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At least 91 records · Page 5

Numerically exact generalized Green's function cluster expansions for electron-phonon problems

We generalize the family of approximate momentum average methods to formulate a numerically exact, convergent hierarchy of equations whose solution provides an efficient algorithm to compute the Green's function of a particle dressed by bosons suitable in the entire parameter regime. We use this approach to extract ground-state properties and spectral functions. Our approximation-free framework, dubbed the generalized Green's function cluster expansion (GGCE), allows access to exact numerical results in the extreme adiabatic limit, where many standard methods struggle or completely fail. We showcase the performance of the method, specializing three important models of charge-boson coupling in solids and molecular complexes: the molecular Holstein model, which describes coupling between charge density and local distortions, the Peierls model, which describes modulation of charge hopping due to intersite distortions, and a more complex Holstein + Peierls system with couplings to two different phonon modes, paradigmatic of charge-lattice interactions in organic crystals. Furthermore, the GGCE serves as an efficient approach that can be systematically extended to different physical scenarios, thus providing a tool to model the frequency dependence of dressed particles in realistic settings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetic ground state of La 2 LiMoO 6 : A comparison with other Mo 5+ ( S=1/2 ) double perovskites

La 2 LiMoO 6 is a double perovskite (DP) with P2 1 /n symmetry based on the Mo5+ ion, 4d1, t2g1, S=1/2. It is isostructural with Sr 2 YMoO 6 , the magnetic ground state of which is apparently a very unusual collective spin singlet or valence-bond glass state as is the case for cubic (Fm-3m) Ba 2 YMoO 6 . Initial studies of La 2 LiMoO 6 suggested a different ground state from the other DPs but no clear conclusions could be drawn. A more detailed study is presented here including magnetic susceptibility, heat capacity, and elastic neutron-scattering results. This DP is now well characterized as an antiferromagnet, T N =18K, via observation of magnetic Bragg peaks in neutron scattering and an anomaly in the magnetic heat capacity. The ordering wave vector is k=( 1/21/2 0), consistent with a type I face-centered-cubic magnetic structure, and the ordered moment on Mo 5+ is 0.32(11)μ B , much reduced from the spin-only value of 1μ B . The index, f=|v c |/T N ~3, indicates a low level of frustration. The heat-capacity data above T N can be interpreted in terms of a one-dimensional spin-correlation model, as can the low-temperature data which follow a T 1 power law. This is consistent with an earlier suggestion. The difference with isostructural Sr 2 YMoO 6 is attributed to differences in the local distortion of the Mo–O octahedron and the resulting orbital ordering.

36 MATERIALS SCIENCE↗

Structural, electronic, and magnetic properties of nearly ideal J eff = 1/2 iridium halides

Heavy transition metal magnets with J e f f = 1 2 electronic ground states have attracted recent interest due to their penchant for hosting new classes of quantum spin liquids and superconductors. Unfortunately, model systems with ideal J e f f = 1 2 states are scarce due to the importance of noncubic local distortions in most candidate materials. In this work, we identify a family of iridium halide systems [i.e., K 2 Ir Cl 6 , K 2 Ir Br 6 , ( NH 4 ) 2 Ir Cl 6 , and Na 2 Ir Cl 6 · 6 ( H 2 O ) ] with Ir 4 + electronic ground states exhibiting extremely small deviations from the ideal J e f f = 1 2 limit. We also find ordered magnetic ground states for the three anhydrous systems, with single-crystal neutron diffraction on K 2 Ir Br 6 revealing type-I antiferromagnetism. This spin configuration is consistent with expectations for significant Kitaev exchange in a face-centered-cubic magnet. This work establishes that incorporating isolated Ir X 6 octahedra in materials, where X is a halogen ion with a low electronegativity, is an effective design principle for realizing unprecedented proximity to the pure J e f f = 1 2 state. However, at the same time, we highlight undeniable deviations from this ideal state, even in clean materials with ideal Ir X 6 octahedra as inferred from the global cubic crystal structures.

36 MATERIALS SCIENCE↗

Geodynamically corrected Pliocene shoreline elevations in Australia consistent with midrange projections of Antarctic ice loss

The Mid-Pliocene represents the most recent interval in Earth history with climatic conditions similar to those expected in the coming decades. Mid-Pliocene sea level estimates therefore provide important constraints on projections of future ice sheet behavior and sea level change but differ by tens of meters due to local distortion of paleoshorelines caused by mantle dynamics. We combine an Australian sea level marker compilation with geodynamic simulations and probabilistic inversions to quantify and remove these post-Pliocene vertical motions at continental scale. Dynamic topography accounts for most of the observed sea level marker deflection, and correcting for this effect and glacial isostatic adjustment yields a Mid-Pliocene global mean sea level of +16.0 (+10.4 to +21.5) m (50th/16th to 84th percentiles). Recalibration of recent high-end sea level projections using this revised estimate implies a more stable Antarctic Ice Sheet under future warming scenarios, consistent with midrange forecasts of sea level rise that do not incorporate a marine ice cliff instability.

