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At least 955 records · Page 53

Density measurements from crossed beams at high extinction

The formulation of the crossed beam correlation technique is generalized to include strongly absorbing media. The first measurements of point density fluctuations at contact surfaces have been obtained. The presence of turbulent bursts is confirmed and a characteristic spectral frequency of approximately 400 Hz is estimated.

Johnson, J. A., III↗

Uniform Dust Deposition System for Dust Tolerance Studies

Future missions to the Moon will require mechanisms and materials to effectively and reliably operate in the presences of lunar regolith. One of the challenges of developing such technologies is terrestrial testing with lunar dust simulants. Dust has a stochastic nature of depositing and it can be difficult to accurately apply it to surfaces of interest. Deposition density, particles size distribution, and percent coverage are all factors that affect the quality of dust mitigation testing. Therefore, to enable such testing the dust mitigation and seals teams at NASA Glenn Research Center (GRC) have developed a system that can uniformly and repeatably deposit lunar simulants on a range of surfaces. Testing of the Dust Deposition System (DDS) and an associatedsimulant preparation methodology have quantified the levels of uniformity and precision for this system. Furthermore, the deposition system has been paired with automated micrograph capturing and machine learning image analysis to correlate the images of dust on a surface to deposition density (in g/cm2). This correlation alleviates the need for tested samples to be accurately weighed with milligram precision and may be a useful tool for in-situ contamination evaluation on the Moon. This paper covers the design and validation testing for the DDS.

Stephen Gerdts↗

Uniform Dust Deposition System for Dust Tolerance Studies

Future missions to the Moon will require mechanisms and materials to effectively and reliably operate in the presences of lunar regolith. One of the challenges of developing such technologies is terrestrial testing with lunar dust simulants. Dust has a stochastic nature of depositing and it can be difficult to accurately apply it to surfaces of interest. Deposition density, particles size distribution, and percent coverage are all factors that affect the quality of dust mitigation testing. Therefore, to enable such testing the dust mitigation and seals teams at NASA Glenn Research Center (GRC) have developed a system that can uniformly and repeatably deposit lunar simulants on a range of surfaces. Testing of the Dust Deposition System (DDS) and an associated simulant preparation methodology have quantified the levels of uniformity and precision for this system. Furthermore, the deposition system has been paired with automated micrograph capturing and machine learning image analysis to correlate the images of dust on a surface to deposition density (in g/cm2). This correlation alleviates the need for tested samples to be accurately weighed with milligram precision and may be a useful tool for in-situ contamination evaluation on the Moon. This paper covers the design and validation testing for the DDS.

Dust↗

Random strain induced correlations in materials with intertwined nematic and magnetic orders

Electronic nematicity is rarely observed as an isolated instability of a correlated electron system. Instead, in iron pnictides and in certain cuprates and heavy-fermion materials, nematicity is intertwined with an underlying spin-stripe or charge-stripe state. As a result, random strain, ubiquitous in any real crystal, creates both random-field disorder for the nematic degrees of freedom and random-bond disorder for the spin or charge ones. Here, we put forward an Ashkin-Teller model with random Baxter fields to capture the dual role of random strain in nematic systems for which nematicity is a composite order arising from a stripe state. Using Monte Carlo to simulate this random Baxter-field model, we find not only the expected break-up of the system into nematic domains, but also the emergence of nontrivial disorder-promoted magnetic correlations. Such correlations enhance and tie up the fluctuations associated with the two degenerate magnetic stripe states from which nematicity arises, leaving characteristic signatures in the spatial profile of the magnetic domains, in the configurational space of the spin variables, and in the magnetic noise spectrum. We discuss possible experimental manifestations of these effects in iron-pnictide superconductors. Furthermore, our work establishes the random Baxter-field model as a more complete alternative to the random-field Ising model to describe complex electronic nematic phenomena in the presence of disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Solar control of the earth's emission of energetic O(+)

