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At least 595 records · Page 33

All sources NASA NTRS DOE OSTI

DOE OSTI2020

A Pressure-Induced Inverse Order–Disorder Transition in Double Perovskites

Chemical intuition tells us that pressure increases ordering in most known materials. The discovery of pressure-induced disorder in the double perovskites Y 2 CoIrO 6 and Y 2 CoRuO 6 , which is reported by Z. Deng, C.-J. Kang, C. Jin, M. Greenblatt, and co-workers in their Research Article on page 8240, is in contrast to traditional theories of order–disorder mechanisms and calls for reconsideration of pressure effects in solid state sciences.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Antiferromagnetic Inverse Spinel Oxide LiCoVO 4 with Spin-Polarized Channels for Water Oxidation

Exploring highly efficient catalysts for the oxygen evolution reaction (OER) is essential for water electrolysis. Cost-effective transition-metal oxides with reasonable activity are raising attention. Recently, OER reactants' and products' differing spin configurations have been thought to cause slow reaction kinetics. Catalysts with magnetically polarized channels could selectively remove electrons with opposite magnetic moment and conserve overall spin during OER, enhancing triplet state oxygen molecule evolution. Herein, antiferromagnetic inverse spinel oxide LiCoVO 4 is found to contain d 7 Co 2+ ions that can be stabilized under active octahedral sites, possessing high spin states S = 3/2 (t 2g 5 e g 2 ). With high spin configuration, each Co 2+ ion has an ideal magnetic moment of 3 µ B , allowing the edge-shared Co 2+ octahedra in spinel to be magnetically polarized. Density functional theory simulation results show that the layered antiferromagnetic LiCoVO 4 studied contains magnetically polarized channels. The average magnetic moment (µ ave ) per transition-metal atom in the spin conduction channel is around 2.66 µ B . Such channels are able to enhance the selective removal of spin-oriented electrons from the reactants during the OER, which facilitates the accumulation of appropriate magnetic moments for triplet oxygen molecule evolution. Finally, the LiCoVO 4 reported has been identified as an oxide catalyst with excellent OER activity.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Isotropically conducting (hidden) quantum Hall stripe phases in a two-dimensional electron gas

Quantum Hall stripe (QHS) phases, predicted by the Hartree-Fock theory, are manifested in GaAs-based two-dimensional electron gases as giant resistance anisotropies. In this communication, we predict a “hidden” QHS phase which exhibits isotropic resistivity whose value, determined by the density of states of QHS, is independent of the Landau index $N$ and is inversely proportional to the Drude conductivity at zero magnetic field. At high enough $N$, this phase yields to an Ando-Unemura-Coleridge-Zawadski-Sachrajda phase in which the resistivity is proportional to 1/$N$ and to the ratio of quantum and transport lifetimes. Experimental observation of this border should allow one to find the quantum relaxation time.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1985

Geometric effects of global lateral heterogeneity on long-period surface wave propagation

The present investigation has the objective to document examples of anomalous long-period surface wave amplitude behavior and to provide a preliminary appraisal of the effects of global lateral heterogeneity on surface wave propagation from a ray theory perspective. Attention is given to remarkable long-period surface wave anomalies described in literature, an equidistance azimuthal plot centered on the Iranian source region, Rayleigh wave and Love wave spectra for the 256-s period arrivals for the Tabas earthquake, constrained moment tensor and fault model inversion solutions ofr Iranian earthquakes, aspects of surface wave ray tracing, and a table of Rayleigh wave amplitude anomalies for Iranian earthquakes. Surface wave ray-tracing calculations for models of global phase velocity variations proposed by Nakanishi and Anderson (1984) are found to show that large-amplitude anomalies will be observed for Love and Rayleigh waves with periods of 100-250 s.

Lay, T.↗

NASA NTRS1987

Compression of oceanic lithosphere - An analysis of intraplate deformation in the Central Indian Basin

The development of intraplate structure in the Central Indian Basin is examined using models in which deformation is due to flexural buckling and the hydrodynamic growth of instabilities. Comparison of the models reveal that in a strong viscous lithosphere, deformation of the layer occurs by flexural folding at a wavelength which corresponds to the flexural buckling theory; in a lithosphere of intermediate strength, the layer deforms by folding characterized by thickening which localizes beneath topographic heights; and in a relatively weak lithosphere, the layer incurs an even greater amount of localized thickening and deforms in the symmetric or pinch-and-swell mode by inverse boudinage. It is noted that the models in which the layer folds either flexurally or with periodic thickening correspond with observed depth distribution of seismicity in the Central Indian Basin and with experimental rock rheological data.