54 ENVIRONMENTAL SCIENCES↗

New High-Entropy Perovskite Oxides with Increased Reducibility and Stability for Thermochemical Hydrogen Generation

This project aims to design, synthesize, and test a transformative class of High-Entropy Perovskite Oxides (HEPOs) as redox oxides to enable thermochemical hydrogen generation with improved stability, kinetics, and efficiency. These developed HEPOs are expected to demonstrate improved kinetics with oxygen surface exchange coefficient ( k > 7.5×10 -4 cm/s) in Budget Period (BP) 1, retain its structural stability in a broad range of oxygen non-stoichiometry (Δδ > 0.15) at a low operating reduction temperature of T red < 1400°C in BP 2, and deliver a H 2 yield of over 400 µmol per gram of oxide and high stability with less than 20% degradation after at least 50 cycles in BP 3. This project is feasible due to the unique thermodynamic properties (simultaneously increased reducibility and phase stability) and kinetic characters (stability against particle coarsening and potentially enhanced oxygen transport and surface reaction kinetics) of such HEPOs, and it is enabled by a unique active learning computational design approach. Computational studies have been conducted to investigate the oxygen vacancy formation in complex perovskite systems. * Accurate prediction of V O .. concentration with disordered A-site cations in Fe-based high-entropy perovskite oxides * Combined MC/DFT computation elucidates the mechanism of Co preference on the redox due to the strain introduced by local distortion. In this project, we explored a large number (~150) of perovskite compositions, which are listed in Tables 2 – 4). * All perovskite specimens have been synthesized through a high-throughput high-energy ball milling process, followed by the conventional sintering process. * XRD, SEM/EDS and TGA were performed to confirm the crystal structure, phase homogeneity and oxygen non-stoichiometry for compositionally complex perovskite oxides (CCPOs). * 110 compositions show single-phase from XRD * Unusual aliovalent doping effects in medium-entropy perovskite compositions. * V-shape relation between Δδ vs. x (La 1-x Sr x )(Mn 1/3 Fe 1/3 Ti 1/3 )O 3 * The highest reported hydrogen production for the CCPOs made in this project ( T re = 1350 ºC 30 min, T Ox = 1100 ºC 30 min) * B-site mixing (La 0.8 Sr 0.2 )(Mn 0.2 Fe 0.2 Co 0.4 Al 0.2 )O 3 : 89.97 ± 2.73 mmol H2 /mol oxide (395 ± 10 μmol/g oxide ) (i) No phase transformation during reactions when Co molar ratio is less than 61% (ii) Balance between intrinsic kinetics (oxygen surface exchange) and thermodynamics (oxygen non-stoichiometry) (iii) Preference of Co identified by in-situ XPS * A-site mixing (La 1/6 Pr 1/6 Nd 1/6 Gd 1/6 Ba 1/6 Sr1/6)MnO 3 : 98.48 mmol H2 /mol oxid e (~415 μmol/g oxide )

08 HYDROGEN↗

Measured performance of a 1089 K (1500 deg F) heat storage device for sun-shade orbital missions

Tubes designed for a solar heat receiver to serve as an energy source for a Brayton power system were tested for 2002 hours and 1251 sun-shade cycles. The tubes were designed to transfer a constant thermal input to the Brayton system during an orbit. Excess solar energy during a sun period is stored as heat of fusion of lithium fluoride. The niobium - 1% zirconium tubes accommodate the 23 percent volume decrease of LiF during freezing. Test results showed slight, local distortions. The gas discharge temperature varied from 16 K (29 F) below to 28 K (50 F) above the nominal value of 1089 K (1500 F). The tube surface temperatures ranged from 1039 K (1410 F) to 1183 K (1670 F).

Namkoong, D.↗

Topography, structure, and mare ridges in southern Mare Imbrium and northern Oceanus Procellarum

The gross topography in southern Mare Imbrium and northern Oceanus Procellarum correlates with the buried structure and deposits of the Imbrium Basin and its rim, and many of the mare slopes may be depositional and reflect the pre-existing major features of the basin. Post-depositional, local distortion of the mare surface, however, is present and in many places associated with mare ridges. Many mare ridges are concentric to the Imbrium Basin suggesting that they are influenced by basin structures. Morphologic diversity of mare ridges suggests that not all have the same origin, and volcanic activity took place along some of them. Most mare ridges are associated with faults. The faults could be reverse and associated with a shrinking of the moon, however, some ridges parallel slopes and could be interpreted as decollement thrust faults along gliding horizons or as vertical faults caused by differential gravitational settling along lines that separate areas that are thinly flooded on topographic highs from areas that are thickly flooded in adjacent lows.

