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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
NASA NTRS1971

Shift and broadening of resonance in turbulent plasmas.

The resonant wave-particle interaction is described, taking into account the effect of the turbulent field on the particle motion in lowest order. It is shown that an electrostatic turbulence produces a shift and a broadening of the Landau resonance. It is found that the resonance shift depends on the mean square spread in wave numbers of the turbulent spectrum, while the resonance width is proportional to the root square of the wave amplitude.

Birmingham, T.↗
NASA NTRS1996

The NASA Electric Propulsion Program

Nearly all space missions require on-board propulsion systems and these systems typically have a major impact on spacecraft mass and cost. Electric propulsion systems offer major performance advantages over conventional chemical systems for many mission functions and the NASA Office of Space Access and Technology (OSAT) supports an extensive effort to develop the technology for high-performance, on-board electric propulsion system options to enhance and enable near- and far-term US space missions. This program includes research and development efforts on electrothermal, electrostatic, and electromagnetic propulsion system technologies to cover a wide range of potential applications. To maximize expectations of technology transfer, the program emphasizes strong interaction with the user community through a variety of cooperative and contracted approaches. This paper provides an overview of the OSAT electric propulsion program with an emphasis on recent progress and future directions.

Callahan, Lisa Wood↗
DOE OSTI2021

InteraChem: Virtual Reality Visualizer for Reactive Interactive Molecular Dynamics

Interactive molecular dynamics in virtual reality (IMD-VR) simulations provide a digital molecular playground for students as an alternative or complement to traditional molecular modeling kits or 2D illustrations. Previous IMD-VR studies have used molecular mechanics to enable simulations of macromolecules such as proteins and nanostructures for the classroom setting with considerable success. Here, we present the InteraChem molecular visualizer, intended for reactive IMD-VR simulation using semiempirical and ab initio methods. InteraChem visualizes not only the molecular geometry but also (1) isosurfaces such as molecular orbitals and electrostatic potentials and (2) two-dimensional graphs of time-varying simulation quantities such as kinetic/potential energy, internal coordinates, and user-applied force. Additionally, InteraChem employs speech recognition to facilitate user interaction and introduces a novel “atom happiness” visualization using emojis to indicate the energetic feasibility of a particular bonding arrangement. Furthermore, we include a set of accompanying exercises that we have used to teach chemical reactivity in small molecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1998

Locations of Halide Ions in Tetragonal Lysozyme Crystals

Anions play an important role in the crystallization of lysozyme, and are known to bind to the crystalline protein. Previous studies employing X-ray crystallography had found one chloride ion binding site in the tetragonal crystal form of the protein and four nitrate ion binding sites in the monoclinic form. Studies using other approaches have reported more chloride ion binding sites, but their locations were not known. Knowing the precise location of these anions is also useful in determining the correct electrostatic fields surrounding the protein. In the first part of this study the anion positions in the tetragonal form were determined from the difference Fourier map obtained from the lysozyme crystals grown in bromide and chloride solutions under identical conditions. The anion locations were then obtained from standard crystallographic methods and five possible anion binding sites were found in this manner. The sole chloride ion binding site found in previous studies was confirmed. The remaining four sites were new ones for tetragonal lysozyme crystals. However, three of these new sites and the previously found one corresponded to the four unique binding sites found for nitrate ions in monoclinic crystals. This suggests that most of the anion binding sites in lysozyme remain unchanged, even when different anions and different crystal forms of lysozyme are employed. It is unlikely that there are many more anions in the tetragonal lysozyme crystal structure. Assuming osmotic equilibrium it can be shown that there are at most three more anions in the crystal channels. Some of the new anion binding sites found in this study were, as expected, in pockets containing basic residues. However, some of them were near neutral, but polar, residues. Thus, the study also showed the importance of uncharged, but polar groups, on the protein surface in determining its electrostatic field. This was important for the second part of this study where the electrostatic field surrounding the protein was accurately determined. This was achieved by solving the linearized version of the Poisson-Boltzmann equation for the protein in solution. The solution was computed employing the commercial code Delphi which uses a finite difference technique. This has recently become available as a module in the general protein visualization code Insight II. Partial charges were assigned to the polar groups of lysozyme for the calculations done here. The calculations showed the complexity of the electrostatic field surrounding the protein. Although most of the region near the protein surface had a positive field strength, the active site cleft was negatively charged and this was projected a considerable distance. This might explain the occurrence of "head-to-side" interactions in the formation of lysozyme aggregates in solution. Pockets of high positive field strength were also found in the vicinity of the anion locations obtained from the crystallographic part of this study, confirming the validity of these calculations. This study clearly shows not only the importance of determining the counterion locations in protein crystals and the electrostatic fields surrounding the protein, but also the advantage of performing them together.

