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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
DOE OSTI2023

Initial Characterization and Optimization of the Liquid Sampling-Atmospheric Pressure Glow Discharge Ionization Source Coupled to an Orbitrap Mass Spectrometer for the Determination of Plutonium

Plutonium measurements are essential to the nuclear forensics and safeguards community. The liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma ionization source coupled with an Orbitrap mass spectrometer is a proven platform for uranium isotope ratio determinations. Here, this work expands the LS-APGD-Orbitrap platform capabilities by reporting the first-ever analysis of plutonium with the LS-APGD and the first-ever measurement of elemental plutonium with an Orbitrap mass spectrometer. This coupling has the potential to dramatically reduce the complex sample manipulations required for traditional analysis techniques employed for actinide isotope ratio determinations. As a first step toward the goal of simultaneous uranium and plutonium isotope ratio determinations, the initial characterization and optimization of the platform for the detection of plutonium are reported. Collision-induced dissociation modality settings were optimized to reduce water-related and other molecular clusters containing plutonium, maximizing 242 Pu 16 O 2 + responses. A design of experiments study was conducted to optimize the discharge conditions of the dual-electrode LS-APGD toward the responsivity of 242 Pu 16 O 2 +. The measurement sensitivity was determined from a Pu response curve, yielding a limit of detection of 10 fg (absolute) of total analyte when data was collected and processed with a Spectroswiss FTMS Booster X2 data acquisition system. Additionally, plutonium and uranium were measured in a simultaneous acquisition, and each analyte remained unaffected by the other. It is believed that the LS-APGD-Orbitrap platform could be a valuable addition to the nuclear forensics’ toolbox and, indeed, other scientific disciplines and regulatory communities in which rapid, high-resolution plutonium determinations are paramount.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Variations in pharmacokinetic-pharmacodynamic target values across MICs and their potential impact on determination of susceptibility test interpretive criteria

Abstract Background An antibacterial drug’s susceptibility test interpretive criteria (STIC) are determined by integrating clinical, microbiological and pharmacokinetic-pharmacodynamic (PK-PD) data. PTA analysis plays a pivotal or supportive role in STIC determination and is heavily dependent on the PK-PD target values determined from animal PK-PD studies. Therefore, variations in PK-PD target values may impact STIC determination. Factors contributing to variation in the PK-PD target values include the number of and MICs for bacterial isolates used in animal PK-PD studies. Objectives To analyse the relationship between PK-PD target values and MICs, describe the variations in PK-PD target values of isolates and evaluate whether the proposed/target STICs were within the ranges of the MICs for isolates used in animal PK-PD studies. Methods A database was compiled for this research by screening animal PK-PD study reports submitted to the FDA from 10 new drug applications (NDAs). Results A relationship evaluation between PK-PD target values and MICs for tested isolates for seven drugs (that used AUC/MIC ratio as the PK-PD index) showed that, generally, the AUC/MIC values decreased with an increase in MIC. These target values were highly variable, with the percentage coefficient of variation ranging between 1% and 132% for isolates having the same MIC. For 16/27 (59%) drug/bacteria combinations from all 10 drugs, the proposed/target STICs were higher than the highest MIC for bacteria isolates evaluated, while 6/27 (22.5%) were lower. Conclusions This research suggests that careful considerations related to selection of bacterial isolates for animal PK-PD studies could strengthen the STIC determination process.

Waack, Ursula↗
DOE OSTI2024

Shallow core levels, or how to determine the doping and T c of Bi 2 Sr 2 CaCu 2 O 8 + δ and Bi 2 Sr 2 CuO 6 + δ without cooling

In this study, determining the doping level in high-temperature cuprate superconductors is crucial for understanding the origin of superconductivity in these materials and for unlocking their full potential. However, accurately determining the doping level remains a significant challenge due to a complex interplay of factors and limitations in various measurement techniques. In particular, in Bi 2 Sr 2 CuO 6+δ and Bi 2 Sr 2 CaCu 2 O 8+δ , where the mobile carriers are introduced by non-stoichiometric oxygen δ, the determination has been extremely problematic. Here, we study the doping dependence of the electronic structure of these materials in angle-resolved photoemission and find that both the doping level, p, and the superconducting transition temeprature, T c can be precisely determined from the binding energy of the Bi 5d core-levels. The measurements can be performed at room temperature, enabling the determination of p and T c without cooling the samples. This should be very helpful for further studies of these materials