Lucchitta, B. K.↗

Loran-C approach guidance project current status

There are four areas of work in the Loran-C flight test project. Current results provide performance data on the effects of Signal Noise Ratio (SNR) on the dynamic performance of the receiver filters for Loran-C data, and data on Loran-C grid deformation at a microscale of 100 meters. The Loran-C receiver provides a line of position (LOP) Master and Slave transmitter at an angle 0 to magnetic north. No transformation to latitude-longitude reference frame is required since this is the major source of Loran-C navigation errors. A local coordinate frame is established centered at touchdown point on the runway with directions along and across the runway. A Loran-C data collection system was set up. The Loran-C data are sent directly to an Apple II computer with a 12 inch monitor. The effect of SNR on Loran-C precision is shown for two receiver filters of different frequency response. A set of ground level static readings of touchdown was taken around Hanscom Field and transferred to an accurate detailed layout drawing; this showed local distortions of the average touchdown values.

Elias, A. L.↗

A streamwise vortex embedded in a plane mixing layer

Experimental results are presented on the interaction of a single streamwise vortex with a plane turbulent mixing layer. In the present setup, the vortex is generated by a half-delta wing mounted in the settling chamber of a blower-driven wind tunnel. Initially, the vortex is shown to ride just below the mixing layer, locally distorting the mean velocity and turbulence Reynolds stress distributions in the lower part of the mixing layer. Once the vortex becomes embedded within the mixing layer, the distortions are found to spread through the whole width of the layer, and the induced extra strain rates in the mixing layer result in the generation of additional, relatively large, Reynolds normal and shear stresses, mainly in the regions above the vortex.

Bell, James H.↗

Quasi-conformal remapping for compensation of human visual field defects - Advances in image remapping for human field defects

Image coordinate transformations are investigated for possible use in a low vision aid for human patients. These patients typically have field defects with localized retinal dysfunction predominately central (age related maculopathy) or peripheral (retinitis pigmentosa). Previously simple eccentricity-only remappings which do not maintain conformality were shown. Initial attempts on developing images which hold quasi-conformality after remapping are presented. Although the quasi-conformal images may have less local distortion, there are discontinuities in the image which may counterindicate this type of transformation for the low vision application.

Juday, Richard D.↗

Multi-disciplinary optimization of aeroservoelastic systems

The purpose of the research project was to continue the development of new methods for efficient aeroservoelastic analysis and optimization. The main targets were as follows: to complete the development of analytical tools for the investigation of flutter with large stiffness changes; to continue the work on efficient continuous gust response and sensitivity derivatives; and to advance the techniques of calculating dynamic loads with control and unsteady aerodynamic effects. An efficient and highly accurate mathematical model for time-domain analysis of flutter during which large structural changes occur was developed in cooperation with Carol D. Wieseman of NASA LaRC. The model was based on the second-year work 'Modal Coordinates for Aeroelastic Analysis with Large Local Structural Variations'. The work on continuous gust response was completed. An abstract of the paper 'Continuous Gust Response and Sensitivity Derivatives Using State-Space Models' was submitted for presentation in the 33rd Israel Annual Conference on Aviation and Astronautics, Feb. 1993. The abstract is given in Appendix A. The work extends the optimization model to deal with continuous gust objectives in a way that facilitates their inclusion in the efficient multi-disciplinary optimization scheme. Currently under development is a work designed to extend the analysis and optimization capabilities to loads and stress considerations. The work is on aircraft dynamic loads in response to impulsive and non-impulsive excitation. The work extends the formulations of the mode-displacement and summation-of-forces methods to include modes with significant local distortions, and load modes. An abstract of the paper,'Structural Dynamic Loads in Response to Impulsive Excitation' is given in appendix B. Another work performed this year under the Grant was 'Size-Reduction Techniques for the Determination of Efficient Aeroservoelastic Models' given in Appendix C.

Karpel, Mardechay↗

Equatorward and poleward expansion of the auroras during auroral substorms

The formation of the auroral bulge is investigated on the basis of all-sky TV auroral data with high spatial and temporal resolution. Ways in which the discrete auroral structures within the poleward expanding bulge develop systematically toward the west, the east, and also equatorward from a localized breakup region are shown. Auroral structure at the western end of the bulge (a surge) develops with clockwise rotation as viewed along the magnetic field direction. At the eastern part of the bulge, thin auroral features propagate eastward from the breakup region. Around the central meridian of the bulge, auroral features expand equatorward and become north-south aligned (the N-S aurora). The N-S aurora and the eastward propagating aurora develop into diffuse and pulsating aurora after the expansion. It is suggested that these discrete auroral structures in the bulge develop along the plasma streamlines in a localized distorted two-cell equipotential distribution.

