Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Positioning Resolution”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Structural and dynamic mechanisms of GABA A receptor modulators with opposing activities

γ-Aminobutyric acid type A (GABA A ) receptors are pentameric ligand-gated ion channels abundant in the central nervous system and are prolific drug targets for treating anxiety, sleep disorders and epilepsy. Diverse small molecules exert a spectrum of effects on γ-aminobutyric acid type A (GABA A ) receptors by acting at the classical benzodiazepine site. They can potentiate the response to GABA, attenuate channel activity, or counteract modulation by other ligands. Structural mechanisms underlying the actions of these drugs are not fully understood. Here we present two high-resolution structures of GABA A receptors in complex with zolpidem, a positive allosteric modulator and heavily prescribed hypnotic, and DMCM, a negative allosteric modulator with convulsant and anxiogenic properties. These two drugs share the extracellular benzodiazepine site at the α/γ subunit interface and two transmembrane sites at β/α interfaces. Structural analyses reveal a basis for the subtype selectivity of zolpidem that underlies its clinical success. Molecular dynamics simulations provide insight into how DMCM switches from a negative to a positive modulator as a function of binding site occupancy. Together, these findings expand our understanding of how GABA A receptor allosteric modulators acting through a common site can have diverging activities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Random forest models accurately classify synthetic opioids using high-dimensionality mass spectrometry datasets

Detection of novel threat agents presents several challenges, a principle one being the development of untargeted methods to screen an increasing number of threat chemicals whose exact structures are unknown. With the use of Machine Learning (ML) tools, we can guide the development of analytical methods for broad-spectrum detection of unbounded threat chemical families in complex mixtures. Toward this goal, we used nominal mass and high-resolution mass spectrometry data for hundreds of synthetic opioids and non-opioid compounds. We tested two ML techniques, logistic regression and random forest, to develop models towards a practical, implementable method for opioid detection. We found that of these tested ML methods, random forest models resulted in the highest validation accuracy (95+%) for both nominal mass and high-resolution classification of opioids versus non-opioids, with low false positive and false negative rates. The RF models were then used to successfully predict the classification of 10 compounds—five opioids and five non-opioids not part of the training and validation analysis. This application of ML is a critical step towards the development of field-deployable nominal mass spectrometers with ML-driven analyses for classification of emergent threats.

Chemistry↗
DOE OSTI2021

Two-dimensional retrieval methods for ultrafast imaging of molecular structure using laser-induced electron diffraction

Molecular structural retrieval based on electron diffraction has been proposed to determine the atomic positions of molecules with sub-angstrom spatial and femtosecond temporal resolutions. Given its success on small molecular systems, in this work, we point out that the accuracy of structure retrieval is constrained by the availability of a wide range of experimental data in the momentum space in all molecular systems. To mitigate the limitations, for laser-induced electron diffraction, here we retrieve molecular structures using two-dimensional (energy and angle) electron momentum spectra in the laboratory frame for a number of small molecular systems, which have previously been studied with 1D methods. Compared to the conventional single-energy or single-angle analysis, our 2D methods effectively expand the momentum range of the measured data. Besides utilization of the 2D data, two complementary methods are developed for consistency check on the retrieved results. Further, the 2D nature of our methods also offers a way of estimating the error from retrieval, which has never been explored before. Comparing with results from prior experiments, our findings show evidence that our 2D methods outperform the conventional 1D methods. Paving the way to the retrieval of large molecular systems, in which their tunneling ionization rates are challenging to obtain, we estimate the error of using the isotropic model in place of including the orientation-dependent ionization rate.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Digital autofocusing of a coded-aperture Laue diffraction microscope

To provide optimal depth resolution with a coded-aperture Laue diffraction microscope, an accurate position of the coded-aperture and its scanning geometry need to be known. However, finding the geometry by trial and error is a time-consuming and often challenging process because of the large number of parameters involved. In this paper, we propose an optimization approach to automate the focusing process after data is collected. Here we demonstrate the robustness and efficiency of the proposed approach with experimental data taken at a synchrotron facility.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