Lim, Kap↗
DOE OSTI2020

Ions Tune Interfacial Water Structure and Modulate Hydrophobic Interactions at Silica Surfaces

The structure and ultrafast dynamics of the electric double layer (EDL) are central to chemical reactivity and physical properties at solid/aqueous interfaces. While the Gouy–Chapman–Stern model is widely used to describe EDLs, it is solely based on the macroscopic electrostatic attraction of electrolytes for the charged surfaces. Structure and dynamics in the Stern layer are, however, more complex because of competing effects due to the localized surface charge distribution, surface–solvent–ion correlations, and the interfacial hydrogen bonding environment. Here, we report combined time-resolved vibrational sum frequency generation (TR-vSFG) spectroscopy with ab initio DFT-based molecular dynamics simulations (AIMD/DFT-MD) to get direct access to the molecular-level understanding of how ions change the structure and dynamics of the EDL. We show that innersphere adsorbed ions tune the hydrophobicity of the silica–aqueous interface by shifting the structural makeup in the Stern layer from dominant water–surface interactions to water–water interactions. This drives an initially inhomogeneous interfacial water coordination landscape observed at the neat interface toward a homogeneous, highly interconnected in-plane 2D hydrogen bonding (2D-HB) network at the ionic interface, reminiscent of the canonical, hydrophobic air–water interface. This ion-induced transformation results in a characteristic decrease of the vibrational lifetime (T 1 ) of excited interfacial O–H stretching modes from T 1 ~ 600 fs to T 1 ~ 250 fs. Hence, we propose that the T 1 determined by TR-vSFG in combination with DFT-MD simulations can be widely used for a quantitative spectroscopic probe of the ion kosmotropic/chaotropic effect at aqueous interfaces as well as of the ion-induced surface hydrophobicity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2020

Implementation Concept of Operation for a Multi-Purpose Cassegrain Solar Concentrator, Micro-Spectrometers, and Electrostatic Neutralizers to Enable In Situ Construction Activities plus Lunar, Planetary, and Deep Space Science Exploration on the Moon

The ability to utilize regolith would support human missions to the Moon and Mars by both stabilizing the surface as well as the use of indigenous resources. Precision landing requirements include surface stabilization to prevent damage or contamination due to regolith projectiles as a result of plume interaction with regolith. The use of indigenous resources rather than hauling materials from Earth appears to be economically a palatable option by converting indigenous resources to usable products. However, such activities have new technical challenges to overcome the issues related to lunar environmental conditions, a wide range of temperature fluctuation, extremely high vacuum, and electrostatically charged fine regolith dusts. For both the regolith sintering and extraction of resources onsite, a Cassegrain solar concentrator was studied for not only sintering lunar regolith into a hardened stabilized surface, but also other multiple applications. This report illustrates a Cassegrain solar concentrator that has multi-functional capabilities for space missions. Proper design and implementation of high-performance lightweight composite materials for the primary mirror of the Cassegrain concentrator can offer multiple capabilities to be performed on the Moon. The multiple applications studied with Cassegrain concentrators are (1) Solar sintering for landing pad and habitats, (2) Harvest of volatiles: H2O, O2, H2, and He-3, (3) Space antenna for telemetry and telecommunication, and (4) Space telescope with 20-meter aperture that exceeds the space telescopes to date in terms of the State-of-Art (SOA) in resolution and aperture diameter. In this study, a key emphasis was placed on the NASA Langley-developed boron nitride nanotube (BNNT) nanocomposite technology which is ideal for the segmented primary mirror structure of the Cassegrain system because it promises a very low coefficient of thermal expansion (CTE) and negligible Poisson ratio. Also, BNNT nanocomposites offer several noticeable benefits, such as light weight, radiation shielding capability, and mechanical strength for structural applications. Additionally, the NASA Langley-developed bullet-like micro-spectrometer and electrostatic power generator were reviewed for mineral mapping applications and electrostatic power generation and dust mitigation from electrostatically charged regolith.