Energetic (0.1-16 keV/e) O(+) data obtained in the earth's plasma sheet (between 10 and 23 RE) by an ion mass spectrometer on the ISEE-1 spacecraft are compared statistically with published data on the concurrent solar wind and IMF. The most strongly variable parameter of the plasma sheet O(+) is its density, which is found to be well correlated with certain solar wind parameters, especially with the solar wind flow speed and the IMF component perpendicular to the flow vector. When those two solar wind parameters are combined to form an electric field (-v x B), both the number density and the energy density of the O(+) are found to vary in proportion to the square of that electric field, on average, suggesting that the emission of energetic O(+) ions from the earth may be powered by that same field. Based on this and on the previously published correlation with solar activity, it is argued that the emission of O(+) is controlled by a combination of HF (ionizing) and quasi-static (accelerating) solar electromagnetic fields.

Lennartsson, W.↗

The SAMI Galaxy Survey: stellar population and structural trends across the Fundamental Plane

ABSTRACT We study the Fundamental Plane (FP) for a volume- and luminosity-limited sample of 560 early-type galaxies from the SAMI survey. Using r-band sizes and luminosities from new multi-Gaussian expansion photometric measurements, and treating luminosity as the dependent variable, the FP has coefficients a = 1.294 ± 0.039, b = 0.912 ± 0.025, and zero-point c = 7.067 ± 0.078. We leverage the high signal-to-noise ratio of SAMI integral field spectroscopy, to determine how structural and stellar population observables affect the scatter about the FP. The FP residuals correlate most strongly (8σ significance) with luminosity-weighted simple stellar population (SSP) age. In contrast, the structural observables surface mass density, rotation-to-dispersion ratio, Sérsic index, and projected shape all show little or no significant correlation. We connect the FP residuals to the empirical relation between age (or stellar mass-to-light ratio Υ⋆ ) and surface mass density, the best predictor of SSP age amongst parameters based on FP observables. We show that the FP residuals (anti)correlate with the residuals of the relation between surface density and Υ⋆ . This correlation implies that part of the FP scatter is due to the broad age and Υ⋆ distribution at any given surface mass density. Using virial mass and Υ⋆, we construct a simulated FP and compare it to the observed FP. We find that, while the empirical relations between observed stellar population relations and FP observables are responsible for most (75 per cent) of the FP scatter, on their own they do not explain the observed tilt of the FP away from the virial plane.

D’Eugenio, Francesco↗

Solar wind deceleration and MHD turbulence in the earth's foreshock region - ISEE 1 and 2 and IMP 8 observations

The interaction of the solar wind with ions backstreaming from the earth's bow shock is investigated using plasma and magnetic field measurements on ISEE 1 and 2 and IMP 8 at widely separated positions in the earth's foreshock. This technique separates temporal and spatial variations within the foreshock. It is found that the solar wind acceleration associated with backstreaming ions is correlated with the amplitude of the MHD turbulence, and that the largest decelerations are seen close to the bow shock. The density of the backstreaming ion beam is strongly correlated with distance from the shock, and decreases by about a factor of three in a distance of about 3R(e).

Bonifazi, C.↗

Correlated Dirac–Coulomb–Breit multiconfigurational self-consistent-field methods

The fully correlated frequency-independent Dirac–Coulomb–Breit Hamiltonian provides the most accurate description of electron–electron interaction before going to a genuine relativistic quantum electrodynamics theory of many-electron systems. In this work, we introduce a correlated Dirac–Coulomb–Breit multiconfigurational self-consistent-field method within the frameworks of complete active space and density matrix renormalization group. In this approach, the Dirac–Coulomb–Breit Hamiltonian is included variationally in both the mean-field and correlated electron treatment. Here, we also analyze the importance of the Breit operator in electron correlation and the rotation between the positive- and negative-orbital space in the no-virtual-pair approximation. Atomic fine-structure splittings and lanthanide contraction in diatomic fluorides are used as benchmark studies to understand the contribution from the Breit correlation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The use of silica aerogel to collect interplanetary dust in space

