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At least 325 records · Page 18

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DOE OSTI2023

Insulating band gaps both below and above the Néel temperature in d -electron LaTi O 3 , LaV O 3 , SrMn O 3 , and LaMn O 3 perovskites as a symmetry-breaking event

Metal d-electron oxides having an odd number of electrons per cell should exhibit band degeneracy at the Fermi energy, making them, in band theory, formally metallic. In many cases, however, these are “false metals”, as evidenced by the observation that many ABO 3 oxide perovskites with a magnetic 3d B-atom are observed to be insulators both below and above the Néel temperature. These inconsistencies between experimental observation and expectation have historically been resolved by invoking degeneracy-breaking physics, based largely on -pure electron effects, such as strong interelectronic correlation for d-electron compounds (the Mott mechanism). Such explanations generally consider microscopic lattice or magnetic degrees of freedom (m-DOF) as largely passive spectators, not a cause of the formally metallic being an insulator. Yet, it has long been known that ABO 3 perovskites can manifest an arrangement of m-DOFs in the form of octahedral tilting, bond dimerization, Jahn-Teller distortions, and ordering of local magnetic moments. It appears reasonable that such structural and magnetic local degrees of freedom need to be allowed to compete with purely electronic strong correlation. To answer this question, we explored a range of d-electron oxide perovskites exemplified by the archetypes LaTiO 3 , LaVO 3 , SrMnO 3 , and LaMnO 3 with 1, 2, 3, or 4 d -electrons, respectively. Using a mean-field-like electronic structure method (here, density functional theory), we find that a combination of magnetic symmetry breaking with structural distortions can account for insulating band gaps in this series while at the same time correctly predicting for the control case an intrinsic paramagnetic metal in SrVO 3 as symmetry-breaking is insufficiently strong to remove the degeneracy. Finally, this indicates that calculating quantitatively local magnetic and positional symmetry-breaking motifs in unit cells that avoid averaging at the outset over the low symmetry motifs can provide consistent trends in a Mott transition without Mott U.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Measurement of space charge effects and energy calibration in ProtoDUNE-SP

The single-phase liquid argon prototype at CERN (ProtoDUNE-SP) acts as a validation of the design for the DUNE single-phase far detector. With a total mass of 770 tons, it is the largest monolithic liquid argon single-phase time projection chamber in the world. ProtoDUNE-SP collected test-beam in autumn of 2018 and has been collecting cosmic and special calibration data since the end of 2018.The accumulation of positive ions in a LArTPC located on the surface can distort the electric field and the reconstructed particle trajectories. It is critical to understand and correct for the space charge effects in order to achieve the desired spatial and calorimetric resolutions in the LArTPC. This talk will present the measurement of space charge effects and the calorimetric measurements of the detector in ProtoDUNE-SP.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1973

Structural expansions for the ground state energy of a simple metal

A structural expansion for the static ground state energy of a simple metal is derived. An approach based on single particle band structure which treats the electron gas as a non-linear dielectric is presented, along with a more general many particle analysis using finite temperature perturbation theory. The two methods are compared, and it is shown in detail how band-structure effects, Fermi surface distortions, and chemical potential shifts affect the total energy. These are of special interest in corrections to the total energy beyond third order in the electron ion interaction, and hence to systems where differences in energies for various crystal structures are exceptionally small. Preliminary calculations using these methods for the zero temperature thermodynamic functions of atomic hydrogen are reported.

Hammerberg, J.↗

NASA NTRS1982

Turbofan forced mixer-nozzle internal flowfield. Volume 3: A computer code for 3-D mixing in axisymmetric nozzles

A finite difference method is developed for making detailed predictions of three dimensional subsonic turbulent flow in turbofan lobe mixers. The governing equations are solved by a forward-marching solution procedure which corrects an inviscid potential flow solution for viscous and thermal effects, secondary flows, total pressure distortion and losses, internal flow blockage and pressure drop. Test calculations for a turbulent coaxial jet flow verify that the turbulence model performs satisfactorily for this relatively simple flow. Lobe mixer flows are presented for two geometries typical of current mixer design. These calculations included both hot and cold flow conditions, and both matched and mismatched Mach number and total pressure in the fan and turbine streams.

