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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Quantification of Efficiency of Beneficiation of Lunar Regolith

Electrostatic beneficiation of lunar regolith is being researched at Kennedy Space Center to enhance the ilmenite concentration of the regolith for the production of oxygen in in-situ resource utilization on the lunar surface. Ilmenite enrichment of up to 200% was achieved using lunar simulants. For the most accurate quantification of the regolith particles, standard petrographic methods are typically followed, but in order to optimize the process, many hundreds of samples were generated in this study that made the standard analysis methods time prohibitive. In the current studies, X-ray photoelectron spectroscopy (XPS) and Secondary Electron microscopy/Energy Dispersive Spectroscopy (SEM/EDS) were used that could automatically, and quickly, analyze many separated fractions of lunar simulant. In order to test the accuracy of the quantification, test mixture samples of known quantities of ilmenite (2, 5, 10, and 20 wt%) in silica (pure quartz powder), were analyzed by XPS and EDS. The results showed that quantification for low concentrations of ilmenite in silica could be accurately achieved by both XPS and EDS, knowing the limitations of the techniques. 1

Trigwell, Steve↗
DOE OSTI2020

Spatial Profile and Beam Composition Measurements of the University of Wisconsin Inertial Electrostatic Confinement Laboratory Ion Guns

A custom designed and manufactured set of ion guns has been in use at the University of Wisconsin Inertial Electrostatic Confinement Laboratory for both beam fusion experiments and materials implantation experiments. For the first time, direct measurements have been made on the spatial profiles and the mass compositions of He and D ion beams produced by these guns. The results validate assumptions about the circular Gaussian spatial profiles for both He and D ion beams. Mass composition measurements of the He beam identified a pressure-dependent minimum impurity content of 15% N + . The D beam contained relative molecular ion fractions of 58% D 3 + , 32% D 2 + , and 10% D + with impurities of 15% to 20% D 2 O + . Finally, a new experimental platform, the Ion Beam and Source Analyzer was developed to perform these experiments on the ion guns used to irradiate candidate fusion materials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1984

Volcanic impact on stratospheric aerosol chemistry

Samples collected by the National Center for Atmospheric Research (NCAR) using the multiple-filter sampler on the U-2 were analyzed. The sampler is capable of exposing a number of 110 mm filters in sequence to ram air flow. Two types of filters, IPC cellulose and polystrene, were used, both of which have high blank levels for the trace elements determined. The levels of most trace elements in the stratosphere are so low under normal circumstances that none can be seen. Results from the eruption of Mt. St. Helens, a mystery cloud (probably volcanic in origin) in 1982, and the El Chichonal eruption in 1983 are discussed. To improve the collection of particles for chemical analysis, a new sampling system was developed for use on the U-2. The sampler consisted of an electrostatic collection of particles between 1 and 0.001 micron diameter dierectly onto electron microscopic grids, followed by a thermal precipitation for the smaller particles. The system was built and tested in the laboratory, but never flown on the U-2.

Zoller, W. H.↗
DOE OSTI2020

Basic factors for acquiring, correcting, and interpreting probe current-voltage characteristic in moderate-collisional plasma for determining electron energy distribution

Methods for inferring the electron distribution function (EDF) from a probe current–voltage trace are reviewed for moderate-collisional plasma. The explicit accounting of particle collisions, modeling sheath depletion, and electron refilling processes are rarely performed when analyzing probe measurements, yet they are critical for regime validity, EDF-profile accuracy, and space potential quantification precision. Furthermore, the advantages, limitations, and utilization of large-area wall probes in moderate-collisional plasma, capable of highly resolved indications of energetic electrons in plasma, are outlined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2009