Zuber, Maria T.↗

NASA NTRS1945

Bending and shear stresses developed by the instantaneous arrest of the root of a cantilever beam rotating with constant angular velocity about a transverse axis through the root

A theoretical investigation was made of the behavior of a cantilever beam in rotational motion about a transverse axis through the root determining the stresses, the deflections, and the accelerations that occur in the beam as a result of the arrest of motion. The equations for bending and shear stress reveal that, at a given percentage of the distance from root to tip and at a given trip velocity, the bending stresses for a particular mode are independent of the length of the beam and the shear stresses vary inversely with the length. When examined with respect to a given angular velocity instead of a given tip velocity, the equations reveal that the bending stress is proportional to the length of the beam whereas the shear stress is independent of the length. Sufficient experimental verification of the theory has previously been given in connection with another problem of the same type.

BEAMS - VIBRATION↗

NASA NTRS1994

Coupled 2-dimensional cascade theory for noise and unsteady aerodynamics of blade row interaction in turbofans. Volume 1: Theory development and parametric studies

Typical analytical models for interaction between rotor and stator in a turbofan analyze the effect of wakes from the rotor impinging on the stator, producing unsteady loading, and thereby generating noise. Reflection/transmission characteristics of the rotor are sometimes added in a separate calculation. In those models, there is a one-to-one relationship between wake harmonics and noise harmonics; that is, the BPF (blade passing frequency) wake harmonic causes only the BPF noise harmonic, etc. This report presents a more complete model in which flow tangency boundary conditions are satisfied on two cascades in relative motion for several harmonics simultaneously. By an extension of S.N. Smith's code for two dimensional flat plate cascades, the noise generation/frequency scattering/blade row reflection problem is solved in a single matrix inversion. It is found that the BPF harmonic excitation of the stator scatters considerable energy in the higher BPF harmonics due to relative motion between the blade rows. Furthermore, when swirl between the rotor and stator is modeled, a 'mode trapping' effect occurs which explains observations on fans operating at rotational speeds below BFP cuton: the BPF mode amplifies between blade rows by multiple reflections but cannot escape to the inlet and exit ducts. However, energy scattered into higher harmonics does propagate and dominates the spectrum at two and three times BPF. This report presents the complete derivation of the theory, comparison with a previous (more limited) coupled rotor/stator interaction theory due to Kaji and Okazaki, exploration of the mode trapping phenomenon, and parametric studies showing the effects of vane/blade ratio and rotor/stator interaction. For generality, the analysis applies to stages where the rotor is either upstream or downstream of the stator and to counter rotation stages. The theory has been coded in a FORTRAN program called CUP2D, documented in Volume 2 of this report. It is concluded that the new features of this analysis - unsteady coupling, frequency scattering, and flow turning between rotor and stator - have a profound effect on noise generation caused by rotor/stator interaction. Treating rotors and stators as isolated cascades is not adequate for noise analysis and prediction.

Hanson, Donald B.↗

NASA NTRS1989

Inverse dynamics of a 3 degree of freedom spatial flexible manipulator

A technique is presented for solving the inverse dynamics and kinematics of 3 degree of freedom spatial flexible manipulator. The proposed method finds the joint torques necessary to produce a specified end effector motion. Since the inverse dynamic problem in elastic manipulators is closely coupled to the inverse kinematic problem, the solution of the first also renders the displacements and rotations at any point of the manipulator, including the joints. Furthermore the formulation is complete in the sense that it includes all the nonlinear terms due to the large rotation of the links. The Timoshenko beam theory is used to model the elastic characteristics, and the resulting equations of motion are discretized using the finite element method. An iterative solution scheme is proposed that relies on local linearization of the problem. The solution of each linearization is carried out in the frequency domain. The performance and capabilities of this technique are tested through simulation analysis. Results show the potential use of this method for the smooth motion control of space telerobots.

