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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

NASCAP modelling of high-voltage power system interactions with space charged-particle environments

The NASA Charging Analyzer Program (NASCAP), an engineering tool capable of analyzing the impact of the charged particle environment on spacecraft surfaces and systems, is described. NASCAP is a quasi-static computational program which analyzes the charging of a 3-dimensional complex body as a function of time and system-generated voltages for given space environmental conditions. The material properties of the surfaces are taken into account; the surface potentials, low energy sheath, potential distribution in space and particle trajectories are calculated. An application of NASCAP to a simple space solar power station consisting of two 6 m by 18 m solar array wings surrounding a central body is presented. Each solar array wing is considered to be divided into three regions operating at 2000 volts. Results of NASCAP analysis of the system for a normal environment and a moderate geomagnetic substorm environment are discussed.

Stevens, N. J.↗
DOE OSTI2022

The Novel Scaling of Tsallis Parameters from the Transverse Momentum Spectra of Charged Particles in Heavy-Ion Collisions

The transverse momentum (pT) spectra of charged particles measured in Au + Au collisions from the beam energy scan (BES) program, Cu + Cu collisions at sNN=62.4, 200 GeV at the RHIC and Pb + Pb, Xe + Xe collisions at the LHC are investigated in the framework of Tsallis thermodynamics. The theory can describe the experimental data well for all the collision systems, energies and centralities investigated. The collision energy and centrality dependence of the Tsallis distribution parameters, i.e., the temperature T and the nonextensive parameter q, for the A + A collisions are also studied and discussed. A novel scaling between the temperature divided by the natural logarithm of collision energy (T/lns) and the nonextensive parameter q is presented.

Tao, Junqi↗
NASA NTRS1974

Electron collection theory for a D-region subsonic blunt electrostatic probe

Blunt probe theory for subsonic flow in a weakly ionized and collisional gas is reviewed, and an electron collection theory for the relatively unexplored case, Deybye length approximately 1, which occurs in the lower ionosphere (D-region), is developed. It is found that the dimensionless Debye length is no longer an electric field screening parameter, and the space charge field effect can be negelected. For ion collection, Hoult-Sonin theory is recognized as a correct description of the thin, ion density-perturbed layer adjacent the blunt probe surface. The large volume with electron density perturbed by a positively biased probe renders the usual thin boundary layer analysis inapplicable. Theories relating free stream conditions to the electron collection rate for both stationary and moving blunt probes are obtained. A model based on experimental nonlinear electron drift velocity data is proposed. For a subsonically moving probe, it is found that the perturbed region can be divided into four regions with distinct collection mechanisms.

Wai-Kwong Lai, T.↗
NASA NTRS1998

Development of an Outreach Program for NASA: "NASA Ambassadors"

The NASA Ambassadors Program is designed to present the excitement and importance of NASA's programs to its customers, the general public. Those customers, which are identified in the "Science Communications Strategy" developed by the Space Sciences Laboratory at the MSFC, are divided into three categories: (1) Not interested and not knowledgeable; (2) Interested but not knowledgeable; and (3) Science attentive. In it they recognize that it makes the most sense to attempt to communicate with those described in the last two categories. However, their plan suggests that the media and the educational institutions are the only means of outreach. The NASA Ambassadors Program allows NASA to reach its target audience directly. Steps to be taken in order for the program to commence: (1) MSFC chooses to support the NASA Ambassadors Program - decision point; (2) Designate an "Office In Charge". (3) Assign the "Operation" phase to in-house MSFC personnel or to a contractor - decision point; (4) Name a point of contact; (5) Identify partners in the program and enlist their assistance; (6) Process an unsolicited proposal from an outside source to accomplish those tasks which MSFC chooses to out-source.