Subcritical-Water Extraction of Organics from Solid Matrices

An apparatus for extracting organic compounds from soils, sands, and other solid matrix materials utilizes water at subcritical temperature and pressure as a solvent. The apparatus, called subcritical water extractor (SCWE), is a prototype of subsystems of future instrumentation systems to be used in searching for organic compounds as signs of past or present life on Mars. An aqueous solution generated by an apparatus like this one can be analyzed by any of a variety of established chromatographic or spectroscopic means to detect the dissolved organic compound( s). The apparatus can be used on Earth: indeed, in proof-of-concept experiments, SCWE was used to extract amino acids from soils of the Atacama Desert (Chile), which was chosen because the dryness and other relevant soil conditions there approximate those on Mars. The design of the apparatus is based partly on the fact that the relative permittivity (also known as the dielectric constant) of liquid water varies with temperature and pressure. At a temperature of 30 C and a pressure of 0.1 MPa, the relative permittivity of water is 79.6, due to the strong dipole-dipole electrostatic interactions between individual molecular dipoles. As the temperature increases, increasing thermal energy causes increasing disorientation of molecular dipoles, with a consequent decrease in relative permittivity. For example, water at a temperature of 325 C and pressure of 20 MPa has a relative permittivity of 17.5, which is similar to the relative permittivities of such nonpolar organic solvents as 1-butanol (17.8). In the operation of this apparatus, the temperature and pressure of water are adjusted so that the water can be used in place of commonly used organic solvents to extract compounds that have dissimilar physical and chemical properties.

Amashukeli, Xenia↗
DOE OSTI2026

Quantitative SANS and multi-model analysis of spacer-dependent micellization of urea-based gemini surfactants

The micellization behavior of urea-based cationic gemini surfactants was investigated using small-angle neutron scattering (SANS) with multi-model form factor analysis. A homologous series of surfactants with urea group included in the hydrophobic tail and polymethylene spacers consisting of two to ten methylene units was analyzed using three form factor models: a core–shell ellipsoid and two variants of homogeneous ellipsoids. The results from all models show a consistent trend of the micelle structures, confirming that the spacer length critically influences micellar geometry, aggregation number, and hydration. The surfactant with four CH 2 groups in the spacer formed the largest micelles with the highest aggregation number, while longer spacers led to progressively smaller, more compact aggregates. The shell hydration—quantified as the volume fraction of heavy water within the hydrophilic region—decreased systematically with increasing spacer length due to enhanced hydrophobicity of the headgroup-spacer region. Intermicellar interactions, modeled as screened Coulomb interaction using the rescaled mean spherical approximation (RMSA), revealed the strongest electrostatic repulsion for the case of four methylene groups in the spacer, corresponding to the highest micellar charge and largest interparticle spacing. The observed spacer-dependent trends were robust across all modeling approaches, demonstrating that the spacer length serves as a key structural determinant of self-assembly in this type of urea-based gemini systems. These findings provide insight into the design of gemini surfactants with tailored aggregation behavior for applications in drug delivery, nanostructure templating, and solubilization technologies.

Core–shell ellipsoid model↗
DOE OSTI2021

On the Equilibrium Electrostatic Potential and Light-Induced Charge Redistribution in Halide Perovskite Structures

Lead halide perovskites are semiconductor materials which are employed as nonintentionally doped absorbers inserted between two selective carrier transport layers (SCTL), realizing a p-i-n or n-i-p heterojunction. In our study, we have developed and investigated a lateral device, based on methylammonium lead iodide (MAPbI3) in which the p-i-n heterojunction develops in the horizontal direction. Our research suggests that the effective doping level in the MAPbI3 film should be very low, below 1012 cm-3. Along the vertical direction, this doping level is not enough to screen the electric field of the buried heterojunction with the SCTL. The perovskite work function is therefore affected by the work function of the SCTL underneath. From drift-diffusion simulations, we show that intrinsic perovskite-SCTL structures develop mV range surface photovoltages (SPVs) under continuous illumination. However, perovskite-SCTL structures can develop SPVs of hundreds of mV, as confirmed by our measurements. We therefore analyzed the compatibility between low doping and low defect densities in the perovskite layer and such high SPV values using numerical modeling. It is shown that these high SPV values could originate from electronic processes due to large band offsets in the buried perovskite-SCTL heterojunctions, or at the SCTL-transparent conductive oxide (TCO) buried heterojunction. However, such electronic processes can hardly explain the long SPV persistence after switching off the illumination.

