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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Theory of a steady-state nonisothermal positive column in a magnetic field.

The steady state of a nonisothermal cylindrical discharge in a longitudinal magnetic field is described by three moment equations in the plasma approximation for electrons and ions. Volume generation of electron-ion pairs by single-stage ionization, the presence of axial current, and collisions with neutrals are considered. The theory yields radial profiles of the charged particle velocities, density, potential, electron and ion temperatures, and demonstrates similarity laws for the positive column. The results are compared with two-moment theories and with experimental data on helium, argon, and mercury vapor found in the literature for a wide range of pressures.

Ilic, D. B.↗
NASA NTRS1979

Resonant charge transfer in He/+/-He collisions studied with the merging-beams technique

Absolute cross sections are reported for the resonant charge-transfer reaction He(+) + He yields He + He(+) at collision energies between 0.1 and 187 eV. The results, obtained using a new merging-beam apparatus are in agreement both with theory and with measurements made using other experimental techniques. The experimentally determined cross sections between 0.5 and 187 eV fall about a line given by sigma exp 1/2(sq-A) = 5.09-2.99 lnW, where W is the collision energy in eV. Considerable attention is paid to the configuration and operation of the apparatus. Tests and calculations which confirm the interpretation of the experimental data in a merging-beam experiment are discussed.

Rundel, R. D.↗
NASA NTRS2003

Laboratory Measurements of Optical Properties of Micron Size Individual Dust Grains

A laboratory program is being developed at NASA Marshall Space Flight Center for experimental determination of the optical and physical properties individual dust grains in simulated astrophysical environments. The experimental setup is based on an electrodynamic balance that permits levitation of single 0.1 - 10 micron radii dust grains in a cavity evacuated to pressures of approx. 10(exp -6) torr. The experimental apparatus is equipped with observational ports for measurements in the UV, visible, and infrared spectral regions. A cryogenic facility for cooling the particles to temperature of approx. 10-50K is being installed. The current and the planned measurements include: dust charging processes, photoelectric emissions and yields with UV irradiation, radiation pressure measurements, infrared absorption and scattering properties, and condensation processes, involving the analogs of cosmic dust grains. Selected results based on photoemissions, radiation pressure, and other laboratory measurements will be presented.

Abbas, M. M.↗
NASA NTRS2003

Characterization of Magnetospheric Spacecraft Charging Environments Using the LANL Magnetospheric Plasma Analyzer Data Set

An improved specification of the plasma environment has been developed for use in modeling spacecraft charging. It was developed by statistically analyzing a large part of the LANL Magnetospheric Plasma Analyzer (MPA) data set for ion and electron spectral signature correlation with spacecraft charging, including anisotropies. The objective is to identify a relatively simple characterization of the full particle distributions that yield an accurate predication of the observed charging under a wide variety of conditions.

Hardage, Donna↗
DOE OSTI2021

Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models

Partial atomic charges provide an intuitive and efficient way to describe the charge distribution and the resulting intermolecular electrostatic interactions in liquid water. Many charge models exist and it is unclear which model provides the best assignment of partial atomic charges in response to the local molecular environment. In this work, we systematically scrutinize various electronic structure methods and charge models (Mulliken, natural population analysis, CHelpG, RESP, Hirshfeld, Iterative Hirshfeld, and Bader) by evaluating their performance in predicting the dipole moments of isolated water, water clusters, and liquid water as well as charge transfer in the water dimer and liquid water. Although none of the seven charge models is capable of fully capturing the dipole moment increase from isolated water (1.85 D) to liquid water (about 2.9 D), the Iterative Hirshfeld method performs best for liquid water, reproducing its experimental average molecular dipole moment, yielding a reasonable amount of intermolecular charge transfer, and showing modest sensitivity to the local water environment. The performance of the charge model is dependent on the choice of the density functional and the quantum treatment of the environment. The computed molecular dipole moment of water generally increases with the percentage of the exact Hartree–Fock exchange in the functional, whereas the amount of charge transfer between molecules decreases. For liquid water, including two full solvation shells of surrounding water molecules (within about 5.5 Å of the central water) in the quantum chemical calculation converges the charges of the central water molecule. Furthermore, our final pragmatic quantum chemical charge-assigning protocol for liquid water is the Iterative Hirshfeld method with M06-HF/aug-cc-pVDZ and a quantum region cutoff radius of 5.5 Å.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