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Computational Determination of the Refractive Index of TATB, LLM-105, β-HMX, & α-RDX

In this study, we use Materials Studio CASTEP, an ab initio quantum mechanical (QM) program employing density functional theory (DFT), to compute the refractive index (RI) of solid energetic materials, specifically, PETN (tetragonal phase), TATB, LLM-105, β-HMX, and α-RDX. The use of quantum mechanical DFT methods affords the investigation of the optical mate rial properties of a system without the need for any experimental input. The RI values of PETN and TATB have been experimentally determined previously and are compared here to the QM derived RI values as validation of the theoretical approach in determining material optical proper ties. To date, experimental measurements to determine the RI values for LLM-105 have yet to be determined. This fact obviates the need to determine LLM-105 RI values using quantum mechanical means.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Application of Raman Spectroscopy to Determine Uranium Content in ADUN Solution

The work presented in this report is part of the ongoing efforts to address the nuclear material control and accounting needs for advanced reactor fuel fabrication facilities. This work was supported by the Materials Protection, Accounting, and Control Technologies (MPACT) program under the US Department of Energy Office of Nuclear Energy‘s Nuclear Fuel Cycle and Supply Chain program. The activities and engagements under the MPACT program are designed to support a robust US civilian nuclear energy enterprise. In the work described in this report, we supported MPACT objectives by developing measurement techniques that could be used for material accounting and process monitoring and by working with industry partners to identify existing gaps and areas for improvement. Oak Ridge National Laboratory has been working with commercial tristructural isotropic (TRISO) fuel fabricators such as Standard Nuclear to develop technology for rapid and cost-effective uranium content assessment. This work has focused on demonstrating advanced measurement techniques (e.g., Raman spectroscopy) that can be used for rapid, reliable, and cost-effective routine measurements of uranium content in feed solutions and liquid waste streams as well as for monitoring in-line process measurements and product streams. Specifically, this report explores techniques for accurately determining uranium content in acid-deficient uranyl nitrate (ADUN) solutions and detecting low uranium concentrations in ammonia solutions. Developing such measurement techniques will benefit TRISO fuel fabrication facilities, facilities involved in other parts of the fuel cycle that require online monitoring of aqueous solutions, and potentially molten salt fuel reactors. This work supports developing Raman spectroscopy procedures to determine uranium concentrations in ADUN solutions, which are used as feedstock in the sol–gel process for creating TRISO fuel. Some additional benefits of using Raman spectroscopy for uranium quantification in fabrication facilities include enabling online monitoring of the chemical process, which would provide near real-time feedback; eliminating the need for sample transfers, preparation, or dilution; providing nondestructive measurements; and user friendliness. In this fiscal year, FY25, we determined the identity of the unknown Raman band at approximately 853 cm−1 that was discovered in ADUN Raman spectra in FY24, created calibration curves and determined uranium concentrations of two ADUN solutions, and compared the Raman results to results obtained from inductively coupled plasma mass spectrometry and Davies–Gray titration. Furthermore, we have identified focus areas for experimentation in future fiscal years. A key result is that the accuracy of using Raman can provide accuracy comparable to destructive analysist techniques, With a well-developed calibration curve, using standards and a large number of samples (more than five samples), uncertainty on the order of 1%–3% is achievable. Given that the uncertainties achieved by Raman spectroscopy were on the order of the uncertainties achieved using ICP-MS, we conclude that with a well-developed procedure Raman spectroscopy can be used to determine uranium concentrations in ADUN solutions for NMC&A applications. The benefits of such an approach are that the time and effort will be less than that of comparable destructive analysis techniques, with approximately the same level of technical expertise. This will be attractive to operators of fuel fabrication facilities as it will lower costs and improve efficiencies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Tetrafluoroboric Acid Digestion for Accurate Determination of Rare Earth Elements in Coal and Fly Ash by ICP-MS Analysis