The birth and evolution of solvated electrons in the water

The photo-induced radiolysis of water is an elementary reaction in biology and chemistry, forming solvated electrons, OH radicals, and hydronium cations on fast time scales. Here, we use an optical-pump terahertz-probe spectroscopy setup to trigger the photoionization of water molecules with optical laser pulses at ~400 nm and then time-resolve the transient solvent response with broadband terahertz (THz) fields with a ~90 fs time resolution. We observe three distinct spectral responses. The first is a positive broadband mode that can be attributed to an initial diffuse, delocalized electron with a radius of (22 ± 1) Å, which is short lived (<200 fs) because the absorption is blue-shifting outside of the THz range. The second emerging spectroscopic signature with a lifetime of about 150 ps is attributed to an intermolecular mode associated with a mass rearrangement of solvent molecules due to charge separation of radicals and hydronium cations. After 0.2 ps, we observe a long-lasting THz signature with depleted intensity at 110 cm -1 that is well reproduced by ab initio molecular dynamics. We interpret this negative band at 110 cm -1 as the solvent cage characterized by a weakening of the hydrogen bond network in the first and second hydration shells of the cavity occupied by the localized electron.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

hpMCA: A Python-based Graphical Program for Energy Dispersive X-Ray Diffraction Data Collection and Analysis

Energy-dispersive X-ray diffraction (EDXD) at synchrotron beamlines is commonly used for the study of material properties under high pressure and/or high temperature. Experimenters typically rely on the availability of robust data collection and analysis at a beamline, but this has become increasingly difficult, especially with the introduction of multi-element detectors that generate complex, multi-dimensional data sets. These data sets have energy resolution, and they can also be resolved in relation to sample position, diffraction angle, or different external stimuli. We report a new Python-based graphical program, hpMCA, for EDXD data collection and analysis that streamlines the experimental process for the beamline users. The program features a user-friendly interface, capability for online viewing and analyzing data from multi-element energy-dispersive detectors, and includes features useful for working with samples under high pressure and/or high temperature, such as crystal phase identification, real-time unit cell lattice refinement, and pressure determination based on an equation of state.

data analysis software↗
DOE OSTI2020

Fine structure of the isovector giant dipole resonance in Nd 142 – 150 and Sm 152

Inelastic proton scattering at energies of a few hundred MeV and very-forward scattering angles including 0° has been established as a tool for the study of electric-dipole strength distributions in nuclei. The present work reports a systematic investigation of the chain of stable even-mass Nd isotopes representing a transition from spherical to quadrupole-deformed nuclei. Extraction of the equivalent photo-absorption cross sections and analysis of their fine structure in the energy region of the isovector giant dipole resonance (IVGDR). Method: Proton inelastic scattering reactions of 200 MeV protons were measured at the iThemba Laboratory for Accelerator Based Sciences in Cape Town, South Africa. The scattering products were momentum-analyzed by the K600 magnetic spectrometer positioned at θ Lab = 0°. Using dispersion-matching techniques, energy resolutions of ΔE ≈ 40–50 keV (full width at half maximum) were obtained. After subtraction of background and contributions from other multipoles, the spectra were converted to photoabsorption cross sections using the equivalent virtual-photon method. Wavelet-analysis techniques are used to extract characteristic energy scales of the fine structure of the IVGDR from the experimental data. Fine structure of the IVGDR is observed even for the most deformed nuclei studied. Comparisons between the extracted experimental energy scales and those energy scales obtained from the quasiparticle-phonon model (QPM) and Skyrme separable random phase approximation (SSRPA) predictions provide insight into the role of different giant-resonance damping mechanisms. It can be seen that the scales in the spherical and most likely also in the deformed nuclei mainly result from the fragmentation of the one-particle-one-hole (1p1h) strength into several dominant transitions serving as doorway states. In cases where calculations beyond the 1p1h level are available, some impact of the spreading due to coupling of the two-particle-two-hole (2p2h) states to the 1p1h doorway states is observed. New virtual-photon absorption data for the chain of stable Nd isotopes and 152 Sm are presented, with a focus on the phenomenon of nonstatistical cross-section fluctuations, referred to as fine structure, in the energy region of the IVGDR. The wavelet-analysis techniques used allowed for the features of the fine structure to be quantified in the form of characteristic scales. Finally, comparisons between experimental results and model predictions indicate that Landau damping seems to be the main source of the fine structure in both the spherical and deformed nuclei, but calculations including 2p2h degrees of freedom would be beneficial to confirm this for the deformed cases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Random forest models accurately classify synthetic opioids using high-dimensionality mass spectrometry datasets

Detection of novel threat agents presents several challenges, a principle one being the development of untargeted methods to screen an increasing number of threat chemicals whose exact structures are unknown. With the use of Machine Learning (ML) tools, we can guide the development of analytical methods for broad-spectrum detection of unbounded threat chemical families in complex mixtures. Toward this goal, we used nominal mass and high-resolution mass spectrometry data for hundreds of synthetic opioids and non-opioid compounds. We tested two ML techniques, logistic regression and random forest, to develop models towards a practical, implementable method for opioid detection. We found that of these tested ML methods, random forest models resulted in the highest validation accuracy (95+%) for both nominal mass and high-resolution classification of opioids versus non-opioids, with low false positive and false negative rates. The RF models were then used to successfully predict the classification of 10 compounds—five opioids and five non-opioids not part of the training and validation analysis. This application of ML is a critical step towards the development of field-deployable nominal mass spectrometers with ML-driven analyses for classification of emergent threats.

