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DOE OSTI2024

FY24 Advanced Computing HPC Annual Report for allocation "vtocei"

This project aims to elucidate the mechanisms underlying the formation of the cathodeelectrolyte interphase (CEI) and its impact on the performance of Li-ion batteries during electrochemical cycling. Our approach integrates advanced multiscale modeling with multimodal characterization to offer a comprehensive understanding of CEI dynamics. We employ a validated multiscale modeling framework to analyze microstructure-dependent transport properties, alongside joint theory-experiment protocols for detailed resolution of interfacial chemistry via spectroscopy.

36 MATERIALS SCIENCE↗

NASA NTRS1981

The ESA mission to Comet Halley

The Europeon Space Agency's approximately Giotto mission plans for a launch in July 1985 with a Halley encounter in mid-March 1986 4 weeks after the comet's perihelion passage. Giotto carries 10 scientific experiments, a camera, neutral, ion and dust mass spectrometers, a dust impact detector system, various plasma analyzers, a magnetometer and an optical probe. The instruments are described, the principles on which they are based are described, and the experiment key performance data are summarized. The launch constraints the helicentric transfer trajectory, and the encounter scenario are analyzed. The Giotto spacecraft major design criteria, spacecraft subsystem and the ground system are described. The problem of hypervelocity dust particle impacts in the innermost part of the coma, the problem of spacecraft survival, and the adverse effects of impact-generated plasma aroung the spacecraft are considered.

Reinhard, R.↗

NASA NTRS1992

Nitrogen escape from Mars

The mass spectrometer on the Viking spacecraft measured anomalous N-15:N-14 ratio of about 1.62 times the terrestrial value. This enhancement presumably results from differential escape of N-15. The escape of N is non-thermal and potential escape mechanisms include photodissociation, photoionization, and electron impact dissociative ionization of N2, and ion-molecule reactions and dissociative recombination of N2(+). The authors propose some calculations to explain the N ratio, but even with all escape mechanisms considered, the ratios don't balance. This leads to the assumption that some other escape mechanisms must exist that are unexplained.

Fox, J. L.↗

NASA NTRS2000

Aerosol and Plasma Measurements in Noctilucent Clouds

The purpose of this project was to develop rocket-borne probes to detect charged aerosol layers in the mesosphere. These include sporadic E layers, which have their origin in meteoric dust, and noctilucent clouds, which form in the arctic summer and are composed of ice crystals. The probe being developed consists of a charge collecting patch connected to a sensitive electrometer which measures the charge deposited on the patch by impacting aerosols. The ambient electrons and light ions in the mesosphere are prevented from being collected by a magnetic field. The magnetic force causes these lighter particles to turn so that they miss the collecting patch.

Robertson, Scott↗

NASA NTRS2012

Comparison of Four Strong Acids on the Precipitation Potential of Gypsum in Brines During Distillation of Pretreated, Augmented Urine

In this study, three different mineral acids were substituted for sulfuric acid (H2SO4) in the urine stabilizer solution to eliminate the excess of sulfate ions in pretreated urine and assess the impact on maximum water recovery to avoid precipitation of minerals during distillation. The study evaluated replacing 98% sulfuric acid with 85% phosphoric acid (H3PO4), 37% hydrochloric acid (HCl), or 70% nitric acid (HNO3). The effect of lowering the oxidizer concentration in the pretreatment formulation also was studied. This paper summarizes the test results, defines candidate formulations for further study, and specifies the injection masses required to stabilize urine and minimize the risk of mineral precipitation during distillation. In the first test with a brine ersatz acidified with different acids, the solubility of calcium in gypsum saturated solutions was measured. The solubility of gypsum was doubled in the brines acidified with the alternative acids compared to sulfuric acid. In a second series of tests, the alternative acid pretreatment concentrations were effective at preventing precipitation of gypsum and other minerals up to 85% water recovery from 95th-percentile pretreated, augmented urine. Based on test results, phosphoric acid is recommended as the safest alternative to sulfuric acid. It also is recommended that the injected mass concentration of chromium trioxide solution be reduced by 75% to minimize liquid resupply mass by about 50%, reduce toxicity of brines, and reduce the concentration of organic acids in distillate. The new stabilizer solution formulations and required doses to stabilize urine and prevent precipitation of minerals up to 85% water recovery are given. The formulations in this study were tested on a limited number of artificially augmented urine batches collected from employees at the Johnson Space Center (JSC). This study successfully demonstrated that the desired physical and chemical stability of pretreated urine and brines can be achieved using alternate pretreatment formulations under laboratory conditions. Additional testing and hazard assessments will be required to determine the feasibility of utilizing the proposed urine pretreatment formulations on ISS.