Lebo, George↗
DOE OSTI2023

Progress towards the FRIB-EDM 3 -Frontend: A tool to provide radioactive molecules from isotope harvesting for fundamental symmetry studies

The under-construction FRIB-EDM 3 -instrument was designed to study polar radioactive molecules (such as RaF) in transparent cryogenic solids by laser spectroscopy. The instrument is divided into a frontend- and a backend section. The frontend accepts an aqueous sample from isotope harvesting and provides a mass-separated molecular ion beam in an ultra-high vacuum environment. In the backend, the ions are guided into alkali-metal vapor and the resulting neutrals are co-deposited in a solid argon matrix to perform laser spectroscopy. Here, this work addresses the frontend of the instrument. The efficient ionization of harvested radioisotopes from aqueous samples is achieved with a spray-ionization method. Subsequently, the molecular ion beam is analyzed by mass-to-charge ratio by a quadrupole mass filter. To verify the feasibility of the approach, numerical simulations with the COMSOL and SIMION packages have been conducted. While the former was applied to study transport in ion funnels, the latter was used to investigate ion beam transmission through the lower pressure sections. Following promising simulation results, a first experimental setup is under construction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1976

Worst-case space radiation environments for geocentric missions

Worst-case possible annual radiation fluences of energetic charged particles in the terrestrial space environment, and the resultant depth-dose distributions in aluminum, were calculated in order to establish absolute upper limits to the radiation exposure of spacecraft in geocentric orbits. The results are a concise set of data intended to aid in the determination of the feasibility of a particular mission. The data may further serve as guidelines in the evaluation of standard spacecraft components. Calculations were performed for each significant particle species populating or visiting the magnetosphere, on the basis of volume occupied by or accessible to the respective species. Thus, magnetospheric space was divided into five distinct regions using the magnetic shell parameter L, which gives the approximate geocentric distance (in earth radii) of a field line's equatorial intersect.

Stassinopoulos, E. G.↗
NASA NTRS1980

Catalyst surfaces for the chromous/chromic redox couple

An electricity producing cell of the reduction-oxidation (REDOX) type is described. The cell is divided into two compartments by a membrane, each compartment containing a solid inert electrode. A ferrous/ferric couple in a chloride solution serves as a cathode fluid which is circulated through one of the compartments to produce a positive electric potential disposed therein. A chromic/chromous couple in a chloride solution serves as an anode fluid which is circulated through the second compartment to produce a negative potential on an electrode disposed therein. The electrode is an electrically conductive, inert material plated with copper, silver or gold. A thin layer of lead plates onto the copper, silver or gold layer when the cell is being charged, the lead ions being available from lead chloride which was added to the anode fluid. If the REDOX cell is then discharged, the current flows between the electrodes causing the lead to deplate from the negative electrode and the metal coating on the electrode will act as a catalyst to cause increased current density.

Giner, J. D.↗
NASA NTRS1991

Thunderstorm detection and warning system atmospheric potential monitor

An new type of electric field instrumentation was developed for lighting prediction at KSC. Currently, it is being installed at several government laboratories and is being made available to the public. It has important advantages over the previous method for measuring electric fields with motor driven field mills: (1) it has no moving parts and requires little maintenance compared to rotating machinery; (2) it is unaffected by rain, snow, sand, or insects, all of which can influence field mills; and (3) the lightweight sensor can be mounted easily on a tall mast. By mounting the instrumentation on a tall mast the instrumentation is placed above much of the blanket of point discharge ions that are emitted from objects on the ground during thunderstorms. This space charge limits the ability of any ground based electric field sensor to accurately measure cloud electric fields which produce lightning. The elevated mounting was demonstrated to significantly improve monitoring of thunderstorm electric fields. This instrumentation measures the atmospheric potential relative to earth at a corona needle sensor on top of a mast which normally is mounted on a tower or roof. The needle is kept in corona at all times by a low power high voltage power supply. This produces a small cloud of ions around the needle allowing a current to flow. Measurement of the current provides the atmospheric potential. The potential divided by the height of the needle above the ground is proportional to the average electric field between the needle and earth. The potential on top of a tall pole or above a rooftop is more representative of the intensity of cloud electrification than electric field measurements made at ground level. Photographs that depict the computer terminal, video display of a two sensor system, and the individual components installed on a tower are presented.