Arasteh, Kourosh [Lawrence Livermore National Labo↗
DOE OSTI2025

Specifications of Legacy U(Pu)Zr Metallography Data

The DOE Nuclear Energy Advanced Reactor Technologies (ART) Program has supported the creation of several databases with information describing the safety performance of fast reactors, components, and fuels. This growing collection of legacy experimental data, operating data, and analysis is available online to registered users. Metallography data is one of the most important types of PIE data being collected, organized and stored in several ART Fast Reactor Databases (https://frdb.ne.anl.gov), including the Fuels Irradiation & Physics Database (FIPD), Out-of-Pile Transient Database (OPTD), and TREAT (the Transient Reactor Test Facility) Experimental Relational Database (TREXR). These databases contain three main sets of metallography data. The first set is the metallography data from Experimental Breeder Reactor-II (EBR-II) and Fast Flux Test Facility (FFTF) irradiated fuel pins measured in the Hot Fuel Examination Facility (HFEF); the second set is the metallography data from EBR-II irradiated fuel pins measured in the Alpha-Gamma Hot Cell Facility (AGHCF); the third set is the metallography data from transient tested fuel pins (the transients tests include the out-of-pile tests and TREAT tests) measured in AGHCF. Since both the second and third sets of data were measured in AGHCF, they are governed by the same specification. The metallography data in the databases are digital images scanned from either positive or negative photos. The quality of the images, including their resolution and contrast, relies on the preserved quality of the pictures and the scanning conditions. To analyze the microstructure of a fuel pin, a series of preparatory steps must be undertaken. These include sectioning, epoxy mounting, mechanical grinding and polishing, and often etching. The resulting samples were then transferred to a secondary hot cell, or glovebox (depending the strength of radiation field) for microscopy examination. The specifications provided herein focus on the metallography examinations. The sample grinding, polishing and etching processes are also discussed. The procedures involving sectioning and epoxy mounting are out of the scope of the current specification; details can be found in the corresponding operation manuals. If more data are collected and added to the ART Fast Reactor Databases, this specification will be updated to accommodate the additional data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1975

Study of the true performance limits of the Astrometric Multiplexing Area Scanner (AMAS)

The Astrometric Multiplexing Area Scanner (AMAS) is an instrument designed to perform photoelectric long focus astrometry of small fields. Modulation of a telescope focal plane with a rotating Ronchi ruling produces a frequency modulated signal from which relative positions and magnitudes can be extracted. Evaluation instrumental precision, accuracy and resolution characteristics with respect to a variety of instrumental and cosmical parameters indicates 1.5 micron precision and accuracy for single stars under specific conditions. This value decreases for increased number of field stars, particularly for fainter stars.

Frederick, L. W.↗
NASA NTRS1979

CO emission lines in the solar atmosphere

New identifications of CO emission lines in the EUV spectrum of a sunspot are reported. The spectra were obtained with the Naval Research Laboratory's High Resolution Telescope and Spectrograph. The emission is from the CO fourth positive system and is excited by the strong lines of C IV, Si IV and O IV. Transitions in the 0-3 band which lie above 1700 A and other lines at shorter wavelengths have been identified from the spectrum of the June 15, 1973 flare, obtained with the Naval Research Laboratory's normal incidence spectrograph on Skylab. The observed intensities in the sunspot are used to derive the CO column density.

Jordan, C.↗
NASA NTRS1979

Imaging proportional counter for X-ray astronomy

A position-sensitive proportional counter capable of imaging X-rays (0.1-3 keV) over a 10 cm x 10 cm aperture has been constructed. Positioning is obtained by sensing the signals induced by an X-ray event on the two orthogonal sets of cathode wires. Each cathode is divided into a series of cathode strips, each 0.5 cm wide. An X-ray event induces signals on several adjacent strips. Signals from each cathode strip are amplified separately and then added in an equally weighted and an unequally weighted summing amplifier. The position in each direction is obtained by dividing the output of the unequally weighted summer by that of the equally weighted summer. At 0.94 keV, the accuracy of the position sensing is 190 microns. At the same energy, the energy resolution is approximately 65% (FWHM). The proportional counter system is currently being incorporated into a sounding rocket payload having metal mirror optics, which is being constructed by the X-ray astronomy group at the California Institute of Technology.

