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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Direct determination of the ionic charge distribution of helium and iron in He-3-rich solar energetic particle events

The first direct measurement of the ionic charge distribution of the helium isotopes and of iron in (He-3)-Fe-rich solar energetic particle events is reported. No significant contribution of singly ionized helium to the events is found. The two-sigma upper limits for the He-3(+)/He-3(2+) and He-4(+)/He-4(2+) ratios are 0.02 and 0.03, respectively. The mean charge state of iron found by averaging five (He-3)-Fe-rich solar energetic particle events is 19 + or -2, significantly larger than the iron charge state for energetic solar particles in normal composition events. These results appear to favor the resonant heating model proposed by Fisk (1978). It is concluded that temperatures in the source region exceed 5 million K in the events under study.

Klecker, B.↗
DOE OSTI2024

Mechanically activated and deactivated ion transport across nanopores with heterogeneous surface charge distributions

To mimic the intricate and adaptive functionalities of biological ion channels, electrohydrodynamic ion transport has been studied extensively, albeit mostly, across uniformly charged nanochannels. Here, we analyze the ion transport under coupled electric field and pressure across heterogeneously charged nanopores with oppositely charged sections on their lateral surface. We only consider such pores with symmetric hourglass-like and cylindrical shapes to focus on the effects of the non-uniform surface charge distribution. Finite-element simulations of a continuum model demonstrate that a pressure applied in either direction of the pore-axis equally suppresses or amplifies the ionic conductance, depending on the electric field polarity, by distorting the quasi-static distribution of ions in the pore. The resulting anomalous mechanical deactivation and activation of ionic current under opposite voltage biases exhibit the functional modularity of our setup, while their intensities are highly tunable, substantially greater than those of analogous behaviors in other nanochannels, and fundamentally correlated to ionic current rectification (ICR) in our pores. A detailed study of ICR subsequently reveals its counterintuitive non-monotonous variations, in the pores, with the magnitude of applied voltage and the pore length, that can help optimize their diode-like behavior. We further illustrate that while the hourglass-shaped nanopores yield the more efficient mechanical suppressors of ion transport, their cylindrical analogs are the superior rectifiers and mechanical amplifiers of ion conduction. Therefore, this article provides a blueprint for the strategic design of nanofluidic circuits to attain a robust, modular, and tunable control of ion transport under external electrical and mechanical stimuli.

Physics↗
NASA NTRS1993

Critical review of electrical conductivity measurements and charge distribution analysis of magnesium oxide

The electrical conductivity sigma of MgO single crystals shows a sharp increase at 500-800 C, in particular of sigma surface, generally attributed to surface contamination. Charge Distribution Analysis (CDA), a new technique providing information on fundamental properties that was previously unavailable, allows for the determination of surface charges, their sign and associated internal electric field. Data on 99.99% purity, arc-fusion grown MgO crystals show that mobile charge carriers start to appear in the bulk of the MgO crystals between 200 and 400 C when sigma (measured by conventional techniques) is in t he 10(exp -14) to 10(exp -16) /omega/cm range. Above 500 C, as sigma increases to 10(exp -6) to 10(exp -7)/omega/cm, more charges appear giving rise to a strong positive surface charge supported by a strong internal field. This indicates that charges are generated in the bulk and diffuse to the surface by an internally controlled process. On the basis of their positive sign they are identified as holes (defect electrons). Because of the low cation content of these very pure MgO crystals, theses holes cannnot be associated with transition metal impurties. Instead, they are associated with the O(2-) sublattice, e.g. consist of O(-) states or positive holes. This conclusion is supported by magnetic susceptibility data showing the appearance of 1000 +/- 500 ppm paramagnetic species between 200-500 C. The magnetic data are consistent with strongly coupled, diamagnetic O(-) pairs below 200-500 C, chemically equivalent to peroxy anions, O2(2-), and probably associated with cation vacancies in the MgO matrix. The formation of O2(2-) in arc-fusion grown MgO crystals is very unexpected because of the highly reducing growth conditions. Their presence implies an internal redox reaction involving dissolved 'water' by which OH(-) pairs convert to O2(2-) plus H2 molecules. This redox conversion is supported by mass spectroscopic measurements of the H2 release from highly OH(-)-doped, finely divided MgO and by wet-chemical analysis of its oxidant concentration.