The NASA atomic oxygen effects test program

The NASA Atomic Oxygen Effects Test Program was established to compare the low earth orbital simulation characteristics of existing atomic oxygen test facilities and utilize the collective data from a multitude of simulation facilities to promote understanding of mechanisms and erosion yield dependence upon energy, flux, metastables, charge, and environmental species. Four materials chosen for this evaluation include Kapton HN polyimide, FEP Teflon, polyethylene, and graphite single crystals. The conditions and results of atomic oxygen exposure of these materials is reported by the participating organizations and then assembled to identify degrees of dependency of erosion yields that may not be observable from any single atomic oxygen low earth orbital simulation facility. To date, the program includes 30 test facilities. Characteristics of the participating test facilities and results to date are reported.

Banks, Bruce A.↗
DOE OSTI2021

Positive charging of grains in an afterglow plasma is enhanced by ions drifting in an electric field

In a plasma, the polarity of a dust grain's charge is typically negative, but it can reverse and become positive in an afterglow, when the power sustaining the plasma is switched off. This positive charging, which occurs in the afterglow's first few milliseconds, is studied for grains much larger than a few nm. It is hypothesized that the positive charging is enhanced by the presence of a dc electric field, which causes ions to drift through the neutral gas. A larger value of the reduced electric field E/N leads to a larger ion kinetic energy and thus a greater collection of positive charge on a grain. The maximum possible positive charge is attained if the grain's surface potential rises to match the ion kinetic energy, at a time before ions have departed and the grain's charge becomes frozen. Thereafter, when vacuum conditions prevail, the grain will retain its positive residual charge. In an experiment, dust grains were electrically levitated in a capacitively coupled plasma until the power was abruptly turned off. In the afterglow, grains fell faster than expected due to gravity alone, indicating a downward electric force, in the presence of a remaining dc electric field. Acceleration measurements yielded repeatable results for the residual charge's value, which was of the order +10 4 e and increased with E/N, supporting the hypothesis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Numerical Investigation of Fluid Flow and Space Charge in Liquid Argon Time Projection Chamber (LArTPC) Detectors

Overview This project focused on developing a high-fidelity numerical framework to simulate the multiphysics environment within Liquid Argon Time Projection Chamber (LArTPC) detectors. The primary objective was to characterize the complex interplay between ion transport, background fluid dynamics, and electric field distortions—a critical factor for the calibration and sensitivity of next-generation High Energy Physics experiments, such as DUNE. Technical Achievements The research successfully yielded a hybrid numerical space-charge solver utilizing a Cell-Centered Finite Volume Method (FVM) for ion transport coupled with a Finite Element Method (FEM) for electric potential. Key accomplishments include: • Verification & Validation: The 3-D solver was rigorously verified against 1-D analytical solutions, demonstrating high numerical accuracy in predicting space-charge-induced field deviations. • Field Distortion Analysis: 3D simulations revealed that space charge effects introduce significant non-uniformities in the electric field. Critically, the research identified that background LAr flow velocities, when comparable to ion drift velocities, markedly exacerbate these distortions. • Technology Transfer: The resulting source code and comprehensive user manuals were successfully transferred to collaborators at Fermilab, providing a portable computational tool for the broader scientific community. Challenges and Future Directions While the space-charge solver achieved all performance metrics, the integrated fluid dynamics modeling encountered convergence challenges stemming from the extreme 200-fold disparity in length scales between the detector's 37 mm inlet pipes and the 8-meter global domain. To address this, the project has identified a clear technical pivot toward Hierarchical Geometric Adaptive Mesh Refinement (HG-AMR). By implementing an h-type refinement strategy with hanging nodes, future iterations of this solver will be capable of resolving localized high-gradient inlet flows without the prohibitive computational costs of regular grids. This advancement, combined with data-driven uncertainty quantification based on MicroBooNE-style calibration, will enable the precise modeling of detector responses in large-scale cryogenic environments where direct measurement remains difficult. Impact The computational tools developed under this award provide a foundation for enhancing the energy resolution and spatial reconstruction of noble liquid detectors. By bridging the gap between theoretical fluid dynamics and experimental field calibration, this work supports the DOE’s mission to advance the frontiers of neutrino physics and dark matter detection.

