron production in solar flares. An estimate is made of the diffusion mean free path of charged particles in the interplanetary medium in a new way.

Evenson, P.↗
NASA NTRS1986

Neutral hydrogen cloud distances and the strength of the interstellar magnetc field

If HI clouds exist in pressure equilibrium in an environment where gas pressure is a function of z-distance and if HI cloud density is a function of z-distance, it can be shown that a quantity called the Virial Measure is a function of z-distance. The Virial Measure is that distance at which a cloud would be in gravitational equilibrium if its internal kinetic temperature is indicated by profile linewidth. The Virial Measure is derived from observed cloud parameters and has been calibrated for clouds of known distance so that it can be used to determine the distance to other HI clouds. The magnitude of various terms in the virial equation can thus be derived for several hundred HI clouds. It is demonstrated that the strength of the interstellar magnetic field is a function of z-distance.

Verschuur, G. L.↗
NASA NTRS1984

Production of large-particle-size monodisperse latexes

The research program achieved two objectives: (1) it has refined and extended the experimental techniques for preparing monodisperse latexes in quantity on the ground up to a particle diameter of 10 microns; and (2) it has demonstrated that a microgravity environment can be used to grow monodisperse latexes to larger sizes, where the limitations in size have yet to be defined. The experimental development of the monodisperse latex reactor (MLR) and the seeded emulsion polymerizations carried out in the laboratory prototype of the flight hardware, as a function of the operational parameters is discussed. The emphasis is directed towards the measurement, interpretation, and modeling of the kinetics of seeded emulsion polymerization and successive seeded emulsion polymerization. The recipe development of seeded emulsion polymerization as a function of particle size is discussed. The equilibrium swelling of latex particles with monomers was investigated both theoretically and experimentally. Extensive studies are reported on both the type and concentration of initiators, surfactants, and inhibitors, which eventually led to the development of the flight recipes. The experimental results of the flight experiments are discussed, as well as the experimental development of inhibition of seeded emulsion polymerization in terms of time of inhibition and the effect of inhibitors on the kinetics of polymerization.

Vanderhoff, J. W.↗
NASA NTRS1997

NASA's Upper Atmosphere Research Program UARP and Atmospheric Chemistry Modeling and Analysis Program (ACMAP): Research Summaries 1994 - 1996. Report to Congress and the Environmental Protection Agency

Under the mandate contained in the FY 1976 NASA Authorization Act, the National Aeronautics and Space Administration (NASA) has developed and is implementing a comprehensive program of research, technology, and monitoring of the Earth's upper atmosphere, with emphasis on the stratosphere. This program aims at expanding our understanding to permit both the quantitative analysis of current perturbations as well as the assessment of possible future changes in this important region of our environment. It is carried out jointly by the Upper Atmosphere Research Program (UARP) and the Atmospheric Chemistry Modeling and Analysis Program (ACMAP), both managed within the Science Division in the Office of Mission to Planet Earth at NASA. Significant contributions to this effort are also provided by the Atmospheric Effects of Aviation Project (AEAP) of NASA's Office of Aeronautics. The long-term objectives of the present program are to perform research to: understand the physics, chemistry, and transport processes of the upper atmosphere and their effect on the distribution of chemical species in the stratosphere, such as ozone; understand the relationship of the trace constituent composition of the lower stratosphere and the lower troposphere to the radiative balance and temperature distribution of the Earth's atmosphere; and accurately assess possible perturbations of the upper atmosphere caused by human activities as well as by natural phenomena. In compliance with the Clean Air Act Amendments of 1990, Public Law 101-549, NASA has prepared a report on the state of our knowledge of the Earth's upper atmosphere, particularly the stratosphere, and on the progress of UARP and ACMAP. The report for the year 1996 is composed of two parts. Part 1 summarizes the objectives, status, and accomplishments of the research tasks supported under NASA UARP and ACMAP in a document entitled, Research Summary 1994-1996. Part 2 is entitled Present State of Knowledge of the Upper Atmosphere 1996.- An Assessment Report. It consists primarily of the Executive Summary and Chapter Summaries of the World Meteorological Organization Global Ozone Research and Monitoring Project Report No. 37, Scientific Assessment of Ozone Depletion: 1994, sponsored by NASA, the National Oceanic and Atmospheric Administration (NOAA), the UK Department of the Environment, the United Nations Environment Program, and the World Meteorological Organization. Other sections of Part 11 include summaries of the following: an Atmospheric Ozone Research Plan from NASA's Office of Mission to Planet Earth; summaries from a series of Space Shuttle-based missions and two recent airborne measurement campaigns; the Executive Summary of the 1995 Scientific Assessment of the Atmospheric Effects of Stratospheric Aircraft, and the most recent evaluation of photochemical and chemical kinetics data (Evaluation No. 12 of the NASA Panel for Data Evaluation) used as input parameters for atmospheric models.

Kendall, Rose↗
DOE OSTI2012

Evolution of the distribution function of Au nanoparticles in a liquid under the action of laser radiation

Fragmentation of nanoparticles in a liquid under the action of pulsed laser heating is studied theoretically and experimentally. Fragmentation is simulated by solving the kinetic equation for the nanoparticles size distribution function, taking into account the temperature dependence of the thermophysical parameters of the medium. It is shown that fragmentation occurs after separation of smaller fragments from a molten nanoparticle. The simulation results are in good agreement with experimental data obtained in the fragmentation of gold nanoparticles irradiated in water by a copper vapour laser with a peak radiation intensity of about 10{sup 6} W cm{sup -2}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A versatile synthetic approach for the synthesis of CoO, CoxC, and Co based nanocomposites: tuning kinetics and crystal phase with different polyhydric alcohols

The solution synthesis of magnetic nanoparticles allows for precise control of a particle's shape, size, and crystal phase on the nanoscale, key parameters in tuning the intrinsic magnetic properties of nanoparticles. In this study, we investigate the role of polyhydric alcohols for the solution synthesis of cobalt carbide nanoparticles, a newly discovered hard ferromagnetic material. The oxidative stability of the polyhydric alcohol at reaction temperatures plays a significant role in the kinetics of carbide formation, as well as the phase produced (Co2C vs. Co3C). By tuning the oxidation rate of the polyhydric alcohol, composites of CoO, CoxC, and Co phases can be produced, allowing for magnetic composites comprised of anti ferromagnetic, hard ferromagnetic and soft ferromagnetic phases.

Huba, ZJ↗