Long, K. S.↗
NASA NTRS1976

Geomagnetic field mapping from a satellite: Spatial power spectra of the geomagnetic field at various satellite altitudes relative to natural noise sources and instrument noise

The spectra for the field are presented together with power spectra of the natural magnetospheric and ionosheric noise and a power spectrum of instrumental noise for a typical fluxgate magnetometer. The source of these data is described. The implications of these data relative to desirable instrument frequency resonse, stability and resolution specification as well as the implications relative to desirable spacecraft position and orientation accuracy specifications and desirable environmental (temperature, magnetic noise) specifications are discussed. Implications of these power spectra relative to choice of a suitable magnetometer and relative to desirable methods of data processing are considered. Finally, implications for desirable orbit and mission duration are discussed.

Mcleod, M. G.↗
NASA NTRS1980

The impact of WARC '79 on space applications and research

Prior to the 1979 World Administrative Radio Conference (WARC), no frequency bands were allocated for remote sensing measurements. Actions taken by the WARC insure that frequencies will be available for such use, and that operations can be conducted without harmful interference on a worldwide basis for the benefit of all nations. New global allocations for Space Research will permit worldwide acquisition of research data via relay satellites. Wideband allocations for deep-space research will allow more accurate position determination of deep-space probes and transmission of higher resolution data. The WARC had an impact on a number of other applications and research areas such as: meteorological satellites, land-mobile satellites, search and rescue systems, solar power satellites, standard-frequency satellites, radio astronomy and the search for extraterrestrial intelligence. The actions taken at the WARC affecting these services and applications will be described in the paper.

Kiebler, J. W.↗
NASA NTRS1984

Star formation in the nucleus of NGC 253

The B-alpha and B-gamma lines of atomic hydrogen have been observed at eight positions near the nucleus of NGC 253 with 6 arcsec spatial resolution. Most if not all of the bolometric luminosity of the central 200 pc of this galaxy is probably produced by O and B stars which have recently formed. The spatial distribution of the line fluxes is similar to that of the 10 microns flux, supporting the hypothesis that the 10 microns radiation is powered by the newly formed stars. The extinction to the ionized gas varies over small distances in this region, explaining the discrepancies between extinction and Lyman continuum luminosity derived separately from visual and infrared line observations.

Beck, S. C.↗
NASA NTRS1985

Cosmic ray charge and energy spectrum measurements using a new large area Cerenkov x dE/dx telescope

In September, 1981, a new 0.5 square meter ster cosmic ray telescope was flown to study the charge composition and energy spectrum of cosmic ray nuclei between 0.3 and 4 GeV/nuc. A high resolution Cerenkov counter, and three dE/dx measuring scintillation counters, including two position scintillators were contained in the telescope used for the charge and energy spectrum measurements. The analysis procedures did not require any large charge or energy dependent corrections, and absolute fluxes could be obtained to an accuracy approximately 5%. The spectral measurements made in 1981, at a time of extreme solar modulation, could be compared with measurements with a similar telescope made by our group in 1977, at a time of minimum modulation and can be used to derive absolute intensity values for the HEAO measurements made in 1979 to 80. Using both data sets precise energy spectra and abundance ratios can be derived over the entire energy range from 0.3 to greater than 15 GeV/nuc.

Webber, W. R.↗
NASA NTRS1986

Steady supersonic Navier-Stokes solutions of a 75 deg delta wing

Steady solutions about a slender sharp edged delta wing in a supersonic freestream for moderate and high angles of attack are obtained numerically by time integration of the unsteady compressible three dimensional laminar Navier-Stokes equations. The main features of the flow, including primary and secondary separation, and vortex position and strength, are adequately simulated in the numerical solutions. Improved resolution of the computational grid in the leading edge region from a previous solution had considerable effect on the accuracy of the solutions. Good agreement between numerical solutions and experimental data was obtained for two cases. A local timestepping procedure is used to speed convergence by approximately a factor of two.

Buter, T. A.↗
NASA NTRS1987

Concept of an Opto-electronic Accelerometer System (OAS)

An accelerometer based on a spring-suspended reference mass and its precise relative motion measurement by means of 3 two-dimensional position sensitive detectors (PSD) is described. A breadboard model achieves a resolution (longterm linearity) of 25 nm in one direction. Due to the physical principle of the PSD, the second layer is slightly less sensitive than the top layer; accordingly for gravity gradient detection the more sensitive layer is selected for the Z/X component detection. At 10 Hz sampling rate an acceleration gradient of under 10 to the minus 12th power g (i.e., 0.01 E or 0.001 Gal/km) is considered to be detectable.

Kunkel, B.↗