42 ENGINEERING↗
NASA NTRS2004

Electron Emission Properties of Insulator Materials Pertinent to the International Space Station

We present the results of our measurements of the electron emission properties of selected insulating and conducting materials used on the International Space Station (ISS). Utah State University (USU) has performed measurements of the electron-, ion-, and photon-induced electron emission properties of conductors for a few years, and has recently extended our capabilities to measure electron yields of insulators, allowing us to significantly expand current spacecraft material charging databases. These ISS materials data are used here to illustrate our various insulator measurement techniques that include: i) Studies of electron-induced secondary and backscattered electron yield curves using pulsed, low current electron beams to minimize deleterious affects of insulator charging. ii) Comparison of several methods used to determine the insulator 1st and 2nd crossover energies. These incident electron energies induce unity total yield at the transition between yields greater than and less than one with either negative or positive charging, respectively. The crossover energies are very important in determining both the polarity and magnitude of spacecraft surface potentials. iii) Evolution of electron emission energy spectra as a function of insulator charging used to determine the surface potential of insulators. iv) Surface potential evolution as a function of pulsed-electron fluence to determine how quickly insulators charge, and how this can affect subsequent electron yields. v) Critical incident electron energies resulting in electrical breakdown of insulator materials and the effect of breakdown on subsequent emission, charging and conduction. vi) Charge-neutralization techniques such as low-energy electron flooding and UV light irradiation to dissipate both positive and negative surface potentials during yield measurements. Specific ISS materials being tested at USU include chromic and sulfuric anodized aluminum, RTV-silicone solar array adhesives, solar cell cover glasses, Kapton, and gold. Further details of the USU testing facilities, the instrumentation used for insulator measurements, and the NASA/SEE Charge Collector materials database are provided in other Spacecraft Charging Conference presentations (Dennison, 2003b). The work presented was supported in part by the NASA Space Environments and Effects (SEE) Program, the Boeing Corporation, and a NASA Graduate Fellowship. Samples were supplied by Boeing, the Environmental Effects Group at Marshall Space Flight Center, and Sheldahl, Inc.

Thomson, C. D.↗
DOE OSTI2024

Helium-4 gravitational form factors: Exchange currents

We evaluate the leading exchange corrections to the helium-4 gravitational form factors (GFFs) to momenta of the order of the nucleon mass. We use both the K-harmonic method with simple pair nucleon potential, and a Jastrow trial function using the Argonne 𝑣 14 potential, to evaluate the helium-4 GFFs. The exchange current contributions include the pair interaction, plus the seagull and the pion exchange interactions, modulo the recoil corrections. To estimate the off-shellness of the pion nucleon coupling in this momenta range, we discuss the results using either the pseudoscalar (PS) or pseudovector (PV) pion-nucleon couplings. When the PV coupling is used, the pair diagram contribution is higher order in the nonrelativistic expansion. The results for the helium-4 A-GFF are comparable to those given by the impulse approximation, especially for the PS coupling using both the K-harmonic method and variational method. The exchange current contributions with the PS coupling for the charge form factor of helium-4, yield better agreement with the existing data over a broad range of momenta, especially when the Argonne 𝑣 14 potential including the D-wave admixture is used.

