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NASA NTRS1994

On the prediction of velocity fields from redshift space galaxy samples

We present a new method for recovering the underlying velocity field from an observed distribution of galaxies in redshift space. The method is based on a kinematic Zel'dovich relation between the velocity and density fields in redshift space. This relation is expressed in a differential equation slightly modified from the usual Poisson equation and which depends nontrivially on Beta identically equal to Omega(exp 0.6)/b. The linear equation can be readily solved by standard techniques of separation of variables by means of spherical harmonics. One can also include a term describing the 'rocket effect' discussed by Kaiser (1987). From this redshift space information alone, one can generate a prediction of the peculiar velocity field for each harmonic (l, m) as a function of distance. We note that for the quadrupole and higher order moments, the equation is a boundary value problem with solutions dependent on both the interior and exterior mass distribution. However, for a shell at distance r, the dipole, as well as the monopole, of the velocity field in the Local Group frame is fully determined by the interior mass distribution. This implies that the shear of the measured velocity field, when fitted to a dipole distortion, should be aligned and consistent with the gravity field inferred from the well determined local galaxy distribution. As a preliminary application we compute the velocity dipole of distant shells as predicted from the 1.2 Jy IRAS survey compared to the measured velocity dipole on shells, as inferred from a recent POTENT analysis. The coherence between the two fields is good, yielding a best estimate of Beta = 0.6 +/- 0.2.

Nusser, Adi↗

NASA NTRS2010

Technology Advancement of the Visible Nulling Coronagraph

The critical high contrast imaging technology for the Extrasolar Planetary Imaging Coronagraph (EPIC) mission concept is the visible nulling coronagraph (VNC). EPIC would be capable of imaging jovian planets, dust/debris disks, and potentially super-Earths and contribute to answering how bright the debris disks are for candidate stars. The contrast requirement for EPIC is 10(exp 9) contrast at 125 milli-arseconds inner working angle. To advance the VNC technology NASA/Goddard Space Flight Center, in collaboration with Lockheed-Martin, previously developed a vacuum VNC testbed, and achieved narrowband and broadband suppression of the core of the Airy disk. Recently our group was awarded a NASA Technology Development for Exoplanet Missions to achieve two milestones: (i) 10(exp 8) contrast in narrowband light, and, (ii) 10(ecp 9) contrast in broader band light; one milestone per year, and both at 2 Lambda/D inner working angle. These will be achieved with our 2nd generation testbed known as the visible nulling testbed (VNT). It contains a MEMS based hex-packed segmented deformable mirror known as the multiple mirror array (MMA) and coherent fiber bundle, i.e. a spatial filter array (SFA). The MMA is in one interferometric arm and works to set the wavefront differences between the arms to zero. Each of the MMA segments is optically mapped to a single mode fiber of the SFA, and the SFA passively cleans the sub-aperture wavefront error leaving only piston, tip and tilt error to be controlled. The piston degree of freedom on each segment is used to correct the wavefront errors, while the tip/tilt is used to simultaneously correct the amplitude errors. Thus the VNT controls both amplitude and wavefront errors with a single MMA in closed-loop in a vacuum tank at approx.20 Hz. Herein we will discuss our ongoing progress with the VNT.

Lyon, Richard G.↗

DOE OSTI2021

Transparent window 2D IR spectroscopy of proteins

Proteins are complex, heterogeneous macromolecules that exist as ensembles of interconverting states on a complex energy landscape. A complete, molecular-level understanding of their function requires experimental tools to characterize them with high spatial and temporal precision. Infrared (IR) spectroscopy has an inherently fast time scale that can capture all states and their dynamics with, in principle, bond-specific spatial resolution. Two-dimensional (2D) IR methods that provide richer information are becoming more routine but remain challenging to apply to proteins. Spectral congestion typically prevents selective investigation of native vibrations; however, the problem can be overcome by site-specific introduction of amino acid side chains that have vibrational groups with frequencies in the “transparent window” of protein spectra. This Perspective provides an overview of the history and recent progress in the development of transparent window 2D IR of proteins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Nanolignin-based high internal phase emulsions for efficient protection of curcumin against UV degradation