Freund, Friedemann↗
DOE OSTI2022

Reconfiguring band-edge states and charge distribution of organic semiconductor–incorporated 2D perovskites via pressure gating

Two-dimensional (2D) semiconductor heterostructures are key building blocks for many electronic and optoelectronic devices. Reconfiguring the band-edge states and modulating their interplay with charge carriers at the interface in a continuous manner have long been sought yet are challenging. Here, using organic semiconductor–incorporated 2D halide perovskites as the model system, we realize the manipulation of band-edge states and charge distribution via mechanical—rather than chemical or thermal—regulation. Compression induces band-alignment switching and charge redistribution due to the different pressure responses of organic and inorganic building blocks, giving controllable emission properties of 2D perovskites. We propose and demonstrate a “pressure gating” strategy that enables the control of multiple emission states within a single material. We also reveal that band-alignment transition at the organic-inorganic interface is intrinsically not well resolved at room temperature owing to the thermally activated transfer and shuffling of band-edge carriers. This work provides important fundamental insights into the energetics and carrier dynamics of hybrid semiconductor heterostructures.

42 ENGINEERING↗
DOE OSTI2022

Resolving Charge Distribution for Compositionally Heterogeneous Battery Cathode Materials

The isostructural nature of Li-layered cathodes allows for accommodating multiple transition metals (TMs). However, little is known about how the local TM stoichiometry influences the charging behavior of battery particles thus impacting battery performance. In this work, we develop heterogeneous compositional distributions in polycrystalline LiNi 1–x–y Mn x Co y O 2 (NMC) particles to investigate the interplay between local stoichiometry and charge distribution. These NMC particles exhibit a broad, continuous distribution of local Ni/Mn/Co stoichiometry, which does not compromise the global layeredness. The local Mn and Ni concentrations in individual NMC particles are positively and negatively correlated with the electrochemically induced Ni oxidation, respectively, whereas the Co concentration does not impose a clear effect on the Ni oxidation. The resulting material delivers excellent reversible capacity, rate capability, and cycle life at high operating voltages. Engineering Ni/Mn/Co distribution in NMC particles may provide a path toward controlling the charge distribution and thus chemomechanical properties of polycrystalline battery particles.

25 ENERGY STORAGE↗
DOE OSTI2023

Control of the Structural Charge Distribution and Hydration State upon Intercalation of CO 2 into Expansive Clay Interlayers

Numerous experimental investigations indicated that expansive clays such as montmorillonite can intercalate CO 2 preferentially into their interlayers and therefore potentially act as a material for CO 2 separation, capture, and storage. However, an understanding of the energy–structure relationship during the intercalation of CO 2 into clay interlayers remains elusive. Here, in this study, we use metadynamics molecular dynamics simulations to elucidate the energy landscape associated with CO 2 intercalation. Our free energy calculations indicate that CO 2 favorably partitions into nanoconfined water in clay interlayers from a gas phase, leading to an increase in the CO 2 /H 2 O ratio in clay interlayers as compared to that in bulk water. CO 2 molecules prefer to be located at the centers of charge-neutral hydrophobic siloxane rings, whereas interlayer spaces close to structural charges tend to avoid CO 2 intercalation. The structural charge distribution significantly affects the amount of CO 2 intercalated in the interlayers. These results provide a mechanistic understanding of CO 2 intercalation in clays for CO 2 separation, capture, and storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

Iron Charge Distribution as an Identifier of Interplanetary Coronal Mass Ejections

We present solar wind Fe charge state data measured on the Advanced Composition Explorer (ACE) from early 1998 to the middle of 2000. Average Fe charge states in the solar wind are typically around 9 to 11. However, deviations from these average charge states occur, including intervals with a large fraction of Fe(sup greater or = 16+) which are consistently associated with interplanetary coronal mass ejections (ICMEs). By studying the Fe charge state distribution we are able to extract coronal electron temperatures often exceeding 2 x 10(exp 6) kelvins. We also discuss the temporal trends of these events, indicating the more frequent appearance of periods with high Fe charge states as solar activity increases.