landing pad↗
DOE OSTI2018

Diffusion and photon-stimulated desorption of CO on TiO2(110)

Thermal diffusion of CO adsorbed on rutile TiO2(110) was studied in the 20 - 110 K range using photon-stimulated desorption (PSD), temperature programmed desorption (TPD) and scanning tunneling microscopy. During UV irradiation, CO desorbs from certain photoactive sites (e.g. oxygen vacancies). This phenomenon was exploited to study CO thermal diffusion in three steps: first empty these sites during a first irradiation cycle, then replenish them with CO during annealing, and finally probe the active site occupancy in the second PSD cycle. The PSD and TPD experiments show that the CO diffusion rate correlates with the CO adsorption energy – stronger binding corresponds to slower diffusion. Increasing the CO coverage or hydroxylation of the surface decreases the CO binding and increases the CO diffusion rate. Relative to the reduced surface, the CO adsorption energy increases and the diffusion decreases on the oxidized surface. The CO diffusion kinetics can be modeled satisfactorily as an Arrhenius process with a “normal” prefactor (i.e. = 1012 s 1) and a Gaussian distribution of activation energies where the peak of the distribution is ~0.28 eV and the full width at half maximum (FWHM) is 0.1 eV at the lowest coverages. The observations are consistent with a significant electrostatic component of the CO binding energy on the TiO2(110) surface which is affected by changes in the surface dipole and dipole-dipole interactions.

Petrik, Nikolay G.↗
NASA NTRS1977

The effect of environmental plasma interactions on the performance of the solar sail system

Interaction between the solar sail and the natural plasma environment were examined for deleterious impacts upon the operation of the sail and its associated payload. Electrostatic charging of the sail in the solar wind and in near earth environment were examined. Deployment problems were studied. An analysis of electromechanical oscillations coupling the sail to the natural plasma was performed. As a result of these studies, it was concluded that none of these effects will have a significant negative impact upon the sail operation. The natural environment will be significantly perturbed and this will preclude measurements of electric and magnetic fields from an attached payload.

Douglas, M.↗
NASA NTRS1985

The physics of comets

This volume of the 'Fundamentals of Cosmic Physics' is concerned with the physics of comets. Aspects regarding the nucleus are discussed, taking into account observations, radius and albedo, mass, rotation, splitting and disruption, the temperature and sublimation of the cometary nucleus, the chemical composition, the electrostatic charging of the cometary nucleus, and the structure and evolution of the cometary nucleus. Other topics explored are related to the atmosphere and its interaction with the solar wind, the plasma tail, and the dust tail. Attention is given to excitation mechanisms, atmospheric abundances and production rates, chemical models of the inner coma, collisional processes and the multifluid approach, radiative transfer, the ionization processes, models of the inner layer, the outer coma, acceleration mechanisms in the plasma tail, the structure of the plasma tail, the cometary magnetosphere, dust grain orbits, gas-dust interaction in the inner coma, and the nature of the cometary dust.

Mendis, D. A.↗
NASA NTRS1985

A possible mechanism for the observed streaming of O(+) and H(+) ions at nearly equal speeds in the distant magnetotail

In recent years, O(+) and H(+) ions streaming away from the earth along geomagnetic field lines have been observed in the distant magnetotail region. In the present paper, it is suggested that the transverse acceleration of the ions occurs on auroral field lines at altitudes above the field-aligned potential drops, where ion beams and electrostatic hydrogen cyclotron (EHC) waves have been simultaneously observed. It is pointed out that the preferential acceleration of O(+) relative to H(+) occurs through the interaction of O(+) ions with weak EHC waves, as suggested by Singh et al. (1983). A quantitative explanation is provided for the observed relationship between the energies of O(+) and H(+) ions.