Muirhead, Dean↗

NASA NTRS2012

Mass Spectrometers in Space!

Exploration of our solar system over several decades has benefitted greatly from the sensitive chemical analyses offered by spaceflight mass spectrometers. When dealing with an unknown environment, the broadband detection capabilities of mass analyzers have proven extremely valuable in determining the composition and thereby the basic nature of space environments, including the outer reaches of Earth s atmosphere, interplanetary space, the Moon, and the planets and their satellites. Numerous mass analyzer types, including quadrupole, monopole, sector, ion trap, and time-of-flight have been incorporated in flight instruments and delivered robotically to a variety of planetary environments. All such instruments went through a rigorous process of application-specific development, often including significant miniaturization, testing, and qualification for the space environment. Upcoming missions to Mars and opportunities for missions to Venus, Europa, Saturn, Titan, asteroids, and comets provide new challenges for flight mass spectrometers that push to state of the art in fundamental analytical technique. The Sample Analysis at Mars (SAM) investigation on the recently-launch Mars Science Laboratory (MSL) rover mission incorporates a quadrupole analyzer to support direct evolved gas as well as gas chromatograph-based analysis of martian rocks and atmosphere, seeking signs of a past or present habitable environment. A next-generation linear ion trap mass spectrometer, using both electron impact and laser ionization, is being incorporated into the Mars Organic Molecule Analyzer (MOMA) instrument, which will be flown to Mars in 2018. These and other mass spectrometers and mission concepts at various stages of development will be described.

Brinckerhoff, William B.↗

NASA NTRS2018

Observations of Mercury's Exosphere: Composition and Structure: Chapter - 14

Mercury is surrounded by a tenuous exosphere in which particles travel on ballistic trajectories under the influence of a combination of gravity and solar radiation pressure. The densities are so small that the surface forms the exobase and particles in the exosphere are more likely to collide with it rather than with each other. For a planet with a more substantial collision-dominated atmosphere, a population of particles that enters from below the exobase supplies the exosphere. In contrast Mercury's exosphere is supplied both by incoming sources including the solar wind (hydrogen and helium), micrometeoroids (dust), meteoroids and cornets, and by particles released from the surface through a variety of processes that include sputtering by solar wind ions, desorption by solar photons and electrons, impacts by micrometeoroids, and thermal desorption of surface materials. These source processes are balanced by loss processes, which include impact with and sticking to the surface, Jeans (or thermal) escape, ionization followed by transport along magnetic field lines, and acceleration by solar radiation pressure to escape velocity. Ground-based attempts to detect an atmosphere around Mercury before Mariner 10 first visited the planet in 1974 were unsuccessful and led only to increasingly tight upper limits, culminating in a limiting value for surface atmospheric pressure of 0.015 Pascal (Pa) determined by Fink et al. (1974).

Solar↗

DOE OSTI2026

A method for estimating light quenching in inorganic scintillator detectors for radioactive ion beam experiments

In recent experiments, inorganic scintillators have been used to study the decays of exotic nuclei, providing an alternative to silicon detectors and enabling measurements that were previously impossible. However, proper use of these materials requires us to understand and quantify the scintillation process, specifically in response to very heavy nuclei. Here, in this work, we show a simplified method based on the models of Birks (1951) and Meyer and Murray (1962) to parametrize the light output of inorganic scintillators in response to beams of energetic heavy ions over a broad range of energies. We test the accuracy of our parametrization approach by calculating light output and quenching factors for various ions and comparing them with experimental data from Lutetium Yttrium Orthosilicate (LYSO:Ce), a common inorganic scintillator. The Meyer–Murray model suggests that, for sufficiently heavy ions at high energies, the majority of the light output is associated with the creation of delta electrons, which are induced by the passage of the beam through the material. These delta electrons dramatically impact the response of detection systems when subject to ions with velocities typical of beams in modern fragmentation facilities. To illustrate this, we also present a qualitative estimate of the effects of delta rays on overall light output using the Birks–Meyer–Murray parametrization. The approach presented herein will serve as a basic framework for further, more rigorous studies of scintillator response to heavy ions. This work is a crucial first step in planning future experiments where energetic exotic nuclei are interacting with scintillator detectors.