Lepri, S. T.↗
DOE OSTI2022

Direct observation of elemental fluctuation and oxygen octahedral distortion-dependent charge distribution in high entropy oxides

The enhanced compositional flexibility to incorporate multiple-principal cations in high entropy oxides (HEOs) offers the opportunity to expand boundaries for accessible compositions and unconventional properties in oxides. Attractive functionalities have been reported in some bulk HEOs, which are attributed to the long-range compositional homogeneity, lattice distortion, and local chemical bonding characteristics in materials. However, the intricate details of local composition fluctuation, metal-oxygen bond distortion and covalency are difficult to visualize experimentally, especially on the atomic scale. Here, we study the atomic structure-chemical bonding-property correlations in a series of perovskite-HEOs utilizing the recently developed four-dimensional scanning transmission electron microscopy techniques which enables to determine the structure, chemical bonding, electric field, and charge density on the atomic scale. The existence of compositional fluctuations along with significant composition-dependent distortion of metal-oxygen bonds is observed. Consequently, distinct variations of metal-oxygen bonding covalency are shown by the real-space charge-density distribution maps with sub-ångström resolution. The observed atomic features not only provide a realistic picture of the local physico-chemistry of chemically complex HEOs but can also be directly correlated to their distinctive magneto-electronic properties.

36 MATERIALS SCIENCE↗
NASA NTRS1978

The nuclear and ionic charge distribution particle experiments on the ISEE-1 and ISEE-C spacecraft

The ISEE-1 and ISEE-C instruments are designed to measure the elemental abundances, charge state composition, energy spectra, and angular distributions of energetic ions in the energy range 2 keV/charge to 80 MeV/nucleon and electrons between 75 and 1300 keV. The instrument consists of three sensor systems: (1) ULECA which is an electrostatic deflection system with rectangular solid-state detectors for the 3-560 keV/charge range; (2) ULEWATT which is a double dE/dX vs E thin-window flowthrough proportional counter/solid-state detector telescope for the 0.2-80 MeV/nucleon (Fe) range; and (3) ULEZEQ which is a combination of an electrostatic deflection analyzer and a thin-window dE/dX vs E system with thin-window proportional counter and position-sensitive solid-state detector. The applications of the instruments to solar and interplanetary phenomena and to magnetospheric acceleration and trapped particles are discussed.

Hovestadt, D.↗
NASA NTRS1992

Determination and representation of electric charge distributions associated with adverse weather conditions

Algorithms are presented for determining the size and location of electric charges which model storm systems and lightning strikes. The analysis utilizes readings from a grid of ground level field mills and geometric constraints on parameters to arrive at a representative set of charges. This set is used to generate three dimensional graphical depictions of the set as well as contour maps of the ground level electrical environment over the grid. The composite, analytic and graphic package is demonstrated and evaluated using controlled input data and archived data from a storm system. The results demonstrate the packages utility as: an operational tool in appraising adverse weather conditions; a research tool in studies of topics such as storm structure, storm dynamics, and lightning; and a tool in designing and evaluating grid systems.

Rompala, John T.↗
NASA NTRS1983

Energy and charge distribution of energetic helium ions in the outer radiation belt of the earth

The first direct measurement of the charge states of helium at energies greater than 0.5 MeV/nucleon in the outer radiation belt, obtained aboard the ISEE-1 spacecraft in 1977, is reported. High abundances of singly ionized helium, with He(+)/He(2+) = 0.4 + or - 0.1 at L = 3.3 was found during one perigee pass, with a sudden decrease of that ratio by a factor of about 10 between L = 3.3 and 3.7. It is shown that nonstationary and/or nonadiabatic processes may play an important role for the distribution of helium ions in the outer radiation belt.

Klecker, B.↗
DOE OSTI2025

Measurements of higher-order cumulants of multiplicity and net-electric charge distributions in inelastic proton-proton interactions by NA61/SHINE

This paper presents the energy dependence of multiplicity and net-electric charge fluctuations in p+p interactions at beam momenta 20, 31, 40, 80, and 158 \(\text{ Ge }\hspace{-1.00006pt}\text{ V }\!/\!c\). Results are corrected for the experimental biases and quantified with the use of cumulants and factorial cumulants. Cumulant ratios are an essential tool in the search for the critical point of strongly interacting matter in heavy ion collisions. Measurements performed in p+p interactions provide a vital baseline estimation in these studies. The measured signals are compared with the string hadronic models Epos1.99 and FTFP-BERT.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Simultaneous Control of Pore‐Space Partition and Charge Distribution in Multi‐Modular Metal–Organic Frameworks

Abstract We report here a strategy for making anionic pacs type porous materials by combining pore space partition with charge reallocation. The method uses the first negatively charged pore partition ligand (2,5,8‐tri‐(4‐pyridyl)‐1,3,4,6,7,9‐hexaazaphenalene, H‐tph) that simultaneously enables pore partition and charge reallocation. Over two dozen anionic pacs materials have been made to demonstrate their excellent chemical stability and a high degree of tunability. Notably, Ni 3 ‐bdt‐tph (bdt=1,4‐benzeneditetrazolate) exhibits month‐long water stability, while CoV‐bdt‐tph sets a new benchmark for C 2 H 2 storage capacity under ambient conditions for ionic MOFs. In addition to tunable in‐framework modules, we show feasibility to tune the type and concentration of extra‐framework counter cations and their influence on both stability and capability to separate industrial C 3 H 8 /C 3 H 6 and C 6 H 6 /C 6 H 12 mixtures.