As an emulsifier, lignin exhibits excellent UV resistance on drug-loaded emulsion systems for drug delivery. However, due to the structural variation and complexity of lignins from various origins, their UV shielding performance varies with the techniques for lignin extraction, which impacts properties and the protection efficiency of lignin-based HIPEs (high internal phase emulsions). In this work, lignin nanoparticles, prepared from three lignin preparations of Eucalyptus, were used in HIPEs delivery systems to protect curcumin from degradation by UV radiation. Structures of the lignin preparations were characterized using 2D HSQC (heteronuclear single-quantum coherence) NMR (nuclear magnetic resonance), 31 P NMR, and GPC (gel permeation chromatography). The residual curcumin level after 36h UV exposure in the nanolignin-based HIPEs was over 72%, much higher than that (< 10% after 24 h UV exposure) in the oil phase without lignin, indicating that the nanolignin-based HIPEs with enhanced UV shielding ability protect curcumin better. Of the three lignin preparations, AL (alkali lignin), with the lowest molecular weight, highest contents of phenolic hydroxyl and carboxyl groups, and highest S/G ratio, displayed the best anti-UV radiation ability and the most uniform nanoparticle size.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

A Statistical Framework for Evaluating Rain Microphysics in Model Simulations and Disdrometer Observations

Abstract Statistical analyses of a large disdrometer data set and a diverse set of model simulations for convection using the Regional Atmospheric Modeling System were conducted, with the mutual goal of providing insights into precipitation formation and microphysical processes. We demonstrate that a two‐moment bulk microphysical model successfully captures the dominant observed modes of variability in rainfall related to rainfall intensity and raindrop size distributions. The model reproduced the general distribution of observed precipitation groups (PGs) derived from Principal Component Analysis. The multi‐variable analysis also uncovered some shortcomings in the model as well as limitations of the disdrometer data. The model solutions were constrained in their predicted drop size distributions (DSDs) due to the fixed DSD parameters assumed in a two‐moment microphysics scheme. A case study from the Mid‐latitude Continental Clouds and Convection Experiment field project demonstrated how model results can be used to contextualize the disdrometer observations which are limited in sample size, spatial coherence, and detection of small drops and low drop concentrations. The case study also showed that the spatial patterns of the statistically derived PGs revealed by the model are consistent with the hypothesized microphysical processes that determine surface rain DSDs. This work demonstrates how leveraging the strengths of observations and models together can improve our understanding and representation of rain microphysical processes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Bootstrap embedding for interacting electrons in phonon coherent-state mean field

Here, we develop a Fermi–Bose bootstrap embedding framework for the ground state of interacting electrons coupled to a phonon mean field. The method combines bootstrap embedding for correlated electrons with a self-consistent coherent-state mean-field treatment for phonons. This method models the interacting electron–phonon problem as a system of correlated electrons traveling in a self-consistently specified potential landscape, allowing for efficient treatment of large lattice systems. Convergence of the methods for fragment size and total system size is demonstrated for the one-dimensional Hubbard–Holstein model for up to 350 sites. Finite-size scaling is performed to extrapolate to the infinite system size. Benchmarking against the density matrix renormalization group for a small 8-site system at half- and quarter-filling shows an orders-of-magnitude runtime advantage. The comparison further reveals that the method performs best in regimes dominated by localization, such as the Mott insulating phase and the strong-coupling tiny polaron regime, where the local embedding ansatz is still valid. However, due to the mean-field treatment for phonons, we find limitations of our methods in the weakly coupled delocalized region and at the Peierls transition, where quantum phonon fluctuations and long-range kinetic correlations become substantial.

Islam, Shariful [North Carolina State University, ↗

NASA NTRS1991

Effects of atmospheric modeling errors on determinations of baseline vectors from very long baseline interferometry

An investigation is conducted in order to expose errors in the formula for the elevation angle dependence of the hydrostatic atmospheric propagation delay, called the mapping function. A series of special VLBI experiments that involve a large fraction of group delay data from very low elevation angles are performed. Twenty-two experiments, each 26 hours in duration, were performed using VLBI antennas at Goldstone, California and at Westford, Massachusetts. Elevation angle cutoff tests were used to examine the contribution of these errors to the estimates of the vertical coordinate of site position. This contribution is determined to be about 19 mm. It is also found that, for the spacing of 1-2 months between experiments, the mapping function errors do not exhibit a coherent annual signature, but appear to be random in the long term.