Heavy ion↗

NASA NTRS2012

Solar Ion Sputter Deposition in the Lunar Regolith: Experimental Simulation Using Focused-Ion Beam Techniques

As regions of the lunar regolith undergo space weathering, their component grains develop compositionally and microstructurally complex outer coatings or "rims" ranging in thickness from a few 10 s to a few 100's of nm. Rims on grains in the finest size fractions (e.g., <20 m) of mature lunar regoliths contain optically-active concentrations of nm size metallic Fe spherules, or "nanophase Fe(sup o)" that redden and attenuate optical reflectance spectral features important in lunar remote sensing. Understanding the mechanisms for rim formation is therefore a key part of connecting the drivers of mineralogical and chemical changes in the lunar regolith with how lunar terrains are observed to become space weathered from a remotely-sensed point of view. As interpreted based on analytical transmission electron microscope (TEM) studies, rims are produced from varying relative contributions from: 1) direct solar ion irradiation effects that amorphize or otherwise modify the outer surface of the original host grain, and 2) nanoscale, layer-like, deposition of extrinsic material processed from the surrounding soil. This extrinsic/deposited material is the dominant physical host for nanophase Fe(sup o) in the rims. An important lingering uncertainty is whether this deposited material condensed from regolith components locally vaporized in micrometeorite or larger impacts, or whether it formed as solar wind ions sputtered exposed soil and re-deposited the sputtered ions on less exposed areas. Deciding which of these mechanisms is dominant, or possibility exclusive, has been hampered because there is an insufficient library of chemical and microstructural "fingerprints" to distinguish deposits produced by the two processes. Experimental sputter deposition / characterization studies relevant to rim formation have particularly lagged since the early post-Apollo experiments of Hapke and others, especially with regard to application of TEM-based characterization techniques. Here we report on a novel design for simulating solar ion sputter deposition in the lunar regolith, with characterization of the resulting sputter deposits by an array of advanced analytical TEM techniques.

Christoffersen, R.↗

DOE OSTI2024

Impact of mid- Z gas fill on dynamics and performance of shock-driven implosions at the OMEGA laser

Shock-driven implosions with 100% deuterium (D 2 ) gas fill compared to implosions with 50:50 nitrogen-deuterium (N 2 ⁢D 2 ) gas fill have been performed at the OMEGA laser facility to test the impact of the added mid-Ζ fill gas on implosion performance. Ion temperature (Τ ion ) as inferred from the width of measured DD-neutron spectra is seen to be 34%±6% higher for the N 2⁢ D 2 implosions than for the D 2 -only case, while the DD-neutron yield from the D 2 -only implosion is 7.2±0.5 times higher than from the N 2⁢ D 2 gas fill. The T ion enhancement for N 2 ⁢D 2 is observed in spite of the higher Z, which might be expected to lead to higher radiative loss, and higher shock strength for the D 2 -only versus N 2 ⁢D 2 implosions due to lower mass, and is understood in terms of increased shock heating of N compared to D, heat transfer from N to D prior to burn, and limited amount of ion-electron-equilibration-mediated additional radiative loss due to the added higher-Z material. Further, this picture is supported by interspecies equilibration timescales for these implosions, constrained by experimental observables. The one-dimensional (1D) kinetic Vlasov-Fokker-Planck code ifp and the radiation hydrodynamic simulation codes hyades (1D) and xrage [1D, two-dimensional (2D)] are brought to bear to understand the observed yield ratio. Comparing measurements and simulations, the yield loss in the N 2 ⁢D 2 implosions relative to the pure D 2 -fill implosion is determined to result from the reduced amount of D 2 in the fill (fourfold effect on yield) combined with a lower fraction of the D 2 fuel being hot enough to burn in the N 2 ⁢D 2 case. The experimental yield and T ion ratio observations are relatively well matched by the kinetic simulations, which suggest interspecies diffusion is responsible for the lower fraction of hot D 2 in the N 2 ⁢D 2 relative to the D 2 -only case. The simulated absolute yields are higher than measured; a comparison of 1D versus 2D XRAGE simulations suggest that this can be explained by dimensional effects. The hydrodynamic simulations suggest that radiative losses primarily impact the implosion edges, with ion-electron equilibration times being too long in the implosion cores. The observations of increased T ion and limited additional yield loss (on top of the fourfold expected from the difference in D content) for the N 2 ⁢D 2 versus D 2 -only fill suggest it is feasible to develop the platform for studying CNO-cycle-relevant nuclear reactions in a plasma environment.