Kreskovsky, J. P.↗

NASA NTRS1990

The output beam quality of a Q-switched Nd:glass slab laser

The authors have constructed and tested a flashlamp pumped, Q-switched, Nd:glass zigzag slab laser. The thermally induced optical distortion through the slab is minimized by uniform pumping and cooling and the use of corrective pump shields at the slab ends. The laser spatial output for Q-switched resonators has been measured and modeled. It is shown that a larger aperture planar oscillator has an output divergence many times above the diffraction limit. Operation as a one-dimensional unstable resonator in the wide direction of the slab allows the efficient extraction of energy in a high-quality beam. Near-diffraction-limited laser output of 5 J at 4 Hz is achieved with a resonator that includes an intracavity telescope to correct for residual defocusing in the thin direction of the slab.

Reed, Murray K.↗

NASA NTRSDate not supplied

A Simplified FANG Cell-Centered Finite-Volume Method and Comparison with Other Methods for Trouble-Prone Grids

We propose a simplication of the face-averaged nodal-gradient (FANG) method for a cell-centered finite-volume Euler/Navier-Stokes solver on arbitrary grids, and compare it with other gradient methods for trouble-prone grids in two dimensions. The implementation of the FANG method is simplified by adding the face-neighbor cells of the cells around a node to a least-squares gradient stencil. The resulting method is stable for both triangular and quadrilateral grids. Although it increases the residual stencil for triangular grids, it allows the solver to work seamlessly for mixed grids and greatly simplifies the implementation, especially in three dimensions. For comparison, only explicit weighted/unweighted least-squares cell-centered and nodal gradient methods are considered. These gradients are used in both inviscid and viscous schemes, and we investigate their impact on the iterative convergence of an implicit defect-correction solver on difficult grids such as highly-curved-and-thin grids and highly distorted anisotropic grids. Finally, we will also consider a face-stencil-based limiter and compare it with a conventional cell-stencil-based limiter.

Hiroaki Nishikawa↗

DOE OSTI2021

Electron emission from fluorene (C 13 H 10 ) upon 3.5 MeV/u Si 8+ ion impact: double differential distributions

In this work, we have studied the electron emission from one of the polycyclic aromatic hydrocarbon (PAH) molecules namely, fluorene (C13H10), upon 3.5 MeV/u Si8+ ion impact. The experimentally measured absolute double differential cross sections (DDCS) are compared with the continuum distorted wave-eikonal initial state (CDW-EIS) model and the first Born approximation including correct boundary conditions (CB1). The measurements are carried out in the ejected e⁻-energy range of 1 eV–400 eV and in the angular range of 20°–160°. We have obtained the single differential and the total cross sections (TCSs) of e⁻-emission as well. The CB1 calculation largely underestimates the data. The CDW-EIS model, which is applied for the PAH molecule for the first time, provides an overall better agreement with the double differential, single differential and TCS data. The DDCS data for fluorene has also been compared with that for CH4 molecule, at a few angles. The forward–backward angular asymmetry shows a relatively flatter distribution compared to the theoretical predictions. The contribution due to the giant plasmon resonance could not be clearly observed except a mild indication in the asymmetry parameter. The angular distribution of the carbon KLL Auger electron cross section shows certain variations. The study of the KLL hyper-satellite component indicates the double K-ionization cross section is about 8.6% of the single K-ionization one.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Monte Carlo Hauser-Feshbach computer code system to model nuclear reactions: YAHFC

A computer program framework, YAHFC, to model low-energy nuclear reactions is presented. The framework allows for reactions with incident particles ranging from protons/neutrons to alphas and is designed to address reactions that ultimately lead to the formation of compound nuclear systems that then decay statistically as outlined in concepts of Hauser and Feshbach. Additionally, instead of a reaction, it is also possible to model the decay of a nuclear system with an initial excitation and population. The code models nuclear decays with a Monte Carlo process that tracks the decay of each state. This allows for an exact representation of the spectra for all emitted particles in each of the final exit channels and the possibility of generating reaction data for simulation purposes. The program is interfaced with the optical model code system FRESCOX to calculate transmission coefficients as well as the effects of coupled channels and other direct excitations via the distorted wave Born approximation (DWBA). Modules are included to account for nuclear processes such as width corrections, pre-equilibrium emission, and fission. The program is controlled by a series of input commands and while a set of input parameters exists for each projectile and target, the input commands allow for complete control over each input parameter. Extensive data files are produced and a program is provided that converts YAHFC data files into nuclear data library entries in the generalized nuclear data structure (GNDS).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1973