Singh, N.↗
NASA NTRS2019

Source of the Bursty Bulk Flow Diffuse Aurora: Electrostatic Cyclotron Harmonic and Whistler Waves in the Coupling of Bursty Bulk Flows to Auroral Precipitation

Electron cyclotron harmonic (ECH) and whistler chorus waves are recognized as the two mechanisms responsible for the resonant wave‐particle interactions necessary to precipitate plasma sheet electrons into the ionosphere, producing the diffuse Aurora. Previous work has demonstrated ECH waves dominate electron scattering at L shells >8, while whistler chorus dominates scattering at L shells L < 8. However, we find from Time History of Events and Macroscale (THEMIS) Interactions during Substorms observations of fast flows at L = 12 that oblique whistler chorus emissions play the dominant role in scattering electrons. Previous works have identified whistler‐mode waves within fast flows that are produced by an electron temperature anisotropy Te,⊥/Te,||> 1, consistent with electron betatron acceleration. Here, however, we find whistler chorus emissions throughout an interval of fast flows where Te,⊥/Te,||< 1. Parallel electron beams account for the enhanced parallel electron temperature and serve as the instability mechanism for the whistler chorus. The parallel electron beams and associated cigar‐shaped distributions are consistent with Fermi acceleration at dipolarizations in fast flows. We demonstrate that the scattering efficiency of the whistler chorus exceeds that of ECH waves, which THEMIS also detects during the fast flows. The obliquity of the whistler waves permits efficient scattering of lower‐energy electrons into the diffuse aurora. We conclude that Fermi acceleration of electrons provides one important free‐energy source for the wave‐particle interactions responsible for coupling plasma sheet electrons into the diffuse aurora during substorm conditions.

Wendel, D. E.↗
DOE OSTI2021

Oriented Electrostatic Effects on O 2 and CO 2 Reduction by a Polycationic Iron Porphyrin

Next-generation energy technologies require improved methods for rapid and efficient chemical-to-electrical energy transformations. One new approach has been to include atomically-positioned, electrostatic motifs in molecular catalysts to stabilize high-energy, charged intermediates. For example, an iron porphyrin bearing four cationic, ortho-N,N,N-trimethylanilinium groups (o-[N(CH 3 ) 3 ] + ) has recently been used to catalyze the complex, multi-step O 2 and CO 2 reduction reactions (ORR and CO 2 RR) with fast rates and at low overpotentials. The success of this catalyst is attributed, at least in part, to specific charge-charge interactions between the atomically-positioned o-[N(CH 3 ) 3 ] + groups and the bound substrate. However, by nature of the mono-ortho substitution pattern, there are four possible atropisomers of this metalloporphyrin and thus four unique electrostatic environments. This work reports that each of the four individual atropisomers catalyzes both the ORR and CO 2 RR with fast rates and low overpotentials. The maximum turnover frequencies (TOF max ) vary among the atropisomers, by a factor of 60 for the ORR and a factor of 5 for CO 2 RR. For the ORR, the αβαβ isomer is the fastest and has the highest overpotential, while for the CO 2 RR, the order is reversed and the αααα isomer is the fastest and has the highest overpotential. The role of charge-positioning is complex and can affect more than a single step such as CO 2 binding. These data offer a first-of-a-kind perspective on atomically positioned charge and highlight the significance of high charge density, rather than orientation, on the thermodynamics and kinetics of multistep molecular electrochemical transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ion concentration ratio measurements of ion beams generated by a commercial microwave electron cyclotron resonance plasma source

A commercially available electron cyclotron resonance (ECR) plasma source (GenII Plasma Source, tectra GmbH) is widely used for surface processing. This plasma source is compatible with ultrahigh vacuum systems, and its working pressure is relatively low, around 10 –6 –10 –4 Torr even without differential pumping. Here, we report ion flux concentration ratios for each ion species in an ion beam from this source, as measured by a mass/energy analyzer that is a combination of a quadrupole mass spectrometer, an electrostatic energy analyzer, and focusing ion optics. In this study, the examined beams were those arising from plasmas produced from feed gases of H 2 , D 2 , N 2 , O 2 , Ar, and dry air over a range of input power and working pressures. H 2 (D 2 ) plasmas are widely used for nuclear fusion applications and, hence, the ion concentration ratios of H + , H 2 + , and H 3 + reported here will be useful information for research that applies this plasma source to well-controlled plasma-material interaction studies. Ion energy distributions, stability of operation, and impurity concentrations were also assessed for each of the plasma species investigated.