47 OTHER INSTRUMENTATION↗

NASA NTRS2011

Space Environmental Erosion of Polar Icy Regolith

While regions at the floors of permanently shadowed polar craters are isolated from direct sunlight, these regions are still exposed to the harsh space environment, including the interplanetary Lyman-a background, meteoric impacts, and obstacle-affected solar wind. We demonstrate that each of these processes can act to erode the polar icy regolith located at or near the surface along the crater floor. The Lyman-a background can remove/erode the icy-regolith via photon stimulated desorption [1], meteoric impacts can vaporize the regolith [2], and redirected solar wind ions can sputter the ice-regolith mix [3]. As an example we shall examine in detail the inflow of solar wind ions and electrons into polar craters, One might expect such ions to flow horizontally over the crater top (see Figure). However, we find that plasma ambipolar processes act to deflect passing ions into the craters [3]. We examine this plasma process and determine the ion flux as a function of position across a notional crater floor. We demonstrate that inflowing solar wind ions can indeed create sputtering along the crater floor, effectively eroding the surface. Erosion time scales rrom sputtering will be presented. We shall also consider the effect of impact vaporization on buried icy-regolith regions. There will also be a discussion of solar wind electrons that enter into the PSR, demonstrating that these also have the ability rree surface-bound atoms via electron stimulated desorption processes [l].

Farrell, William M.↗

NASA NTRS1990

Multiple-ionization of xenon atoms by positron impact

Previously the cross sections were measured for positronium formation and single ionization by positron impact for He and H2. With the same apparatus, slightly modified, the single and multiple ionization of xenon is now investigated. The principle of the method is the detection of ion and positron in time correlation which allows the discrimination of positronium formation (whereby the positron vanishes) and the destinction of single, double and triple impact ionization (which lead to different ion flight times from the gas target to the ion detector). By using secondary electrons from the positron moderator, similar measurements were performed on electron impact ionization. By comparing with literature values for electron multiple ionization cross sections, the detection-probability ratios were determined for the differently charged ions.

Kruse, Georg↗

NASA NTRS1974

Electron impact excitation of Hg/+/

A crossed charged beam technique was employed in the investigation reported. The ion beam was crossed at right angles by a magnetically confined electron beam. Cross sections were determined as a function of electron impact energy. Considerable structure in the excitation cross section appears immediately above the threshold. It is pointed out that a primary application of cross sections is related to the calculation of plasma rate coefficients.

Crandall, D. H.↗

NASA NTRS1981

Ion sputtering from satellite surfaces

The manifestations of the induced surface currents as observed by the magnetic ion mass spectrometer (MIMS) and retarding potential analyzer (RPA) instruments on AE-C and AE-D are described. Data from these instruments are used to infer the source of some of the different secondary ions observed, as well as their time history and emission energy. It is noted that the emitted particles have a characteristic energy of approximately 1 eV in the spacecraft frame of reference and lack the normal ram energy possessed by the ambient ions. Alkali ions Na(+) and K(+), in addition to nonionospheric NO(+) and O2(+), are observed at low altitudes. With the exception of NO(+), all these are thought to be released by impacts of neutral N2 or O2 with the surfaces. These ion currents decrease with a time constant of about six weeks for the alkali and four weeks for the O2 ions.

Hanson, W. B.↗

NASA NTRS2002

Controlling Electron Backstreaming Phenomena Through the Use of a Transverse Magnetic Field

DEEP-SPACE mission propulsion requirements can be satisfied by the use of high specific impulse systems such as ion thrusters. For such missions. however. the ion thruster will be required to provide thrust for long periods of time. To meet the long operation time and high-propellant throughput requirements, thruster lifetime must be increased. In general, potential ion thruster failure mechanisms associated with long-duration thrusting can be grouped into four areas: (1) ion optics failure; (2) discharge cathode failure; (3) neutralizer failure; and (4) electron backstreaming caused by accelerator grid aperture enlargement brought on by accelerator grid erosion. The work presented here focuses on electron backstreaming. which occurs when the potential at the center of an accelerator grid aperture is insufficient to prevent the backflow of electrons into the ion thruster. The likelihood of this occurring depends on ion source operation time. plasma density, and grid voltages, as accelerator grid apertures enlarge as a result of erosion. Electrons that enter the gap between the high-voltage screen and accelerator grids are accelerated to the energies approximately equal to the beam voltage. This energetic electron beam (typically higher than 1 kV) can damage not only the ion source discharge cathode assembly. but also any of the discharge surfaces upstream of the ion acceleration optics that the electrons happen to impact. Indeed. past backstreaming studies have shown that near the backstreaming limit, which corresponds to the absolute value of the accelerator grid voltage below which electrons can backflow into the thruster, there is a rather sharp rise in temperature at structures such as the cathode keeper electrode. In this respect operation at accelerator grid voltages near the backstreaming limit is avoided. Generally speaking, electron backstreaming is prevented by operating the accelerator grid at a sufficiently negative voltage to ensure a sufficiently negative aperture center potential. This approach can provide the necessary margin assuming an expected aperture enlargement. Operation at very negative accelerator grid voltages, however, enhances ion charge-exchange and direct impingement erosion of the accelerator grid. The focus of the work presented here is the mitigation of electron backstreaming by the use of a magnetic field. The presence of a magnetic field oriented perpendicular to the thruster axis can significantly decrease the magnitude of the backflowing electron current by significantly reducing the electron diffusion coefficient. Negative ion sources utilize this principle to reduce the fraction of electrons in the negative ion beam. The focus of these efforts has been on the attenuation of electron current diffusing from the discharge plasma into the negative ion extraction optics by placing the transverse magnetic field upstream of the extraction electrodes. In contrast. in the case of positive ion sources such as ion thrusters, the approach taken in the work presented here is to apply the transverse field downstream of the ion extraction system so as to prevent electrons from flowing back into the source. It was found in the work presented here that the magnetic field also reduces the absolute value of the electron backstreaming limit voltage. In this respect. the applied transverse magnetic field provides two mechanisms for electron backstreaming mitigation: (1) electron current attenuation and (2) backstreaming limit voltage shift. Such a shift to less negative voltages can lead to reduced accelerator grid erosion rates.