Evaluation of satellite remote sensing and automatic data techniques for characterization of wetlands and marshlands

The author has identified the following significant results. Using the 12S Digicol color additive viewer and eight color classification map has been produced of a portion of the study area. Channel 3 of the MSS produced the best map. Enlargements of the MSS data have been accomplished by using the Data Analysis Station. The attached film recorder has three color guns which are capable of placing 2400 square elements across a 9 inch film. It has been found that by repeating ERTS element 9 times and each scan line 13 times that a map of a scale approximately 1:62,000 can be produced as a color negative film strip. This can be contact printed to produce a color map of the scale. As yet this procedure does not correct for image skew caused by rotation which is believed to be the major source of distortion and blockiness in the image. However, the final product which has not undergone any photographic enlargement is superior to photographically enlarged maps of the same scale.

Cartmill, R. H.↗

NASA NTRS1974

Ground-state energies of simple metals

A structural expansion for the static ground-state energy of a simple metal is derived. Two methods are presented, one an approach based on single-particle band structure which treats the electron gas as a nonlinear dielectric, the other a more general many-particle analysis using finite-temperature perturbation theory. The two methods are compared, and it is shown in detail how band-structure effects, Fermi-surface distortions, and chemical-potential shifts affect the total energy. These are of special interest in corrections to the total energy beyond third order in the electron-ion interaction and hence to systems where differences in energies for various crystal structures are exceptionally small. Preliminary calculations using these methods for the zero-temperature thermodynamic functions of atomic hydrogen are reported.

Hammerberg, J.↗

NASA NTRS1980

Onboard image correction

A processor architecture for performing onboard geometric and radiometric correction of LANDSAT imagery is described. The design uses a general purpose processor to calculate the distortion values at selected points in the image and a special purpose processor to resample (calculate distortion at each image point and interpolate the intensity) the sensor output data. A distinct special purpose processor is used for each spectral band. Because of the sensor's high output data rate, 80 M bit per second, the special purpose processors use a pipeline architecture. Sizing has been done on both the general and special purpose hardware.

Martin, D. R.↗

NASA NTRS1984

Specification and preliminary design of the CARTA system for satellite cartography

Digital imagery acquired by satellite have inherent geometrical distortion due to sensor characteristics and to platform variations. In INPE a software system for geometric correction of LANDSAT MSS imagery is under development. Such connected imagery will be useful for map generation. Important examples are the generation of LANDSAT image-charts for the Amazon region and the possibility of integrating digital satellite imagery into a Geographic Information System.

Machadoesilva, A. J. F.↗

NASA NTRS1988

Head-mounted spatial instruments: Synthetic reality or impossible dream

A spatial instrument is defined as a display device which has been either geometrically or symbolically enhanced to better enable a user to accomplish a particular task. Research conducted over the past several years on 3-D spatial instruments has shown that perspective displays, even when viewed from the correct viewpoint, are subject to systematic viewer biases. These biases interfere with correct spatial judgements of the presented pictorial information. It is also found that deliberate, appropriate geometric distortion of the perspective projection of an image can improve user performance. These two findings raise intriguing questions concerning the design of head-mounted spatial instruments. The design of such instruments may not only require the introduction of compensatory distortions to remove the neutrally occurring biases but also may significantly benefit from the introduction of artificial distortions which enhance performance. These image manipulations, however, can cause a loss of visual-vestibular coordination and induce motion sickness. Additionally, adaptation to these manipulations is apt to be impaired by computational delays in the image display. Consequently, the design of head-mounted spatial instruments will require an understanding of the tolerable limits of visual-vestibular discord.