defects↗
DOE OSTI2020

Scalable molecular dynamics on CPU and GPU architectures with NAMD

NAMD is a molecular dynamics program designed for high-performance simulations of very large biological objects on CPU- and GPU-based architectures. NAMD offers scalable performance on petascale parallel supercomputers consisting of hundreds of thousands of cores, as well as on inexpensive commodity clusters commonly found in academic environments. It is written in C++ and leans on Charm++ parallel objects for optimal performance on low-latency architectures. NAMD is a versatile, multipurpose code that gathers state-of-the-art algorithms to carry out simulations in apt thermodynamic ensembles, using the widely popular CHARMM, AMBER, OPLS, and GROMOS biomolecular force fields. Here, we review the main features of NAMD that allow both equilibrium and enhanced-sampling molecular dynamics simulations with numerical efficiency. We describe the underlying concepts utilized by NAMD and their implementation, most notably for handling long-range electrostatics; controlling the temperature, pressure, and pH; applying external potentials on tailored grids; leveraging massively parallel resources in multiple-copy simulations; and hybrid quantum-mechanical/molecular-mechanical descriptions. We detail the variety of options offered by NAMD for enhanced-sampling simulations aimed at determining free-energy differences of either alchemical or geometrical transformations and outline their applicability to specific problems. Last, we discuss the roadmap for the development of NAMD and our current efforts toward achieving optimal performance on GPU-based architectures, for pushing back the limitations that have prevented biologically realistic billion-atom objects to be fruitfully simulated, and for making large-scale simulations less expensive and easier to set up, run, and analyze. NAMD is distributed free of charge with its source code at www.ks.uiuc.edu.

high-performance computing↗
DOE OSTI2023

Exploring the formation of gold/silver nanoalloys with gas-phase synthesis and machine-learning assisted simulations

While nanoalloys are of paramount scientific and practical interest, the main processes leading to their formation are still poorly understood. Key structural features in the alloy systems, including the crystal phase, chemical ordering, and morphology, are challenging to control at the nanoscale, making it difficult to extend their use to industrial applications. Here, in this contribution, we focus on the gold/silver system that has two of the most prevalent noble metals and combine experiments with simulations to uncover the formation mechanisms at the atomic level. Nanoparticles were produced using a state-of-the-art inert-gas aggregation source and analyzed using transmission electron microscopy and energy-dispersive X-ray spectroscopy. Machine-learning-assisted molecular dynamics simulations were employed to model the crystallization process from liquid droplets to nanocrystals. Our study finds a preponderance of nanoparticles with five-fold symmetric morphology, including icosahedra and decahedra which is consistent with previous results on mono-metallic nanoparticles. However, we observed that gold atoms, rather than silver atoms, segregate at the surface of the obtained nanoparticles for all the considered alloy compositions. These segregation tendencies are in contrast to previous studies and have consequences on the crystallization dynamics and the subsequent crystal ordering. We finally showed that the underpinning of this surprising segregation dynamics is due to charge transfer and electrostatic interactions rather than surface energy considerations.