Davis, J. L.↗

NASA NTRS2004

Complexity Induced Anisotropic Bimodal Intermittent Turbulence in Space Plasmas

The "physics of complexity" in space plasmas is the central theme of this exposition. It is demonstrated that the sporadic and localized interactions of magnetic coherent structures arising from the plasma resonances can be the source for the coexistence of nonpropagating spatiotemporal fluctuations and propagating modes. Non-Gaussian probability distribution functions of the intermittent fluctuations from direct numerical simulations are obtained and discussed. Power spectra and local intermittency measures using the wavelet analyses are presented to display the spottiness of the small-scale turbulent fluctuations and the non-uniformity of coarse-grained dissipation that can lead to magnetic topological reconfigurations. The technique of the dynamic renormalization group is applied to the study of the scaling properties of such type of multiscale fluctuations. Charged particle interactions with both the propagating and nonpropagating portions of the intermittent turbulence are also described.

Chang, Tom↗

DOE OSTI2023

Hybrid organic–inorganic two-dimensional metal carbide MXenes with amido- and imido-terminated surfaces

Two-dimensional (2D) transition-metal carbides and nitrides (MXenes) combine the electronic and mechanical properties of 2D inorganic crystals with chemically modifiable surfaces, which provides an ideal platform for both fundamental and applied studies of interfaces. Good progress has been achieved in the functionalization of MXenes with small inorganic ligands, but relatively little work has been reported on the covalent bonding of various organic groups to MXene surfaces. Here we synthesize a family of hybrid MXenes (h-MXenes) that incorporate amido- and imido-bonding between organic and inorganic parts by reacting halogen-terminated MXenes with deprotonated organic amines. The resulting hybrid structures unite tailorability of organic molecules with electronic connectivity and other properties of inorganic 2D materials. Describing the structure of h-MXene necessitates the integration of concepts from coordination chemistry, self-assembled monolayers and surface science. The optical properties of h-MXenes reveal coherent coupling between the organic and inorganic constituents. Further, h-MXenes also exhibit superior stability against hydrolysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Material coherence from trajectories via Burau eigenanalysis of braids

In this paper, we provide a numerical tool to study a material’s coherence from a set of 2D Lagrangian trajectories sampling a dynamical system, i.e., from the motion of passive tracers. We show that eigenvectors of the Burau representation of a topological braid derived from the trajectories have levelsets corresponding to components of the Nielsen–Thurston decomposition of the dynamical system. One can thus detect and identify clusters of space–time trajectories corresponding to coherent regions of the dynamical system by solving an eigenvalue problem. Unlike previous methods, the scalable computational complexity of our braid-based approach allows the analysis of large amounts of trajectories.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Inversion of dynamical Bragg intensities to complex structure factors by iterated projections. For Ultramic. 2020. ("Pico" Festschrift, May 2021)

We discuss a method for recovering complex structure factors from many simultaneously excited Bragg beam intensities is described. The method is applied to simulated transmission electron diffraction data over a wide range of crystal thickness and beam energies. The method is based on iterated projections between structure and scattering matrices, which are related by a matrix unitary transformation, exponential, which we invert. The algorithm removes multiple-scattering perturbations from diffraction data and might be extended to other fields, including X-ray and neutron diffraction and cryo-electron microscopy. Because coherent multiple scattering involves interference between Bragg beams, the method also solves the phase problem. Unlike dynamical inversion from electron microscope images or ptychography data, the method, which starts with Bragg beam intensities, provides complex structure factors unaffected by focusing errors or resolution limitations imposed by lenses. We provide inversions from simulated data with 441 simultaneously excited Bragg beams over a range of thickness and beam energy. We discuss the retrieval of chirality information from enantiomorphs, the efficient incorporation of symmetry information using the irreducible representation of the group of structure matrices, and the effect of HOLZ lines to provide three-dimensional information.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1985

Io: Precise Comparison of Voyager Spectral Curves with Laboratory Measurements

In order to derive more accurate normal reflectances of regions on Io, the near-opposition (alpha 10 deg) photometry of a set of regions on the 20 W face of the satellite, the face with the most complete near-opposition Voyager imaging coverage was analyzed. Sixty-eight regions were chosen for study, each approximately 120 km on a side, and divided into three coherent color classes: white, orange, and polar brown regions. Derived Minneart parameters, while generally consistent with previous limb darkening determinations, show that: (1) for the white regions, k rises linearly with increasing B(0), which is the trend to be expected for normal materials; (2) the white regions are slightly limb brightened (k 0.5) at low wavelengths (low values of B(0)); and (3) k appears to drop with rising B(0) for the orange regions, contrary to the trend expected for most materials. Despite similar reflectances, there is one group of orange regions with large opposition surges and a second group showing significantly lower surges, possibly indicating differences in surface texture (porosity and/or particle size).