Ellis, Stephen R.↗

NASA NTRS1992

Towards a structure-based turbulence model

The author is developing a new type of turbulence model in which a new one-point quantity, the eddy structure tensor, carries information about the two-point structure of the turbulence. The model was motivated by the observation that conventional one-point turbulence models based only on the turbulent stresses do not predict the rapid changes in state that are found when anisotropic homogeneous turbulence is subjected to mean rotation, and hence are fundamentally incorrect for rotation. The model appears to give topologically correct predictions for the changes in stress state and structure state under all types of rapid distortions of homogeneous turbulence.

Reynolds, W. C.↗

NASA NTRS2008

Long-Wave Infrared Dyson Spectrometer

Preliminary results are presented for an ultra compact long-wave infrared slit spectrometer based on the dyson concentric design. The dyson spectrometer has been integrated in a dewar environment with a quantum well infrared photodetecor (QWIP), concave electron beam fabricated diffraction grating and ultra precision slit. The entire system is cooled to cryogenic temperatures to maximize signal to noise ratio performance, hence eliminating thermal signal from transmissive elements and internal stray light. All of this is done while maintaining QWIP thermal control. A general description is given of the spectrometer, alignment technique and predicated performance. The spectrometer has been designed for optimal performance with respect to smile and keystone distortion. A spectral calibration is performed with NIST traceable targets. A 2-point non-uniformity correction is performed with a precision blackbody source to provide radiometric accuracy. Preliminary laboratory results show excellent agreement with modeled noise equivalent delta temperature and detector linearity over a broad temperature range.

imaging↗

NASA NTRS1974

Two-stage fan. 2: Data and performance with redesigned second stage rotor uniform and distorted inlet flows

A two-stage fan with a first rotor tip speed of 1450 ft/sec (441.96 m/sec) and no inlet guide vanes was tested with uniform and distorted inlet flows, with a redesigned second rotor having a part span shroud to prevent flutter, with variable-stagger stators set in nominal positions, and without rotor casing treatment. The fan achieved a pressure ratio 2.8 at a corrected flow of 185.4 lbm/sec (84.0 kg/sec), an adiabatic efficiency of 85.0 percent, and a stall margin of 12 percent. The redesigned second rotor did not flutter. Tip radial distortion reduced the stall margin at intermediate speed, but had little effect on stall margin at high or low speeds. Hub radial distortion reduced the stall margin at design speed but increased stall margin at low speed. Circumferential distortion reduced stall pressure ratio and flow to give approximately the same stall lines with uniform inlet flow. Distortions were attenuated by the fan. For Vol. 1, see N74-11421.

Messenger, H. E.↗

NASA NTRS1990

Sea level static calibration of a compact multimission aircraft propulsion simulator with inlet flow distortion

Wind tunnel tests of propulsion-integrated aircraft models have identified inlet flow distortion as a major source of compressor airflow measurement error in turbine-powered propulsion simulators. Consequently, two Compact Multimission Aircraft Propulsion Simulator (CMAPS) units were statically tested at sea level ambient conditions to establish simulator operating performance characteristics and to calibrate the compressor airflow against an accurate bellmouth flowmeter in the presence of inlet flow distortions. The distortions were generated using various-shaped wire mesh screens placed upstream of the compressor. CMAPS operating maps and performance envelopes were obtained for inlet total pressure distortions (ratio of the difference between the maximum and minimum total pressures to the average total pressure) up to 35 percent, and were compared to baseline simulator operating characteristics for a uniform inlet. Deviations from CMAPS baseline performance were attributed to the coupled variation of both compressor inlet-flow distortion and Reynolds number index throughout the simulator operating envelope for each screen configuration. Four independent methods were used to determine CMAPS compressor airflow; direct compressor inlet and discharge measurements, an entering/exiting flow-balance relationships, and a correlation between the mixer pressure and the corrected compressor airflow. Of the four methods, the last yielded the least scatter in the compressor flow coefficient, approximately + or - 3 percent over the range of flow distortions.

Won, Mark J.↗

NASA NTRS1973

Molecular collisions. 11: Semiclassical approximation to atom-symmetric top rotational excitation

In a paper of this series a distorted wave approximation to the T matrix for atom-symmetric top scattering was developed which is correct to first order in the part of the interaction potential responsible for transitions in the component of rotational angular momentum along the symmetry axis of the top. A semiclassical expression for this T matrix is derived by assuming large values of orbital and rotational angular momentum quantum numbers.

Russell, D.↗