A ≤ 5↗
NASA NTRS1994

Charged dust in planetary magnetospheres: Hamiltonian dynamics and numerical simulations for highly charged grains

We use a combination of analytical and numerical methods to investigate the dynamics of charged dust grains in planetary magnetospheres. Our emphasis is on obtaining results valid for particles that are not necessarily dominated either by gravitational or electromagnetic forces. A Hamiltonian formulation of the problem yields exact results, for all values of charge-to-mass ratio, when we introduce two constraints: particles remain in the equatorial plane and the magnetic field is taken as axially symmetric. In particular, we obtain locations of equilibrium points, the frequencies of stable periodic orbits, the topology of separatrices in phase space, and the rate of longitudinal drift. These results are significant for specific applications: motion in the nearly aligned dipolar field of Saturn, and the trajectories of arbitrarily charged particles in complex magnetic fields for limited periods of time after ejection from parent bodies. Since the model is restrictive, we also use numerical integrations of the full three-dimensional equations of motion and illustrate under what conditions the constrained problem yields reasonable results. We show that a large fraction of the intermediately charged and highly charged (gyrating) particles will always be lost to a planet's atmosphere within a few hundred hours, for motion through tilted-dipole magnetic fields. We find that grains must have a very high charge-to-mass ratio in order to be mirrored back to the ring plane. Thus, except perhaps at Saturn where the dipole tilt is very small, the likely inhabitants of the dusty ring systems are those particles that are either nearly Keplerian (weakly charged) grains or grains whose charges place them in the lower end of the intermediate charge zone. Fianlly, we demonstrate the effect of plasma drag on the orbits of gyrating particles to be a rapid decrease in gyroradius followed by a slow radial evolution of the guiding center.

Schaffer, L.↗
NASA NTRS2000

Lightning Scaling Laws Revisited

Scaling laws relating storm electrical generator power (and hence lightning flash rate) to charge transport velocity and storm geometry were originally posed by Vonnegut (1963). These laws were later simplified to yield simple parameterizations for lightning based upon cloud top height, with separate parameterizations derived over land and ocean. It is demonstrated that the most recent ocean parameterization: (1) yields predictions of storm updraft velocity which appear inconsistent with observation, and (2) is formally inconsistent with the theory from which it purports to derive. Revised formulations consistent with Vonnegut's original framework are presented. These demonstrate that Vonnegut's theory is, to first order, consistent with observation. The implications of assuming that flash rate is set by the electrical generator power, rather than the electrical generator current, are examined. The two approaches yield significantly different predictions about the dependence of charge transfer per flash on storm dimensions, which should be empirically testable. The two approaches also differ significantly in their explanation of regional variability in lightning observations.

Boccippio, D. J.↗
DOE OSTI2023

From Inside Out: How the Buried Interface, Shell Defects, and Surface Chemistry Conspire to Determine Optical Performance in Nonblinking Giant Quantum Dots

“Giant” or core/thick‐shell quantum dots (gQDs) are an important class of solid‐state quantum emitter characterized by strongly suppressed blinking and photobleaching under ambient conditions, and reduced nonradiative Auger processes. Together, these qualities provide distinguishing and useful functionality as single‐ and ensemble‐photon sources. For many applications, operation at elevated temperatures and under intense photon flux is desired, but performance is strongly dependent on the synthetic method employed for thick‐shell growth. Here, a comprehensive analysis of gQD structural properties “from the inside out” as a function of shell‐growth method is reported: successive ionic layer adsorption and reaction (SILAR) and high‐temperature continuous injection (HT‐CI), or sequential combinations of the two. Key correlations across synthesis methods, structural features (interfacial alloying, stacking‐fault density and surface‐ligand identity), and performance metrics (quantum yield, single‐gQD photoluminescence under thermal/photo stress, charging behavior and quantum‐optical properties) are identified. Surprisingly, it is found that interfacial alloying is the strongest indicator of gQD stability under stress, but this parameter is not the determining factor for Auger suppression. Furthermore, quantum yield is strongly influenced by surface chemistry and can approach unity even in the case of high shell‐defect density, while introduction of zinc‐blende stacking faults increases the likelihood that a gQD exhibits charged‐state emission.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Electrostatic Asymmetry of Wurtzite Nanocrystals and Resulting Photocatalytic Properties