Coal and coal-related fly ash often contain rare earth elements (REEs) that have the potential to be utilized as valuable mineral resources. Accurately determining the REE content in coal and fly ash is crucial for resource evaluation. The conventional approach involves using hydrofluoric acid (HF) to dissolve silicates and release REEs, which, however, prolongs the digestion process due to the additional step of complexing fluoride ions (F−) with boric acid (H3BO3). Determining the correct amount of H3BO3 for neutralization can be challenging, and in some instances, the binding of fluoride ions with certain lanthanides (Lns) hampers the accurate determination of all 14 naturally occurring rare earth elements in a single digestion batch by inductively coupled plasma mass spectrometry (ICP-MS). In this study, we present an alternative method that achieves the accurate determination of all 14 naturally occurring REEs using tetrafluoroboric acid (HBF4) followed by ICP-MS analysis. This approach eliminates the need for an F− complexing step. We tested this method on certified REE reference materials, including NIST 1632e (coal) and NIST 1633c (fly ash), as well as the REE geological reference material USGS AGV-1 (andesite). Our results demonstrated excellent recovery rates (relative standard deviation, RSD < ±10%), with a correlation coefficient (r2) exceeding 0.99. Using this method, we investigated the concentrations of all 14 REEs in coal and fly ash samples collected from various locations in the southwestern USA. This improved digestion technique streamlines the analysis process and enhances the accuracy of REE determination, facilitating a more comprehensive evaluation of REE-rich coal and fly ash deposits for resource exploration.

58 GEOSCIENCES↗
NASA NTRS1974

The geoid: Definition and determination

The determination of the geoid has been one of the prime goals of geodesy. Knowledge of geoid undulations with respect to some reference surface was needed for the determination of the figure of the earth, for the precise reduction of distance measurements to a reference ellipsoid, and for the determination of the geocentric location of points on the surface of the earth. Currently and in the future, undulation information can also be used in geophysical studies related to crustal structures and in oceanographic studies related to sea surface topography. The actual determination of global geoids has been carried out by using gravimetric data, satellite‐derived information related to the gravitational field of the earth, or a combination of the two techniques. Regional geoid determinations have been made by astrogeodetic techniques. For some applications of undulation information, undulation standard deviations of the order of ±5 m would be sufficient. Such an accuracy can be obtained by using data currently available. In the past few years, renewed interest in the geoid arose when the concept of satellite altimetry was proposed to measure the distance from the satellite to some area on the ocean surface.

Richard H. Rapp↗
NASA NTRS1978

Determination of boron and lithium by recording the products from (n, alpha) reactions

Irradiation with thermal neutrons in the VVR-S reactor provides a nondestructive method for determining the presence of boron and lithium in solids. The charged particles produced in the reactions Li-6(n,alpha)H-3 and B-10(n,alpha)Li-7 were detected using CsI single crystal. For alpha-particle spectrometry in the boron determination, an ionization chamber (W and Sn electrodes, 99% Ar + 1% H2) was developed allowing both absolute and relative measurements. In determining boron in lithium-containing samples, both scintillation and ionization chambers are used. In determining lithium in minerals, the error was 1.5%, and the sensitivity 0.00005 wt.%. In the determination of boron in SiC with a concentration of boron approximately (3 plus or minus 2) the error given by the alpha-range uncertainty was 15%.

Lobanov, Y. M.↗
NASA NTRS1978

The GEOS-3 orbit determination investigation

The nature and improvement in satellite orbit determination when precise altimetric height data are used in combination with conventional tracking data was determined. A digital orbit determination program was developed that could singly or jointly use laser ranging, C-band ranging, Doppler range difference, and altimetric height data. Two intervals were selected and used in a preliminary evaluation of the altimeter data. With the data available, it was possible to determine the semimajor axis and eccentricity to within several kilometers, in addition to determining an altimeter height bias. When used jointly with a limited amount of either C-band or laser range data, it was shown that altimeter data can improve the orbit solution.