47 OTHER INSTRUMENTATION↗
NASA NTRS1972

Nonlinear interaction of plasma waves in a cold magnetized plasma.

Coupling equations are derived for the general case of nonlinear coupling of any wave modes in a cold magnetized plasma with particle drift motions. Specifically, the transformation of electrostatic waves is studied in connection with solar type-III radiation. A relevant numerical analysis is also presented.

Chin, Y.-C.↗
DOE OSTI2025

Alkali-induced catalytic tuning at metal and metal oxide interfaces

Alkali metals have been recognized as effective promoters in heterogeneous catalysis, capable of enhancing catalytic activity and tuning product distributions. Over the past few decades, significant efforts have been made aiming to reveal the mechanisms underlying the promoting effect of alkalis. However, the roles that alkali metals play in the catalytic process remain elusive due to challenges in capturing their catalytic behaviours upon exposure to reactive environments. This review summarizes recent surface science and theoretical studies of alkali (potassium, cesium)-decorated metal and metal oxide model catalysts, revealing the crucial tuning by alkalis of activity and selectivity for CO 2 hydrogenation. The analysis of electronic structures identifies the selective binding mechanism of the positively charged alkali ions on the surface, being able to reduce the surface work function and lead to strong electron polarization on the surfaces. Depending on the alkali–support interaction, the deposition of alkalis can selectively modify the bindings of reaction intermediates involved in CO 2 hydrogenation via the interplay among the ionic, covalent and electrostatic tunings. As a result, CO 2 can be effectively activated and converted into diverse products at the alkali–support interface, ranging from formic acid to methanol and ethanol. The identified selective bond-tuning advances the application of alkalis in promoting catalytic activity and controlling catalytic selectivity at alkali–support interfaces.

03 NATURAL GAS↗
DOE OSTI2021

Flux-driven algebraic damping of m = 2 diocotron mode

Experiments with pure electron plasmas in a Malmberg–Penning trap have observed linear in time, algebraic damping of m = 2 diocotron modes. Transport due to small field asymmetries produces a low-density halo of electrons moving radially outward from the plasma core, and the mode damping begins when the halo reaches the resonant radius of the mode. The damping rate is proportional to the flux of halo particles through the resonant layer. The damping is related to, but distinct from spatial Landau damping in which a linear wave–particle resonance produces exponential damping. This paper reports an analytic theory that captures the main signatures reported for this novel damping, namely, that the damping begins when the halo particles reach the resonant radius and that the damping is algebraic in time with nearly constant damping rate. The model also predicts a nonlinear frequency shift. The model provides two ways to think about the damping. It results from a transfer of canonical angular momentum from the mode to halo particles being swept by the mode field through the nonlinear cat's eye orbits of the resonant region. More mechanistically, the electric field produced by the perturbed charge density of the resonant particles acts back on the plasma core causing E × B drift that gives rise to the damping and nonlinear frequency shift.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Green’s function for a sharpened and metal-coated dielectric probe

In apertureless scanning-probe optical microscopy and in the case of more traditional scanned optical probes coated with a metal that is thin near the probe tip (in lieu of an aperture), samples are probed via interaction between the probe and surface. In the nanometer-scale region between the tip and the sample, the field can be approximated by quasi-electrostatic analytics. Hence, the coated probe can be modeled as in the present case as a hyperboloid of revolution without the need for hyperboloidal wave functions in the near zone. The solutions to Laplace’s equation and in general Green’s function with the application of the boundary conditions, therefore, yield an appropriate approximation and allow a completely analytical solution for the resonance effects upon the probe tip to be obtained. In conclusion, the large field enhancements due to the sharpness of the tip and to surface plasmon fields may thus be analytically examined.

47 OTHER INSTRUMENTATION↗