Efficient light absorption and high energy of charge carriers of zinc cadmium sulfide (ZCS) make this semiconductor attractive for many photocatalytic reactions. Despite marked successes in shape-controlled synthesis of ZCS central to their photocatalytic performance, recombination of charge carriers as they migrate through the nanoscale particles results in losses of excitation energy, markedly reducing the photocatalytic activity of ZCS and other heterogeneous photocatalysts. Here, in this study, we show that the electrostatic asymmetry of nanostructures, previously discovered for nearly spherical nanoparticles, also manifests in wurtzite ZCS with planar geometry. The electrostatic asymmetry assists charge separation and substantially increases the yield of photocatalytic reactions in monocrystalline ZCS. The synthesized ZCS nanorods and nanoplates with identical chemical composition were found to have markedly different photocatalytic activity for evolution of hydrogen in water. Despite much smaller specific surface areas, the ~500 nm wide nanoplates displayed a hydrogen evolution rate 12 times higher than the ~35 nm long nanorods, also outperforming other ZCS photocatalysts. Experimental and computational data indicate that the homo- and heterojunction-free ZCS nanoplates with continuous wurtzite lattice behave essentially as nanoscale dipoles with intrinsic dipole moment as high as 48.39 D per unit cell. Electric-field-directed migration of charge carriers stimulates their localization on opposite parts of the nanoplates. Direct imaging of the intraparticle electrical field using off-axis electron holography confirmed their electrostatic asymmetry. Polarization-enhanced charge separation provides a new pathway to efficient and stable photocatalysts for sustainable energy technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

HIJING can describe the anisotropy-scaled charge-dependent correlations at the BNL Relativistic Heavy Ion Collider

The experimentally measured charge-dependent correlations in heavy-ion collisions have been suggested as a signature of the chiral magnetic effect (CME). Early model studies could not reproduce the measurement. For example, the HIJING model yielded far smaller magnitude for the charge-dependent correlation than observed in data. This led to the conclusion that the CME had to be invoked to explain the observed correlations in heavy-ion collisions. In this paper we show that this conclusion of the CME interpretation is premature. We show that the reason that HIJING predicts a far smaller correlation than data is because the elliptic anisotropy $(v_ 2)$ parameter in HIJING is too small. When properly scaled, the HIJING model can reproduce in entirety the measured correlations. Further, we also employ the AMPT model, which has a large enough $v_2$, to demonstrate that the measured data can be easily accommodated by models without invoking the CME.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Measurements of J/ ψ Production vs. Event Multiplicity in Forward Rapidity in p + p Collisions in the PHENIX Experiment