Source record↗
DOE OSTI2021

Ultra-large-scale ab initio quantum chemical computation of bio-molecular systems: The case of spike protein of SARS-CoV-2 virus

The COVID-19 pandemic poses a severe threat to human health with an unprecedented social and economic disruption. Spike (S) glycoprotein of the SARS-CoV-2 virus is pivotal in understanding the virus anatomy, since it initiates the first contact with the ACE2 receptor in the human cell. We report results of ab initio computation of the spike protein, the largest ab initio quantum chemical computation to date on any bio-molecular system, using a divide and conquer strategy by focusing on individual structural domains. In this approach we divided the S-protein into seven structural domains: N-terminal domain (NTD), receptor binding domain (RBD), subdomain 1 (SD1), subdomain 2 (SD2), fusion peptide (FP), heptad repeat 1 with central helix (HR1-CH) and connector domain (CD). The entire Chain A has 14,488 atoms including the hydrogen atoms but excluding the amino acids with missing coordinates based on the PDB data (ID: 6VSB). The results include structural refinement, ab initio calculation of intramolecular bonding mechanism, 3- dimensional non-local inter-amino acid interaction with implications for the inter-domain interaction. Details of the electronic structure, interatomic bonding, partial charge distribution and the role played by hydrogen bond network are discussed. In the interaction among structural domains, we present new insights for crucial hinge-like movement and fusion process. Extension of such calculation to the interface between the S-protein binding domain and ACE2 receptor can provide a pathway for computational understanding of mutations and the design of therapeutic drugs to combat the COVID-19 pandemic.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1991

A CCD comparison of outer Jovian satellites and Trojan asteroids

The eight small outer Jovian satellites are not as well known as the brighter, more illustrious Galilean satellites. They are divided into two groups, each containing four satellites; the inner group travels in prograde orbits while the outer group travels in retrograde orbits. From the distinct orbital characteristics of the two groups, most of the theories of their origin involve the capture and breakup of two planetesimals upon entry into the atmosphere of proto-Jupiter. Their proximity to the Trojans asteroids has led to conjectures of a link between them and the Trojans. However, Tholen and Zellner (1984) found no red spectrum among six of the satellites and postulated that they were all C-type objects; therefore, they were unlikely to be derivatives of the Trojan population. Charge-coupled device (CCD) photometry and spectroscopy of the eight outer Jovian satellites obtained from 1987 to 1989 and a comparison between these eight satellites and the Trojan asteroids are presented.

Luu, Jane X.↗
NASA NTRS2007

Mosaic-Detector-Based Fluorescence Spectral Imager

A battery-powered, pen-sized, portable instrument for measuring molecular fluorescence spectra of chemical and biological samples in the field has been proposed. Molecular fluorescence spectroscopy is among the techniques used most frequently in laboratories to analyze compositions of chemical and biological samples. Heretofore, it has been possible to measure fluorescence spectra of molecular species at relative concentrations as low as parts per billion (ppb), with a few nm spectral resolution. The proposed instrument would include a planar array (mosaic) of detectors, onto which a fluorescence spectrum would be spatially mapped. Unlike in the larger laboratory-type molecular fluorescence spectrometers, mapping of wavelengths to spatial positions would be accomplished without use of relatively bulky optical parts. The proposed instrument is expected to be sensitive enough to enable measurement of spectra of chemical species at relative concentrations <1 ppb, with spectral resolution that could be tailored by design to be comparable to a laboratory molecular fluorescence spectrometer. The proposed instrument (see figure) would include a button-cell battery and a laser diode, which would generate the monochromatic ultraviolet light needed to excite fluorescence in a sample. The sample would be held in a cell bounded by far-ultraviolet-transparent quartz or optical glass. The detector array would be, more specifically, a complementary metal oxide/ semiconductor or charge-coupled- device imaging photodetector array, the photodetectors of which would be tailored to respond to light in the wavelength range of the fluorescence spectrum to be measured. The light-input face of the photodetector array would be covered with a matching checkerboard array of multilayer thin film interference filters, such that each pixel in the array would be sensitive only to light in a spectral band narrow enough so as not to overlap significantly with the band of an adjacent pixel. The wavelength interval between adjacent pixels (and, thus, the spectral resolution) would typically be chosen by design to be approximately equal to the width of the total fluorescence wavelength range of interest divided by the number of pixels. The unitary structure comprising the photodetector array overlaid with the matching filter array would be denoted a hyperspectral mosaic detector (HMD) array.