Simonelli, D. P.↗

NASA NTRS1998

Precision Spectroscopy, Diode Lasers, and Optical Frequency Measurement Technology

This compilation is a selected set of reprints from the Optical Frequency Measurement Group of the Time and Frequency Division of the National Institute of Standards and Technology, and consists of work published between 1987 and 1997. The two main programs represented here are (1) development of tunable diode-laser technology for scientific applications and precision measurements, and (2) research toward the goal of realizing optical-frequency measurements and synthesis. The papers are organized chronologically in five, somewhat arbitrarily chosen categories: Diode Laser Technology, Tunable Laser Systems, Laser Spectroscopy, Optical Synthesis and Extended Wavelength Coverage, and Multi-Photon Interactions and Optical Coherences.

DIODE LASERS↗

NASA NTRS2020

A Systems Analysis Approach to Understanding the Physiological Adaptation to Spaceflight

This book is a summary of interdisciplinary research (physiology, space medicine, engineering, computer science, mathematics) that spans two decades (1972-1992). The research was an attempt to use systems analysis, mathematical modeling, computer simulations, and database systems to integrate the biomedical spaceflight data that was being collected during this period. The goal of the effort was to achieve a better understanding of the human physiological response to short-term and long-term space travel. The activity was primarily devoted to analyzing the biomedical results of Skylab (1973-74), a series of three space missions which is still ranked as the most comprehensive of all long-term biomedical space studies to date. This work was begun as a coordinated effort between the National Aeronautics and Space Administration (Johnson Space Center) and the General Electric Company’s Space Division (Houston, TX). It was the intent that this multidisciplined, integrative approach could reveal aspects of the then-new science of microgravity adaptation that were not obvious by adhering to the traditional methodology of examining each organ system in isolation. Some joint work with the Russians, including the Apollo-Soyez test project and a joint bedrest study was also supported during this period. In the 1980’s the systems analysis group’s effort was redirected to support the science management of human and animal experiments on the Space Shuttle. A few examples from this era are also included in the book. Parts of this work have been published elsewhere, presented at technical meetings, and documented in reports with limited distribution. These publications will be referenced throughout the text and the interested reader is advised to use these as resource material where additional details are desired. The intent of this book is not to reproduce these documents but rather to present a coherent view of the integrative analysis under one cover. This volume contains the first detailed publication (other than in internal reports) of an extensive metabolic balance analysis of Skylab data, the development and validation of the “Whole-Body Algorithm,” and simulation studies of diverse hypogravic environments. An analysis of cardiovascular deconditioning and a description of the calcium regulatory model are also new. A long period has passed between the completion of the main body of work represented in this book and its publication in this form. It was inevitable that new research efforts would lead to developments related to the spaceflight problems addressed and thereby make some of our biomedical conclusions obsolete. Although in some cases reference to more recent work have been included, for the most part this book should be considered an historical summary demonstrating the approach and utility of systems analysis and computer modeling in the NASA Life Sciences program at the time the studies were conducted.

Leonard, Joel I.↗

DOE OSTI2021

Observation of Fundamental Mechanisms in Compression-Induced Phase Transformations Using Ultrafast X-ray Diffraction

As theoretically hypothesized for several decades in group IV transition metals, we have discovered a dynamically stabilized body-centered cubic (bcc) intermediate state in Zr under uniaxial loading at sub-nanosecond timescales. Under ultrafast shock wave compression, rather than the transformation from α-Zr to the more disordered hex-3 equilibrium ω-Zr phase, in its place we find the formation of a previously unobserved nonequilibrium bcc metastable intermediate. We probe the compression-induced phase transition pathway in zirconium using time-resolved sub-picosecond x-ray diffraction analysis at the Linac Coherent Light Source. We also present molecular dynamics simulations using a potential derived from first-principles methods which independently predict this intermediate phase under ultrafast shock conditions. In contrast with experiments on longer timescale (> 10 ns) where the phase diagram alone is an adequate predictor of the crystalline structure of a material, our recent study highlights the importance of metastability and time dependence in the kinetics of phase transformations.