Bayo, Eduardo↗

NASA NTRS1989

Absorption line profiles in a moving atmosphere - A single scattering linear perturbation theory

An integral equation is derived which linearly relates Doppler perturbations in the spectrum of atmospheric absorption features to the wind system which creates them. The perturbation theory is developed using a single scattering model, which is validated against a multiple scattering calculation. The nature and basic properties of the kernels in the integral equation are examined. It is concluded that the kernels are well behaved and that wind velocity profiles can be recovered using standard inversion techniques.

Hays, P. B.↗

NASA NTRS1990

Observation of a strong inverse temperature dependence for the opacity of atmospheric water vapor in the mm continuum near 280 GHz

Results are presented of the field measurements of atmospheric opacity at 278 GHz (9.3/cm) conducted at the McMurdo Station (Antarctica) during the austral springs of 1986 and 1987, in conjunction with balloon measurements of water vapor profile and total column density, showing a strong inverse temperature dependence when normalized to precipitable water vapor. The value of measured opacity per mm of precipitable water vapor (PWV) is roughly two times greater at -35 C than at -10 C and three times greater than measurements at +25 C reported by Zammit and Ade (1981). Various theories proposed to explain excess absorption in continuum regions are reviewed.

Emmons, Louisa K.↗

NASA NTRS1936

Correction of downwash in wind tunnels of circular and elliptic sections

The downwash velocity distribution behind the wing was determined for the free jet and for the closed tunnel of both circular and elliptic cross sections. The wing was placed at the center of the tunnel. The theory makes it possible to determine the downwash at any point in the jet. The computations were performed for points in the plane determined by the jet axis and the center-of-pressure line of the wing. The downwash proved to be proportional to the wing lift and inversely proportional to the cross-sectional area of the tunnel.

Lotz, Irmgard↗

DOE OSTI2022

Three-dimensional Skyrme Hartree-Fock-Bogoliubov solver in coordinate-space representation

The coordinate-space representation of the Hartree-Fock-Bogoliubov theory is the method of choice to study weakly bound nuclei whose properties are affected by the quasiparticle continuum space. To describe such systems, we developed a three-dimensional Skyrme-Hartree-Fock-Bogoliubov solver HFBFFT based on the existing, highly optimized and parallelized Skyrme-Hartree-Fock code Sky3D. The code does not impose any self-consistent spatial symmetries such as mirror inversions or parity. The underlying equations are solved in HFBFFT directly in the canonical basis using the fast Fourier transform. To remedy the problems with pairing collapse, we implemented the soft energy cutoff and pairing annealing. The convergence of HFB solutions was improved by a sub-iteration method. The Hermiticity violation of differential operators brought by Fourier-transform-based differentiation has also been solved. Furthermore, the accuracy and performance of HFBFFT were tested by benchmarking it against other HFB codes, both spherical and deformed, for a set of nuclei, both well-bound and weakly-bound.

3D coordinate-space representation↗

DOE OSTI2023

Radiative cooling effects on reverse shocks formed by magnetized supersonic plasma flows

We study the structure of reverse shocks formed by the collision of supersonic, magnetized plasma flows driven by an inverse (or exploding) wire array with a planar conducting obstacle. We observe that the structure of these reverse shocks varies dramatically with wire material, despite the similar upstream flow velocities and mass densities. For aluminum wire arrays, the shock is sharp and well-defined, consistent with magneto-hydrodynamic theory. In contrast, we do not observe a well-defined shock using tungsten wires, and instead we see a broad region dominated by density fluctuations on a wide range of spatial scales. We diagnose these two very different interactions using interferometry, Thomson scattering, shadowgraphy, and a newly developed imaging refractometer that is sensitive to small deflections of the probing laser corresponding to small-scale density perturbations. We conclude that the differences in shock structure are most likely due to radiative cooling instabilities, which create small-scale density perturbations elongated along magnetic field lines in the tungsten plasma. These instabilities grow more slowly and are smoothed by thermal conduction in the aluminum plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Analog Systems for Edge Optimization