Son, Kyung-Ah↗
DOE OSTI2025

Hydrogen-Battery Hybrid Energy System on Repurposed Offshore Platforms for Efficient Clean-Energy Transition

Due to the rising global energy demand and enhanced awareness of the environmental impact of fossil fuels, the Gulf of Mexico, traditionally known for oil extraction, offers a distinct chance to repurpose the existing offshore infrastructure. With the depletion of oil reserves, it is feasible to adapt previously utilized floating platforms for extraction to generate renewable energy, specifically through wind-generated power and hydrogen production. This adaptation seeks to promote a transport system that is more ecologically friendly in the future. Offshore wind turbines serve as the main energy source, with help from battery storage and hydrogen production to enhance the overall system performance, hydrogen creation, fuel, and electricity delivery for sustainable energy production. The system is divided into two distinct cases, each evaluated for cost, performance, and feasibility, with a focus on minimizing both the Levelized Cost of Energy (LCOE) and the Levelized Cost of Hydrogen (LCOH). The first case examines the integration of offshore wind turbines with hydrogen production. Excess electricity generated by wind turbines is directed toward hydrogen production via electrolysis. The hydrogen produced can be used as fuel for vehicles or transported to the shore via pipelines. The second case investigates a technology that combines wind turbines with battery storage. The batteries possess an ability to supply electricity for a continuous duration of 4 hours maximum each day. The main objective is to reduce the LCOE by considering the battery's charging and discharging cycles, together with the uncertain attributes of wind power and battery deterioration. The produced energy can be distributed for onshore applications or utilized for the purpose of offsetting offshore loads such as subsea oil and gas production, transportation, etc. The offshore hydrogen-battery hybrid system is improved via three advanced algorithms, Particle Swarm Optimization (PSO), and Grey Wolf Optimizer (GWO). In Case 1, PSO improves hydrogen production by efficiently managing the electrolyzer’s power consumption, decreasing production costs significantly. Particle Swarm Optimization (PSO) is applied to improve the efficiency of the electrolyzer, reducing production costs and achieving an optimized CAPEX of $240.00 million (from an initial $300.00 million) and OPEX of $9.60 million per year. This system produces 4,720,000 kg of hydrogen annually, with a Levelized Cost of Hydrogen (LCOH) of $6.40/kg and an annual profit of $9.27 million. In Case 2, GWO effectively reduces the overall energy cost by improving the charge-discharge management of batteries, which extends battery life and optimizes their use. The second case focuses on integrating battery storage, optimized using the Grey Wolf Optimizer (GWO), which enhances battery charge-discharge cycles, extending battery life and lowering costs. This system achieves an optimized CAPEX of $204.80 million (from an initial $256.00 million) and OPEX of $9.29 million per year, producing 310883.39 MWh of electricity annually at a Levelized Cost of Energy (LCOE) of $86.13/MWh, with an annual profit of $6.25 million. The implementation of a comprehensive strategy results in a substantial reduction in costs, improved energy efficiency, and a dependable supply of both electric power and hydrogen, emphasizing the benefits of converting offshore oil platforms for clean energy transition. This study explores a clean strategy to enable cost-effective repurposing of offshore O&G platforms. Both cases highlight the economic and technical feasibility of transitioning offshore oil platforms to clean energy systems, demonstrating substantial cost reductions and reliable energy and hydrogen supplies for sustainable energy production.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Real Time Observation of Lithium Insertion into Pre-Cycled Conversion-Type Materials