Pisacane, V. L.↗
NASA NTRS1978

On-board Attitude Determination System (OADS)

The requirements, capabilities and system design for an on-board attitude determination system (OADS) to be flown on advanced spacecraft missions were determined. Based upon the OADS requirements and system performance evaluation, a preliminary on-board attitude determination system is proposed. The proposed OADS system consists of one NASA Standard IRU (DRIRU-2) as the primary attitude determination sensor, two improved NASA Standard star tracker (SST) for periodic update of attitude information, a GPS receiver to provide on-board space vehicle position and velocity vector information, and a multiple microcomputer system for data processing and attitude determination functions. The functional block diagram of the proposed OADS system is shown. The computational requirements are evaluated based upon this proposed OADS system.

Carney, P.↗
NASA NTRS1979

Feasibility of determining flat roof heat losses using aerial thermography

The utility of aerial thermography for determining rooftop heat losses is investigated. Actual rooftop heat losses were obtained both from in-situ instrumentation of test roofs with known thermal resistances and aerial thermography obtained from overflights at an altitude of 305 m. It is found that the roof heat losses calculated using the remotely determined roof temperature agreed to within 17% of those calculated from ground measurements. However it is noted that an acceptable quantitative determination of roof heat losses using aerial thermography is only feasible when the convective term is accurately known or minimized. In addition, the sensitivity of the heat loss determination to environmental conditions is also evaluated. Finally, the analysis shows that the most reliable determinations can probably be obtained under conditions of total cloud cover with low wind speeds and at low ambient temperatures.

Bowman, R. L.↗
NASA NTRS1980

Incorporation of star measurements for the determination of orbit and attitude parameters of a geosynchronous satellite: An iterative application of linear regression

Currently on NOAA/NESS's VIRGS system at the World Weather Building star images are being ingested on a daily basis. The image coordinates of the star locations are measured and stored. Subsequently, the information is used to determine the attitude, the misalignment angles between the spin axis and the principal axis of the satellite, and the precession rate and direction. This is done for both the 'East' and 'West' operational geosynchronous satellites. This orientation information is then combined with image measurements of earth based landmarks to determine the orbit of each satellite. The method for determining the orbit is simple. For each landmark measurement one determines a nominal position vector for the satellite by extending a ray from the landmark's position towards the satellite and intersecting the ray with a sphere with center coinciding with the Earth's center and with radius equal to the nominal height for a geosynchronous satellite. The apparent motion of the satellite around the Earth's center is then approximated with a Keplerian model. In turn the variations of the satellite's height, as a function of time found by using this model, are used to redetermine the successive satellite positions by again using the Earth based landmark measurements and intersecting rays from these landmarks with the newly determined spheres. This process is performed iteratively until convergence is achieved. Only three iterations are required.

Phillips, D.↗
NASA NTRS1983

Multisatellite attitude determination/optical aspect bias determination (MSAD/OABIAS) system description and operating guide. Volume 1: Introduction and analysis

The Multisatellite Attitude Determination/Optical Aspect Bias Determination (MSAD/OABIAS) System, designed to determine spin axis orientation and biases in the alignment or performance of optical or infrared horizon sensors and Sun sensors used for spacecraft attitude determination is described. MSAD/OABIAS uses any combination of eight observation models to process data from a single onboard horizon sensor and Sun sensor to determine simultaneously the two components of the attitude of the spacecraft, the initial phase of the Sun sensor, the spin rate, seven sensor biases, and the orbital in-track error associated with the spacecraft ephemeris information supplied to the system. In addition, the MSAD/OABIAS System provides a data simulator for system and performance testing, an independent deterministic attitude system for preprocessing and independent testing of biases determined, and a multipurpose data prediction and comparison system.