Nakamura, Rumi↗

Air force and moment for N-20 wing with certain cut-outs

The airplane designer often finds it necessary, in meeting the requirements of visibility, to remove area or to otherwise locally distort the plan or section of an airplane wing. This report, prepared for the Bureau of Aeronautics January 15, 1925, contains the experimental results of tests on six 5 by 30 inch N-20 wing models, cut out or distorted in different ways, which were conducted in the 8 by 8 foot wind tunnel of the Navy Aerodynamical Laboratory in Washington in 1924. The measured and derived results are given without correction for vl/v for wall effect and for standard air density, p=0.00237 slug per cubic foot.

Smith, R H↗

Acoustic receptivity due to weak surface inhomogeneities in adverse pressure gradient boundary layers

The boundary layer receptivity to free-stream acoustic waves in the presence of localized surface disturbances is studied for the case of incompressible Falkner-Skan flows with adverse pressure gradients. These boundary layers are unstable to both viscous and inviscid (i.e., inflectional) modes, and the finite Reynolds number extension of the Goldstein-Ruban theory provides a convenient method to compare the efficiency of the localized receptivity processes in these two cases. The value of the efficiency function related to the receptivity caused by localized distortions in surface geometry is relatively insensitive to the type of instability mechanism, provided that the same reference length scale is used to normalize the efficiency function for each type of instability. In contrast, when the receptivity is induced by variations in wall suction velocity or in wall admittance distribution, the magnitudes of the related efficiency functions, as well as the resulting coupling coefficients, are smaller for inflectional (i.e., Rayleigh) modes than for the viscous Tollmien-Schlichting waves. The reduced levels of receptivity can be attributed mainly to the shorter wavelengths and higher frequencies of the inflectional modes. Because the most critical band of frequencies shifts toward higher values, the overall efficiency of the wall suction- and the wall admittance-induced receptivity decreases with an increase in the adverse pressure gradient.

Choudhari, Meelan↗

Aircraft electric field measurements: Calibration and ambient field retrieval

An aircraft locally distorts the ambient thundercloud electric field. In order to determine the field in the absence of the aircraft, an aircraft calibration is required. In this work a matrix inversion method is introduced for calibrating an aircraft equipped with four or more electric field sensors and a high-voltage corona point that is capable of charging the aircraft. An analytic, closed form solution for the estimate of a (3 x 3) aircraft calibration matrix is derived, and an absolute calibration experiment is used to improve the relative magnitudes of the elements of this matrix. To demonstrate the calibration procedure, we analyze actual calibration date derived from a Lear jet 28/29 that was equipped with five shutter-type field mill sensors (each with sensitivities of better than 1 V/m) located on the top, bottom, port, starboard, and aft positions. As a test of the calibration method, we analyze computer-simulated calibration data (derived from known aircraft and ambient fields) and explicitly determine the errors involved in deriving the variety of calibration matrices. We extend our formalism to arrive at an analytic solution for the ambient field, and again carry all errors explicitly.

Koshak, William J.↗

Multi-Modal Image Registration and Matching for Localization of a Balloon on Titan

A solution was developed that matches visible/IR imagery aboard a balloon in Saturn's moon Titan's atmosphere to SAR (synthetic aperture radar) and visible/IR data acquired from orbit. A balloon in Titan's atmosphere must be able to localize itself autonomously both globally and with respect to local terrain. The orbital data is used to provide the balloon imagery with global context. The work is novel in applying mutual information (MI) to orbital vs. aerial data. There are unique challenges in this setting. Image offsets are much higher than in medical imaging, there is local distortion due to 3D terrain relief, and the fields of regard from orbit and from the air are quite different.

Ansar, Adnan I.↗

Local isotropy in distorted turbulent boundary layers at high Reynolds number

This is a report on the continuation of our experimental investigations of the hypothesis of local isotropy in shear flows. This hypothesis, which states that at sufficiently high Reynolds numbers the small-scale structures of turbulent motions are independent of large-scale structures and mean deformations, has been used in theoretical studies of turbulence and computational methods such as large-eddy simulation. Since Kolmogorov proposed his theory, there have been many experiments, conducted in wakes, jets, mixing layers, a tidal channel, and atmospheric and laboratory boundary layers, in which attempts have been made to verify - or refute - the local-isotropy hypothesis. However, a review of the literature over the last five decades indicated that, despite all these experiments in shear flows, there was no consensus in the scientific community regarding this hypothesis, and, therefore, it seemed worthwhile to undertake a fresh experimental investigation into this question.

Saddoughi, Seyed G.↗