Conversion-type electrode materials for lithium-ion batteries experience significant structural changes during the first discharge–charge cycle, where a single particle is taken apart into a number of nanoparticles. This structural evolution may affect the following lithium insertion reactions; however, how lithiation occurs in pre-cycled electrode materials is elusive. In this work, in situ transmission electron microscopy was employed to see the lithium-induced structural and chemical evolutions in pre-cycled nickel oxide as a model system. The introduction of lithium ions induced the evolution of metallic nickel, with volume expansion as a result of a conversion reaction. After pre-cycling, the phase evolutions occurred in two separate areas almost at the same time. This is different from the first lithiation, where the phase change takes place successively, with a boundary dividing the reacted and unreacted areas. Structural changes were restricted at the areas having large amount of fluorine, implying the residuals from the decomposition of electrolytes may have hindered the electrochemical reactions. This work provides insights into phase and chemical evolutions in pre-cycled conversion-type materials, which govern electrochemical properties during operation.

25 ENERGY STORAGE↗
NASA NTRS1981

Cleaning devices

Cleaning devices are described which include a vacuum cleaner nozzle with a sharp rim for directing incoming air down against the floor; a vacuum cleaner wherein electrostatically charged brushes that brush dirt off a floor, are electrically grounded to remove charges that could tend to hold dirt to the brushes; a vacuum cleaner head having slots that form a pair of counter-rotating vortices, and that includes an outlet that blows a stream of air at the floor region which lies between the vortices; a cleaning device that sweeps a group of brushes against the ground along a first direction, and then sweeps them along the same ground area but in a second direction angled from the first by an amount such as 90.degree., to sweep up particles lying in crevices extending along any direction; a device that gently cleans a surface to remove bacteria for analysis, including an inclined wall along which cleaning fluid flows onto the surface, a vacuum chamber for drawing in the cleaning fluid, and a dividing wall spaced slightly from the surface to separate the fluid source from the vacuum cleaner chamber; and a device for providing pulses of pressured air including a chamber to which pressured air is supplied, a ball that circulates around the chamber to repeatedly close an outlet, and an air source that directs air circumferentially to move the ball around the chamber.

Schneider, Horst W.↗
NASA NTRS2008

Chromosome Aberration in Human Blood Lymphocytes Exposed to Energetic Protons

During space flight, astronauts are exposed to a space radiation consisting of high-energy protons, high charge and energy (HZE) nuclei, as well as secondary particles that are generated when the primary particles penetrate the spacecraft shielding. Secondary particles have a higher LET value than primary protons and therefore expected to have a higher relative biological effectiveness (RBE). To investigate this theory, we exposed human peripheral blood lymphocytes to protons with energies of 250 MeV, 800MeV, 2 GeV, or 2.5 GeV. LET values for these protons ranged from 0.4 to 0.2 keV/micrometer. and doses ranged from 0.2 to 3 Gy. Over this energy the probability of nuclear reaction leading to secondary radiation, and the multiplicity of reaction produces such as neutrons and mesons increases substantially. The effect of aluminum and polyethylene shielding was also assessed using the 2 GeV and 2.5GeV proton beams. After exposure lymphocytes were stimulated to divide and chromosomes were collected from cells in the first G2 and metaphase cell cycle after exposure using a chemical induced premature chromosome condensation (PCC) technique. Dose response data for chromosome damage was analyzed using the fluorescence in situ hybridization (FISH) chromosome painting technique. Selected samples were also analyzed with multicolor FISH (mFISH) and multicolor banding FISH (mBAND) techniques. Data indicates that the dose response for simple-type exchanges is similar for proton and gamma exposure, whereas protons induce higher yields of complex exchanges that are LET dependent. RBE values will be presented for each proton energy, and the effects of shielding and possible cytogenetic signatures of proton exposure will be discussed.