Over the past decade, analog computing has the subject of substantial research interest providing a path toward improved computational efficiency in the post-Dennard era. Analog matrix vector multiplication (MVM) accelerators provide a popular approach given the ubiquity of MVM operations in numerous applications. However, historically analog computing systems can struggle with applications requiring high precision due to the inherent susceptibility of these systems to analog non-idealities. Therefore, prior work on analog systems has focused either on applications known to be tolerant of limited precision (e.g., neural network inference), or using expensive techniques to emulate high-precision using many analog MVM operations. In this work, we propose an alternative approach. Motivated by recent advances in inexact nonlinear solvers and optimizers, we explore the potential of co-designing optimization algorithms which can take full advantage of the fundamentally inexact analog MVM operations. To enable these co-designed algorithms we also develop a general mathematical theory of the precision and energy efficiency of analog operations, and a new system architecture for tightly-coupled analog and digital computation. Finally, we examine the applicability of analog computing to a wider class of symmetric positive definite systems and find potential in using analog operations as a sparse approximate inverse preconditioner. With these core innovations, this project provides a path toward effectively implementing optimization algorithms on power-constrained autonomous and semi-autonomous systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

The axion mass from 5D small instantons

We calculate a new contribution to the axion mass that arises from gluons propagating in a 5th dimension at high energies. By uplifting the 4D instanton solution to five dimensions, the positive frequency modes of the Kaluza-Klein states generate a power-law term in the effective action that inversely grows with the instanton size. This causes 5D small instantons to enhance the axion mass in a way that does not spoil the axion solution to the strong CP problem. Moreover this enhancement can be much larger than the usual QCD contribution from large instantons, although it requires the 5D gauge theory to be near the non-perturbative limit. Thus our result suggests that the mass range of axions (or axion-like particles), which is important for ongoing experimental searches, can depend sensitively on the UV modification of QCD.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Digital Twin for Chemical Science: a case study on water interactions on the Ag(111) surface

Directly visualizing chemical trajectories offers insights into catalysis, gas-phase reactions and photoinduced dynamics. Tracking the transformation of chemical species is best achieved by coupling theory and experiment. Here we developed Digital Twin for Chemical Science (DTCS) v.01, which integrates theory, experiment and their bidirectional feedback loops into a unified platform for chemical characterization. DTCS addresses a core question: given a set of experimental conditions, what is the expected outcome and why? It consists of a forward solver that takes a chemical reaction network and predicts spectra under experimental conditions, and an inverse solver that infers kinetics from measured spectra. We applied DTCS to ambient-pressure X-ray photoelectron spectroscopy measurements of the Ag–H2O interface as an example. This approach enables real-time knowledge extraction and guides experiments until a stopping condition is met based on accuracy and degeneracy. As a step toward autonomous chemical characterization, DTCS provides mechanistic knowledge in a verified, standardized manner.

Chemistry↗

NASA NTRS1980

Aerodynamic coefficients in generalized unsteady thin airfoil theory

Two cases are considered: (1) rigid body motion of an airfoil-flap combination consisting of vertical translation of given amplitude, rotation of given amplitude about a specified axis, and rotation of given amplitude of the control surface alone about its hinge; the upwash for this problem is defined mathematically; and (2) sinusoidal gust of given amplitude and wave number, for which the upwash is defined mathematically. Simple universal formulas are presented for the most important aerodynamic coefficients in unsteady thin airfoil theory. The lift and moment induced by a generalized gust are evaluated explicitly in terms of the gust wavelength. Similarly, in the control surface problem, the lift, moment, and hinge moments are given as explicit algebraic functions of hinge location. These results can be used together with any of the standard numerical inversion routines for the elementary loads (pitch and heave).

Williams, M. H.↗

NASA NTRS1993

Data analysis and interpretation of lunar dust exosphere

The lunar horizon glow observed by Apollo astronauts and recorded during the Surveyor missions is believed to result from the scattering of sunlight off lunar fines suspended in a dust layer above the lunar surface. For scale heights of tens of kilometers, theory and astronaut's observations suggest that the size of the dust particles will be smaller than 0.1 microns in radius and will act as Rayleigh scatters. This means that the dust scattered light will be 100 percent polarized at a 90 degree scattering angle and will depend on wavelength to the inverse fourth power ('bluing'). Believing these signatures to be observable from ground based telescopes, observational data in the form of CCD images has been collected from McDonald Observatory's 36 in. telescope, and the reduction and analysis of this data is the focus of the present report.

Andrews, George A., Jr.↗