36 MATERIALS SCIENCE↗
NASA NTRS1995

Ion Acoustic Wave Frequencies and Onset Times During Type 3 Solar Radio Bursts

Conflicting interpretations exist for the low-frequency ion acoustic (S) waves often observed by ISEE 3 in association with intense Langmuir (L) waves in the source regions of type III solar radio bursts near 1 AU. Two indirect lines of observational evidence, as well as plasma theory, suggest they are produced by the electrostatic (ES) decay L yields L(PRIME) + S. However, contrary to theoretical predictions, an existing analysis of the wave frequencies instead favors the electromagnetic (EM) decays L yields T + S, where T denotes an EM wave near the plasma frequency. This conflict is addressed here by comparing the observed wave frequencies and onset times with theoretical predictions for the ES and EM decays, calculated using the time-variable electron beam and magnetic field orientation data, rather than the nominal values used previously. Field orientation effects and beam speed variations are shown analytically to produce factor-of-three effects, greater than the difference in wave frequencies predicted for the ES and EM decays; effects of similar magnitude occur in the events analyzed here. The S-wave signals are extracted by hand from a sawtooth noise background, greatly improving the association between S waves and intense L waves. Very good agreement exists between the time-varying predictions for the ES decay and the frequencies of most (but not all) wave bursts. The waves occur only after the ES decay becomes kinematically allowed, which is consistent with the ES decay proceeding and producing most of the observed signals. Good agreement exists between the EM decay's predictions and a significant fraction of the S-wave observations while the EM decay is kinematically allowed. The wave data are not consistent, however, with the EM decay being the dominant nonlinear process. Often the observed waves are sufficiently broadband to overlap simultaneously the frequency ranges predicted for the ES and EM decays. Coupling the dominance of the ES decay with this frequency overlap provides support for a previous suggestion that fundamental emission occurs when the EM decay is stimulated by the ES decay product waves. The periods in which the ES and EM decays produce observable S waves are consistent with the observed and (independently) predicted times of fundamental and harmonic radio emission. This supports interpretation of fundamental emission as stimulated EM decay and harmonic emission as the coalescence L + L(prime) yields T of beam-generated L waves and L(prime) waves produced by the ES decay, where T denotes an electromagnetic wave at twice the plasma frequency. Analysis of the electron beam data reveals that the time-varying beam speed is consistent with ballistic beam propagation with minimal energy loss, implying that the beam propagates in a state close to time- and volume-averaged marginal stability. This confirms a central tenet of the stochastic growth theory for type III bursts.

Cairns, Iver H.↗
NASA NTRS2010

Improved Creep Measurements for Ultra-High Temperature Materials

Our team has developed a novel approach to measuring creep at extremely high temperatures using electrostatic levitation (ESL). This method has been demonstrated on niobium up to 2300 C, while ESL has melted tungsten (3400 C). This method has been extended to lower temperatures and higher stresses and applied to new materials, including a niobium-based superalloy, MASC. High-precision machined spheres of the sample are levitated in the NASA MSFC ESL, a national user facility and heated with a laser. The samples are rotated with an induction motor at up to 30,000 revolutions per second. The rapid rotation loads the sample through centripetal acceleration, producing a shear stress of about 60 MPa at the center, causing the sample to deform. The deformation of the sample is captured on high-speed video, which is analyzed by machine-vision software from the University of Massachusetts. The deformations are compared to finite element models to determine the constitutive constants in the creep relation. Furthermore, the non-contact method exploits stress gradients within the sample to determine the stress exponent in a single test.

Hyers, Robert W.↗
NASA NTRS2004

Developing Glassy Magnets from Simulated Composition of Martian Soil for Exploration Applications

The long-term exploration goals of NASA include developing human habitation on Mars and conducting scientific investigations on Mars and other planetary bodies. In situ resource processing is a key objective in this area. We focus on the possibility of making magnetic glasses in situ for potential applications development. The paper will focus on ongoing work at NASA Marshall Space Flight Center on making magnetic glass from Mars soil simulants and its characterization. Analysis of the glass morphology, strength, chemistry and resulting magnetic properties will provide a fundamental understanding of the synthesized material that can be used for potential applications development. in an effort to characterize the magnetic properties of the Mars glasses, a series of tests were performed at NASA MSFC. Preliminary tests indicated that the glasses were attracted to a magnet and also had a small amount of residual magnetism. They were opaque (almost black in color). As the first step, a sample of Mars 1 glass (approx.1 mm x 1 mm x 5 mm length) was machined, weighed and its hysteresis curve was measured using a Vibration Sample Magnetometer (VSM). Next, a small furnace was designed and built and the sample was baked in a graphite (reducing agent) crucible at 800 C in an Argon atmosphere for 3 hours in the presence of a uniform, transverse (transverse to the 5mm length of the sample) magnetic field of 0.37 Tesla. The treated sample showed reddening on the outside and showed substantially increased residual magnetism. This sample was again analyzed in the VSM. The data clearly showed that some chemical change occurred during the heat treatment (color change) and that both the glasses have useful magnetic properties. Although no orientation effects of the magnetic field were considered, the data showed the following: 1. Both glass samples are primarily soft magnets and display ferromagnetic behavior (hysteresis, saturation, etc.) 2. The treated glass has improved saturation magnetism (order of magnitude increase), retentivity (factor of 6 increase) and susceptibility (order of magnitude increase) compared to the untreated glass 3. The untreated sample has higher coercivity (approx.50% that of Nickel) than the treated sample 4. Both samples have similar energy density. Results from a systematic study to quantify the effects of processing conditions such as heat treatment, atmosphere, containerless processing (by electrostatic levitation), and applications of external magnetic fields of different strengths will be discussed. Efforts on optimizing the magnetic properties of the product and the feasibility of using it for a couple of specific magnetic applications such as heat generation using an ac field and for electro forming will also be covered. The latter is an in situ manufacturing technique being studied for in-space fabrication applications at MSFC.