Hong, Anh N.↗
DOE OSTI2022

Simultaneous Control of Pore-Space Partition and Charge Distribution in Multi-Modular Metal–Organic Frameworks

Here we report here a strategy for making anionic pacs type porous materials by combining pore space partition with charge reallocation. The method uses the first negatively charged pore partition ligand (2,5,8-tri-(4-pyridyl)-1,3,4,6,7,9-hexaazaphenalene, H-tph) that simultaneously enables pore partition and charge reallocation. Over two dozen anionic pacs materials have been made to demonstrate their excellent chemical stability and a high degree of tunability. Notably, Ni 3 -bdt-tph (bdt=1,4-benzeneditetrazolate) exhibits month-long water stability, while CoV-bdt-tph sets a new benchmark for C 2 H 2 storage capacity under ambient conditions for ionic MOFs. In addition to tunable in-framework modules, we show feasibility to tune the type and concentration of extra-framework counter cations and their influence on both stability and capability to separate industrial C 3 H 8 /C 3 H 6 and C 6 H 6 /C 6 H 12 mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

The charge distribution of heavy cosmic ray nuclei

In the analysis of data from a balloon flight of a detector of cosmic ray nuclei designed to study the isotopic composition, the charge composition has been measured with high resolution. Some 24,000 nuclei with Z not less than 10 have been measured with a charge resolution of 0.2 charge units. The limitations on the significance of these results are those due to the corrections for the effects of matter in the detectors and the residual atmospheric matter. These corrections are discussed and corrected results are compared with other high resolution charge spectra reported recently.

Freier, P. S.↗
NASA NTRS1982

A thundercloud electric field sounding - Charge distribution and lightning

An instrumented free balloon measured electric fields and field changes as it rose through a thundercloud above Langmuir Laboratory, New Mexico. The variation of the electric field with altitude implied that the cloud contained negative space charge of density -0.6 to -4 nC/cu m between 5.5 and 8.0 km MSL. The environmental temperature at these levels ranged from -5 to -20 C. The measurements imply that the areal extent of this negative charge center was significantly greater than that of the cloud's intense precipitation shafts. At altitudes greater than 8 km, the instrument ascended past net positive charge. In addition, positive space charge adjacent to the earth's surface (concentration 0.6 nC/cu m and in the lowest portion of the cloud (1.0 nC/cu m) is inferred from the measurements. Electric field changes from intracloud lightning were interpreted by using a simple model for the developing streamer of the initial phase. Thunder source reconstructions provided estimates for the orientation of lightning channels. Seven 'streamers' so analyzed propagated on the average, at 50,000 m/s and carried a current of 390 A. The mean charge dissipated during a flash was 30 C.

Weber, M. E.↗
DOE OSTI2021

Excited-State Charge Distribution of a Donor–π–Acceptor Zn Porphyrin Probed by N K-Edge Transient Absorption Spectroscopy

Zinc porphyrin solar cell dyes with donor-π–acceptor architectures combine light absorber (π), electron-donor, and electron-acceptor moieties inside a single molecule with atomic precision. The donor-π–acceptor design promotes the separation of charge carriers following optical excitation. Here, we probe the excited-state electronic structure within such molecules by combining time-resolved X-ray absorption spectroscopy at the N K-edge with first-principles time-dependent density functional theory (TD-DFT) calculations. Furthermore, customized Zn porphyrins with strong-donor triphenylamine groups or weak-donor tri-tert-butylbenzene groups were synthesized. Energetically well-separated N K-edge absorption features simultaneously probe the excited-state electronic structure from the perspectives of the macrocycle and triphenylamine N atoms. New absorption transitions between the macrocycle N atoms and the excited-state HOMO vacancy are observed, and the triphenylamine associated absorption feature blue-shifts, consistent with partial oxidation of the donor groups in the excited state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