Hada, M.↗
NASA NTRS2003

The Micro-Arcsecond Metrology Testbed

The Micro-Arcsecond Metrology (MAM) testbed is a ground-based system of optical and electronic equipment for testing components, systems, and engineering concepts for the Space Interferometer Mission (SIM) and similar future missions, in which optical interferometers will be operated in outer space. In addition, the MAM testbed is of interest in its own right as a highly precise metrological system. The designs of the SIM interferometer and the MAM testbed reflect a requirement to measure both the position of the starlight central fringe and the change in the internal optical path of the interferometer with sufficient spatial resolution to generate astrometric data with angular resolution at the microarcsecond level. The internal path is to be measured by use of a small metrological laser beam of 1,319-nm wavelength, whereas the position of the starlight fringe is to be estimated by use of a charge-coupled-device (CCD) image detector sampling a large concentric annular beam. For the SIM to succeed, the optical path length determined from the interferometer fringes must be tracked by the metrological subsystem to within tens of picometers, through all operational motions of an interferometer delay line and siderostats. The purpose of the experiments performed on the MAM testbed is to demonstrate this agreement in a large-scale simulation that includes a substantial portion of the system in the planned configuration for operation in outer space. A major challenge in this endeavor is to align the metrological beam with the starlight beam in order to maintain consistency between the metrological and starlight subsystems at the system level. The MAM testbed includes an optical interferometer with a white light source, all major optical components of a stellar interferometer, and heterodyne metrological sensors. The aforementioned subsystems are installed in a large vacuum chamber in order to suppress atmospheric and thermal disturbances. The MAM is divided into two distinct subsystems: the test article (TA), which is the interferometer proper, and the inverse interferometer pseudo-star (IIPS), which synthesizes the light coming from a distant target star by providing spatially coherent wavefronts out of two mirrors, separated by the MAM baseline, that feed directly into two siderostats that are parts of the TA. The two feed mirrors of the IIPS are articulated (in translation and tilt) in order to simulate stars located at different orientations in space, while still illuminating the TA siderostats. The spectrum of the simulated starlight of the IIPS corresponds to that of a blackbody at a temperature of about 3,100 K.

Goullioud, Renaud↗
NASA NTRS2006

Using Quasiparticle Poisoning To Detect Photons

According to a proposal, a phenomenon associated with excitation of quasiparticles in certain superconducting quantum devices would be exploited as a means of detecting photons with exquisite sensitivity. The phenomenon could also be exploited to perform medium-resolution spectroscopy. The proposal was inspired by the observation that Coulomb blockade devices upon which some quantum logic gates are based are extremely sensitive to quasiparticles excited above the superconducting gaps in their leads. The presence of quasiparticles in the leads can be easily detected via the charge states. If quasiparticles could be generated in the leads by absorption of photons, then the devices could be used as very sensitive detectors of electromagnetic radiation over the spectral range from x-rays to submillimeter waves. The devices in question are single-Cooper-pair boxes (SCBs), which are mesoscopic superconducting devices developed for quantum computing. An SCB consists of a small superconducting island connected to a reservoir via a small tunnel junction and connected to a voltage source through a gate capacitor. An SCB is an artificial two-level quantum system, the Hamiltonian of which can be controlled by the gate voltage. One measures the expected value of the charge of the eigenvectors of this quantum system by use of a radio-frequency single-electron transistor. A plot of this expected value of charge as a function of gate voltage resembles a staircase that, in the ideal case, consists of steps of height 2 e (where e is the charge of one electron). Experiments have shown that depending on the parameters of the device, quasiparticles in the form of "broken" Cooper pairs present in the reservoir can tunnel to the island, giving rise to steps of 1 e. This effect is sometimes called "poisoning." Simulations have shown that an extremely small average number of quasiparticles can generate a 1-e periodic signal. In a device according to the proposal, this poisoning would be turned to advantage. Depending on the wavelength, an antenna or other component would be used to couple radiation into the reservoir, wherein the absorption of photons would break Cooper pairs, thereby creating quasiparticles that, in turn, would tunnel to the island, creating a 1-e signal. On the basis of conservative estimates of device parameters derived from experimental data and computational simulations that fit the data, it has been estimated that the noise equivalent power of a device according to the proposal could be as low as 6 10(exp -22) W/Hz(exp 1/2). It has also been estimated that the spectroscopic resolution (photon energy divided by increment of photon energy) of such a device in visible light would exceed 100.

Echternach, Pierre↗
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↗