Ramachandran, N.↗
DOE OSTI2023

The transport dynamics of tens of micrometer-sized water droplets in RF atmospheric pressure glow discharges

Abstract Charging of particles having diameters of tens of microns has been extensively studied at atmospheric pressure in the context of, for example, electrostatic precipitators where the focus was on unipolar charging. The ambipolar charging of particles in atmospheric pressure plasmas, and of droplets in particular, has received less attention. The plasma activation of droplets is of interest for water purification, fertilizer production and materials synthesis, all of which depend on the transport of the droplets through the plasma, which in turn depends on their charging. In this paper, we report on the transport dynamics of water droplets, tens of microns in diameter, carried by the gas flow through an atmospheric pressure radiofrequency glow discharge sustained in helium. The droplets pass through the plasma with minimal evaporation and without reaching the Rayleigh limit. The droplet trajectory in the presence and absence of the plasma provides insights on the forces acting on the droplet. The measurements were analyzed using results from a three-dimensional fluid model and a two-dimensional plasma hydrodynamics model. We found that the transport dynamics as the droplet enters and leaves the plasma are due to differential charging of the droplet in the plasma gradients of the bounding sheaths to the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1987

A preliminary study of extended magnetic field structures in the ionosphere

Several plasma phenomena which are to be expected around a magnet in LEO were identified and analyzed qualitatively. The ASTROMAG cusp magnet will create an extended field whose strength drops to the ambient level over a scale length of approx. 15 m; the combined field has a complex topology with ring nulls and open and closed field lines. The entire configuration is moving through the partially ionized F-layer of the ionosphere at a speed slow compared to the local Alfven speed but fast compared to the ion sound speed. The ambient plasma crosses the extended field structure in a time short compared to the ion Larmor period yet long relative to the electron Larmor period. Thus, electrons behave as a magnetized fluid while ions move ballistically until reflected from higher fields near the cusp. Since the Debye length is short compared to the field scale length, an electrostatic shock-like structure forms to equilibrate the flows and achieve quasi-neutrality. The ambient plasma will be excluded from a cavity near the magnet. The size and nature of the strong interaction region in which the magnet significantly perturbs the ambient flow were determined by studying ion orbits numerically. Lecture viewgraphs summarizing these results are presented.