J / Ψ, a charmonium bound state made of a charm and an anti-charm quark, was discovered in the 1970s and confirmed the quark model. Because the mass of charm quarks is significantly above the quantum chromodynamics (QCD) scale Λ QCD , charmonia are considered excellent probes to test perturbative quantum chromodynamics (pQCD) calculations. In recent decades, they have been studied extensively at different high-energy colliders. However, their production mechanisms, which involve multiple scales, are still not very well understood. Recently, in high-multiplicity p + p collisions at RHIC and at the LHC, a significant enhancement of J / Ψ production yield has been observed, which suggests a strong contribution of multi-parton interaction (MPI). This is different from the traditional pQCD picture, where charm quark pairs are produced from a single hard scattering between partons in p + p collisions. In this work, we will report the J / Ψ normalized production yield as a function of normalized charged particle multiplicity over a board range of rapidity and event multiplicity in the J / Ψ → μ + μ – channel with PHENIX Run 15 p + p data at $\sqrt s$ =200 GeV. The results are compared with PYTHIA 8 simulations with the MPI option turned on and off. Finally, the outlooks of J / Ψ in p + Au and Au + p collisions, along with color glass condensate (CGC) predictions and the multiplicity-dependent Ψ(2S) /J / Ψ ratio in p + p data, will be briefly discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Inclusive and multiplicity dependent production of electrons from heavy-flavour hadron decays in pp and p-Pb collisions

Measurements of the production of electrons from heavy-flavour hadron decays in pp collisions at $\sqrt{s}$ = 13 TeV at midrapidity with the ALICE detector are presented down to a transverse momentum (p T ) of 0.2 GeV/c and up to p T = 35 GeV/c, which is the largest momentum range probed for inclusive electron measurements in ALICE. In p-Pb collisions, the production cross section and the nuclear modification factor of electrons from heavy-flavour hadron decays are measured in the p T range 0.5 < p T < 26 GeV/c at $\sqrt{s_{NN}}$= 8.16 TeV. The nuclear modification factor is found to be consistent with unity within the statistical and systematic uncertainties. In both collision systems, first measurements of the yields of electrons from heavy-flavour hadron decays in different multiplicity intervals normalised to the multiplicity-integrated yield (self-normalised yield) at midrapidity are reported as a function of the self-normalised charged-particle multiplicity estimated at midrapidity. The self-normalised yields in pp and p-Pb collisions grow faster than linear with the self-normalised multiplicity. A strong p T dependence is observed in pp collisions, where the yield of high-p T electrons increases faster as a function of multiplicity than the one of low-p T electrons. The measurement in p-Pb collisions shows no p T dependence within uncertainties. The self-normalised yields in pp and p-Pb collisions are compared with measurements of other heavy-flavour, light-flavour, and strange particles, and with Monte Carlo simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2000

A semiempirical study for the ground and excited states of free-base and zinc porphyrin-fullerene dyads

The ground and excited states of a covalently linked porphyrin-fullerene dyad in both its free-base and zinc forms (D. Kuciauskas et al., J. Phys. Chem. 100 (1996) 15926) have been investigated by semiempirical methods. The excited-state properties are discussed by investigation of the character of the molecular orbitals. All frontier MOs are mainly localized on either the donor or the acceptor subunit. Thus, the absorption spectra of both systems are best described as the sum of the spectra of the single components. The experimentally observed spectra are well reproduced by the theoretical computations. Both molecules undergo efficient electron transfer in polar but not in apolar solvents. This experimental finding is explained theoretically by explicitly considering solvent effects. The tenth excited state in the gas phase is of charge-separated character where an electron is transferred from the porphyrin donor to the fullerene acceptor subunit. This state is stabilized in energy in polar solvents due to its large formal dipole moment. The stabilization energy for an apolar environment such as benzene is not sufficient to lower this state to become the first excited singlet state. Thus, no electron transfer is observed, in agreement with experiment. In a polar environment such as acetonitrile, the charge-separated state becomes the S, state and electron transfer takes place, as observed experimentally. The flexible single bond connecting both the donor and acceptor subunits allows free rotation by ca. +/- 30 degrees about the optimized ground-state conformation. For the charge-separated state this optimized geometry has a maximum dipole moment. The geometry of the charge-separated state thus does not change relatively to the ground-state conformation. The electron-donating properties of porphyrin are enhanced in the zinc derivative due to a reduced porphyrin HOMO-LUMO energy gap. This yields a lower energy for the charge-separated state compared to the free-base dyad.

Bridged Compounds/chemistry↗