36 MATERIALS SCIENCE↗

NASA NTRS1989

Electro-optic architecture (EOA) for sensors and actuators in aircraft propulsion systems

Results of a study to design an optimal architecture for electro-optical sensing and control in advanced aircraft and space systems are described. The propulsion full authority digital Electronic Engine Control (EEC) was the focus for the study. The recommended architecture is an on-engine EEC which contains electro-optic interface circuits for fiber-optic sensors on the engine. Size and weight are reduced by multiplexing arrays of functionally similar sensors on a pair of optical fibers to common electro-optical interfaces. The architecture contains common, multiplex interfaces to seven sensor groups: (1) self luminous sensors; (2) high temperatures; (3) low temperatures; (4) speeds and flows; (5) vibration; (6) pressures; and (7) mechanical positions. Nine distinct fiber-optic sensor types were found to provide these sensing functions: (1) continuous wave (CW) intensity modulators; (2) time division multiplexing (TDM) digital optic codeplates; (3) time division multiplexing (TDM) analog self-referenced sensors; (4) wavelength division multiplexing (WDM) digital optic code plates; (5) wavelength division multiplexing (WDM) analog self-referenced intensity modulators; (6) analog optical spectral shifters; (7) self-luminous bodies; (8) coherent optical interferometers; and (9) remote electrical sensors. The report includes the results of a trade study including engine sensor requirements, environment, the basic sensor types, and relevant evaluation criteria. These figures of merit for the candidate interface types were calculated from the data supplied by leading manufacturers of fiber-optic sensors.

Glomb, W. L., Jr.↗

NASA NTRS1994

Measurement of very small phase fluctuations by means of the operational approach

Recently Noh, Fourgeres and Mandel (NFM) have improved the operational approach to the quantum phase problem substantially and measured the phase dispersion of coherent light down to very small means photon numbers of the order of 10(exp -2). This has prompted many other investigations and clarified some important questions in relation to what is actually measured. Although their treatment is rather general, we confine ourselves here to the case of a strong local oscillator (LO) and reproduce their measurement scheme. Surprisingly enough, this simultaneous measurement of the sine and the cosine of the phase difference is completely equivalent to an old proposal to measure the phase after strong linear amplification realized experimentally by the Welling group. The reason for this rests on the fact, that in both cases the results are determined by the Q function of the signal. This was shown for amplification in and for the measurement after beam splitting by Lai and Haus.

Bandilla, Arno↗

DOE OSTI2025

Niobium coaxial cavities with internal quality factors exceeding 1.4 × 10 9 for circuit quantum electrodynamics

Group-V materials such as niobium and tantalum have become popular choices for extending the performance of circuit quantum electrodynamics (cQED) platforms, allowing for quantum processors and memories with reduced error rates and more modes. The complex surface chemistry of niobium, however, makes identifying the main modes of decoherence difficult at millikelvin temperatures and single-photon powers. We use niobium coaxial quarter-wave cavities to study the impact of etch chemistry, prolonged atmospheric exposure, and the significance of cavity conditions prior to and during cooldown—in particular, niobium hydride evolution—on single-photon coherence. We demonstrate cavities with quality factors Q int ≳ 1.4 × 10 9 in the single-photon regime, a 15-fold improvement over aluminum cavities of the same geometry. We rigorously quantify the sensitivity of our fabrication process to various loss mechanisms and demonstrate a two- to fourfold reduction in the two-level system loss tangent and a three- to fivefold improvement in the residual resistance over traditional buffered chemical polishing etching techniques. Finally, we demonstrate transmon integration and coherent cavity control while maintaining a cavity coherence of 11.3 ms. The accessibility of our method, which can be easily replicated in academic laboratory settings, together with the demonstration of its performance, mark an advancement in three-dimensional cQED.

Oriani, Andrew E. [Chicago U., EFI; Chicago U.] (O↗