We report on impact experiments to evaluate the suitability of silica aerogel as a capture medium for interplanetary dust particles in space. The structure of silica aerogel is such that even micrometer-sized hypervelocity particles may sense it as a target of very low density; consequently shock stresses and temperatures due to impact should be minimized. We performed impact experiments in a light gas gun that employed projectiles manufactured from forsterite, pyrrhotite, and calcite. From these experiments we have developed techniques that will permit the successful extrication of interplanetary dust particles from aerogel. We note a rough correlation between increasing particle penetration lengths and decreasing aerogel density, and there is a poor correlation of track lengths with impact velocity at laboratory-attainable velocities of 5-7 km/s. We conclude that aerogel track length should not be used even as (crude) velocity indicators. Transmission electron microscope studies show the re covered particulate residues are encased in melted silica aerogel, which possibly protects the residue from some impact damage. Individual minerals within interplanetary dust are expected to exhibit differential survival, and may be vaporized, melted, dehydrated, or structurally reordered. However, some mineral grains should successfully be captured in an unmelted state at encounter velocities less than 8 km/s.

Zolensky, Michael E.↗

Effect of buoyancy on fuel containment in an open-cycle gas-core nuclear rocket engine.

Analysis aimed at determining the scaling laws for the buoyancy effect on fuel containment in an open-cycle gas-core nuclear rocket engine, so conducted that experimental conditions can be related to engine conditions. The fuel volume fraction in a short coaxial flow cavity is calculated with a programmed numerical solution of the steady Navier-Stokes equations for isothermal, variable density fluid mixing. A dimensionless parameter B, called the Buoyancy number, was found to correlate the fuel volume fraction for large accelerations and various density ratios. This parameter has the value B = 0 for zero acceleration, and B = 350 for typical engine conditions.

Putre, H. A.↗

Structural and dynamic properties of solvated hydroxide and hydronium ions in water from ab initio modeling

Predicting the asymmetric structure and dynamics of solvated hydroxide and hydronium in water from ab initio molecular dynamics (AIMD) has been a challenging task. The difficulty mainly comes from a lack of accurate and efficient exchange–correlation functional in elucidating the amphiphilic nature and the ubiquitous proton transfer behaviors of the two ions. By adopting the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation functional in AIMD simulations, we systematically examine the amphiphilic properties, the solvation structures, the electronic structures, and the dynamic properties of the two water ions. In particular, we compare these results to those predicted by the PBE0-TS functional, which is an accurate yet computationally more expensive exchange–correlation functional. We demonstrate that the general-purpose SCAN functional provides a reliable choice for describing the two water ions. Specifically, in the SCAN picture of water ions, the appearance of the fourth and fifth hydrogen bonds near hydroxide stabilizes the pot-like shape solvation structure and suppresses the structural diffusion, while the hydronium stably donates three hydrogen bonds to its neighbors. We apply a detailed analysis of the proton transfer mechanism of the two ions and find the two ions exhibit substantially different proton transfer patterns. In conclusion, our AIMD simulations indicate that hydroxide diffuses more slowly than hydronium in water, which is consistent with the experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamics of iodine geminate recombination in supercritical xenon solvent: Caging effect