Foster, John E.↗

NASA NTRS1980

A laboratory study of the lambda 2145 A auroral mystery feature

The prominent emission feature near 2145 A in the ultraviolet spectrum of an aurora has been tentatively identified by Dick (1978) as the doublet lines, 2139.68 A and 2143.55 A, emitted by metastable N+(5S) ions, and dissociative excitation of N2 by electron impact with a cross section greater than or equal to 2 x 10 to the -18th sq cm has been proposed as the source of this species. A detailed laboratory study of dissociative excitation is described that suggests two alternative viewpoints of this process: (1) If the calculated radiative lifetime for the N+(5S) state (4.4 microsec) is correct, then the N+(5S) dissociative excitation cross section is less than 3 x 10 to the -21st sq cm. Thus, a new N+(5S) source mechanism would have to be found in order to account for the auroral data. (2) If dissociative excitation does form N+(5S) ions efficiently, then the laboratory and field observations imply a radiative lifetime for this state of more than 10 msec, thus suggesting that there are major errors in the lifetime computation.

Erdman, P. W.↗

NASA NTRS1987

An algorithm for a semiempirical nuclear fragmentation model

In the present paper, an algorithm for HZE (High Charge and Energy) fragmentation based upon a combination of a two step abrasion/ablation model and electromagnetic dissociation is presented. Development of the model and detailed comparison with available experimental data are given elsewhere. The abrasion process accounts for the removal of nuclear matter in the overlap region of the colliding ions. An average transmission factor is used for the projectile and target nuclei at a given impact parameter to account for the finite mean free path in nuclear matter. The ions are treated otherwise on a geometric basis assuming uniform spheres. The ablation process is treated as a single nucleon-evaporation for every 10 MeV of excitation energy as used by Bowman in the original form of the model. The charge distribution of final fragments are calculated according to the Rudstam formula, except for some correction in mass 5, 8 and 9 fragments which show strong structure effects and correspondingly significant deviation from Rudstam's values. The nuclear electromagnetic dissociation is based on the Weizsacker-Williams (WW) method of virtual quanta where due to its simplicity, the virtual photon spectrum for individual multipoles, and finite extent of the charge distribution are not included. Comparisons of the model are made with the available experimental data here and more extensively elsewhere.

NASA Program Space Medicine↗

NASA NTRS2010

Modeling Neutral Densities Downstream of a Gridded Ion Thruster

The details of a model for determining the neutral density downstream of a gridded ion thruster are presented. An investigation of the possible sources of neutrals emanating from and surrounding a NEXT ion thruster determined that the most significant contributors to the downstream neutral density include discharge chamber neutrals escaping through the perforated grids, neutrals escaping from the neutralizer, and vacuum facility background neutrals. For the neutral flux through the grids, near- and far-field equations are presented for rigorously determining the neutral density downstream of a cylindrical aperture. These equations are integrated into a spherically-domed convex grid geometry with a hexagonal array of apertures for determining neutral densities downstream of the ion thruster grids. The neutrals escaping from an off-center neutralizer are also modeled assuming diffuse neutral emission from the neutralizer keeper orifice. Finally, the effect of the surrounding vacuum facility neutrals is included and assumed to be constant. The model is used to predict the neutral density downstream of a NEXT ion thruster with and without neutralizer flow and a vacuum facility background pressure. The impacts of past simplifying assumptions for predicting downstream neutral densities are also examined for a NEXT ion thruster.

Soulas, George C.↗