Sullivan, James D.↗
NASA NTRS2001

Microshutter Arrays for the NGST NIRSpec

We are developing a programmable multiobject field selector for the NGST NIRSpec. This device is a microshutter array, a close-packed 2000 x 2000 array of 100 micrometer x 100 micrometer shutters fabricated with Micro-ElectroMechanical Systems (MEMS) technologies. The shutters are opened using a magnet scanned over the array. The shutters are held open by electrostatic potentials on adjacent vertical electrodes. Modeling of the magnetic actuation of the microshutters allowed optimization of the magnetic field configuration, the distance between magnet and shutters, and the force and torque produced by the magnet. The results of laboratory tests are consistent with our modeling. We have demonstrated actuation, latching and addressing. We are able to rotate shutters out of the plane up to 90 degree and more, to latch them electrostatically to the walls and release them selectively. During the last six month all critical elements of the array have been demonstrated. Fabrication processes were developed to deposit vertical electrodes on support grid side walls and insulated light-shields that block the gaps between shutters and the support grid. Physical optics analysis was performed to assess the expected optical performance of the microshutters. A preliminary Fourier optics analysis on the microshutter array performance has been carried out. More detailed analysis of wave propagation through 3D structures is a next step. An optical test station for verifying optical parameters of the shutter array at room temperature has been developed. It allows to measure parameters, such as transmission, scattering, contrast ratio, and diffraction of the array structure. Initial data have been acquired and are being analyzed and compared to theoretical predictions.

Moseley, Harvey↗
NASA NTRS1984

A new analysis of charge transfer and polarization for ligand-metal bonding - Model studies of Al4CO and Al4NH3

The nature of the bonding of CO and NH3 ligands to Al is analyzed, and the intra-unit charge polarization and inter-unit donation for the interaction of ligands with metals are studied. The consequences of metal-to-ligand and ligand-to-metal charge transfer are separately considered by performing a constrained space orbital variation (CSOV) with the electrons of the metal member of the complex in the field of frozen ligand. The electrons of the metal atoms are then frozen in the relaxed distribution given by the CSOV SCF wave function and the ligand electrons are allowed to relax. Quantitative measures of the importance of inter-unit charge transfers and intra-unit polarization are obtained using results of SCF studies of Al4CO and Al4NH3 clusters chosen to simulate the adsorption of the ligands at an on-top side of the Al(111) surface. The electrostatic attraction of the effective dipole moments of the metal and ligand units makes an important contribution to the bond.

Bagus, P. S.↗
NASA NTRS1994

Fine structure of low-energy H(+) in the nightside auroral region

Low-energy H(+) data with 6-s resolution from the retarding ion mass spectrometer instrument on Dynamics Explorer (DE) 1 have been analyzed to reveal the fine structure at middle altitudes of the nightside auroral region. A new method for deconvolving the energy-integrated count rate in the spin plane of the satellite has been used to derive the two-dimensional phase space density. A detailed analysis reveals an alternating conic-beam-conic pattern with the observed conics correlated with large earthward currents in the auroral region. The strong downward current (larger than 1 microamperes per sq m (equivalent value at ionosphere)) provides a free energy source for the perpendicular ion heating, that generates the ion conics with energies from several eV to tens of eV. The bowl shape distribution of the low-energy H(+) is caused by the extended perpendicular heating. The strong correlation between conics and large downward currents suggests that the current-driven electrostatic ion cyclotron wave is an appropriate candidate for the transverse heating mechanism.

Liu, Chao↗
DOE OSTI2024

Massively parallel axisymmetric fluid model for streamer discharges

A highly parallelizable fluid plasma simulation tool based upon the first-order drift-diffusion equations is discussed. Atmospheric pressure plasmas have densities and gradients that require small element sizes in order to accurately simulate the plasm resulting in computational meshes on the order of millions to tens of millions of elements for realistic size plasma reactors. To enable simulations of this nature, parallel computing is required and must be optimized for the particular problem. Here, a finite-volume, electrostatic drift-diffusion implementation for low-temperature plasma is discussed. The implementation is built upon the Message Passing Interface (MPI) library in C++ using Object Oriented Programming. The underlying numerical method is outlined in detail and benchmarked against simple streamer formation from other streamer codes. Electron densities, electric field, and propagation speeds are compared with the reference case and show good agreement. Convergence studies are also performed showing a minimal space step of approximately 4 μm required to reduce relative error to below 1% during early streamer simulation times and even finer space steps are required for longer times. Additionally, strong and weak scaling of the implementation are studied and demonstrate the excellent performance behavior of the implementation up to 100 million elements on 1024 processors. Lastly, different advection schemes are compared for the simple streamer problem to analyze the influence of numerical diffusion on the resulting quantities of interest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