Joseph, M.↗
NASA NTRS1983

Multisatellite attitude determination/optical aspect bias determination (MSAD/OABIAS) system description and operating guide. Volume 3: Operating guide

The Multisatellite Attitude Determination/Optical Aspect Bias Determination (MSAD/OABIAS) System, designed to determine spin axis orientation and biases in the alignment or performance of optical or infrared horizon sensors and Sun sensors used for spacecraft attitude determination, is described. MSAD/OABIAS uses any combination of eight observation models to process data from a single onboard horizon sensor and Sun sensor to determine simultaneously the two components of the attitude of the spacecraft, the initial phase of the Sun sensor, the spin rate, seven sensor biases, and the orbital in-track error associated with the spacecraft ephemeris information supplied to the system. In addition, the MSAD/OABIAS system provides a data simulator for system and performance testing, an independent deterministic attitude system for preprocessing and independent testing of biases determined, and a multipurpose data prediction and comparison system.

Joseph, M.↗
NASA NTRS1983

Voyager orbit determination at Jupiter

This paper summarizes the Voyager 1 and Voyager 2 orbit determination activity extending from encounter minus 60 days to the Jupiter encounter, and includes quantitative results and conclusions derived from mission experiences. The major topics covered include an identification and quantification of the major orbit determination error sources and a review of salient orbit determination results from encounter, with emphasis on the Jupiter approach phase orbit determination. Special attention is paid to the use of combined spacecraft-based optical observations and earth-based radiometric observations to achieve accurate orbit determination during the Jupiter encounter approach phase.

Campbell, J. K.↗
NASA NTRS1985

Dynamic characteristics of statically determinate space-truss platforms

The geometry of a class of statically determinate platforms is developed and vibration frequencies determined. Such configurations would allow shape control by changing member lengths to be accomplished with small forces. An additional advantage of a statically determinate structure is being free of thermal stress under any temperature distribution. Frequency comparisons between statically determinate and more conventional redundant platforms are presented. Vibration of curved platforms that could be used as antenna concepts is also investigated. Alternate concepts incorporating the statically determinate design but having improved dynamic characteristics are suggested.

Anderson, M. S.↗
NASA NTRS1986

Determination of band oscillator strengths of atmospheric molecules from high resolution vacuum ultraviolet cross section measurements

An account is given of progress in work on (1) the determination of band oscillator strengths of the Schumann-Runge absorption bands of (16)O2 and (18)O2 from cross section measurements conducted at 79 K; (2) the determination of the absolute absorption cross section of the Schumann-Runge bands of (16)O(18)O from optical depth measurements performed on mixtures of (16)O2, (18)O2 and (16)O(18)O at 79K; and (3) the influence of Schumann-Runge linewing contributions on the determination of the Herzberg continuum absorption cross section of (16)O2 in the wavelength region 194 to 204 nm. The experimental investigations are effected at high resolution with a 6.65 m scanning spectrometer which is, by virtue of its small instrumental width (EWHM = 0.0013 nm), uniquely suitable for cross section measurements of molecular bands with discrete rotational structure. Absolute cross sections, which are independent of the instrumental function and from which band oscillator strengths are directly determined, are measured for the absorption bands that are most predissociated. Such measurements are needed for (1) accurate calculations of the stratospheric production of atomic oxygen and heavy ozone formed following the photopredissociation of (18)O(16)O by solar radiation penetrating between the absorption lines of (16)O2; (2) elucidation of the mechanism of predissociation of the upper state of the Schumann-Runge bands; and (3) determination of the true shape of the Herzberg continuum cross section.

Parkinson, W. H.↗
NASA NTRS1985

Assisting extrasolar planetary detection through the determination of stellar space orientations

Various methods outlined for indirect planetary detection would greatly benefit (in some cases require) the determination of the planetary orbital plane, which is theoretically equivalent to the stellar equatorial plane. Determining the stellar space orientation, therefore, would greatly benefit extrasolar planetary detection. Stellar rotation periods determined from short-term variations in Ca II H and K sunspot emission are utilized together with both stellar radii measurements and Doppler-broadened spectral line profiles to get the stellar inclination to the line of sight. The clocklike on-the-plane-of-the-sky component determination utilizes the concentration of sunspot-associated plage areas at central stellar latitudes when viewed in Ca II H or K emission. One can perform Ca II H and K emission speckle interferometry to measure the clocklike angle of this stellar Ca II H and K emission band, modeling it as an elliptical intensity distribution. Both components should be determinable to within 10 deg for at least the resolvable fifth magnitude stars.

Doyle, L. R.↗