Understanding the dynamics of chemical reactions in solutions is vital, as their rates and kinetics are significantly affected by the solvent environment. Supercritical solvents offer extensive applications in chemical reactions by enabling the manipulation of the solution environment. Here, in this study, we investigate the geminate recombination of iodine in a supercritical xenon solvent by using ReaxFF-based molecular dynamics simulations. Our findings reveal that the highest iodine recombination rate occurs near supercritical conditions, while lower-pressure conditions lead to reduced collision rates and unstable recombination, and higher-pressure conditions hinder iodine diffusion, resulting in a lower recombination rate. Our analysis shows that the xenon local density at the time of recombination is at least 2.5 times higher than the global density, confirming the presence of xenon clusters surrounding the Iodine atoms. This observation is further supported by coordination number analysis, which confirms an elevated xenon local density during recombination. In addition, the correlation between the total energy of xenon atoms within a cluster and recombined iodine atoms underscores the kinetic energy transfer process, validating the occurrence of geminate recombination. The excess kinetic energy from the recombining iodine atoms is transferred to the surrounding xenon atoms. Our examination of geminate recombination demonstrates that iodine atoms confined within xenon clusters—whether through manual insertion of atoms or the fast dissociation of an iodine molecule within xenon clusters—are more likely to recombine as primary geminate recombination. However, extending the iodine molecule dissociation time allows iodine atoms to diffuse out of the cluster, and the recombination to shift toward secondary geminate recombination.

Cage effect↗

Piecewise interaction picture density matrix quantum Monte Carlo

The density matrix quantum Monte Carlo (DMQMC) set of methods stochastically samples the exact N-body density matrix for interacting electrons at finite temperature. We introduce a simple modification to the interaction picture DMQMC (IP-DMQMC) method that overcomes the limitation of only sampling one inverse temperature point at a time, instead allowing for the sampling of a temperature range within a single calculation, thereby reducing the computational cost. At the target inverse temperature, instead of ending the simulation, we incorporate a change of picture away from the interaction picture. The resulting equations of motion have piecewise functions and use the interaction picture in the first phase of a simulation, followed by the application of the Bloch equation once the target inverse temperature is reached. We find that the performance of this method is similar to or better than the DMQMC and IP-DMQMC algorithms in a variety of molecular test systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exact constraints and appropriate norms in machine-learned exchange-correlation functionals

Machine learning techniques have received growing attention as an alternative strategy for developing general-purpose density functional approximations, augmenting the historically successful approach of human-designed functionals derived to obey mathematical constraints known for the exact exchange-correlation functional. More recently, efforts have been made to reconcile the two techniques, integrating machine learning and exact-constraint satisfaction. We continue this integrated approach, designing a deep neural network that exploits the exact constraint and appropriate norm philosophy to de-orbitalize the strongly constrained and appropriately normed (SCAN) functional. The deep neural network is trained to replicate the SCAN functional from only electron density and local derivative information, avoiding the use of the orbital-dependent kinetic energy density. The performance and transferability of the machine-learned functional are demonstrated for molecular and periodic systems.

Artificial neural networks↗

Partial-reflection studies of D-region winter variability

D-region electron densities were measured from December, 1972, to July, 1973, at Urbana, Illinois (latitude 40.2N) using the partial-reflection technique. During the winter, electron densities at altitudes of 72, 76.5, and 81 km show cyclical changes with a period of about 5 days that are highly correlated between these altitudes, suggesting that the mechanism responsible for the winter anomaly in D-region ionization applies throughout this height region. From January 13 to February 3, a pronounced wave-like variation occurred in the partial-reflection measurements, apparently associated with a major stratospheric warming that developed in that period. During the same time period, a traveling periodic variation is observed in the 10-mb height; it is highly correlated with the partial-reflection measurements. Electron density enhancements occur approximately at the same time as increases in the 10-mb height. Comparison of AL and A3 absorption measurements with electron density measurements below 82 km indicates that the winter anomaly in D-region ionization is divided into two types. Type 1, above about 82 km, extends horizontally for about 200 km while type 2, below about 82 km, extends for a horizontal scale of at least 1000 km.

Denny, B. W.↗

Low-dosage micronized 17 beta-estradiol prevents bone loss in postmenopausal women

With the use of a double-blind, randomized, dose-ranging design, we tested during an 18-month period the degree of protection against postmenopausal bone loss afforded by micronized 17 beta-estradiol in dosages of 0.5, 1.0, and 2.0 mg. All subjects received supplementation to ensure a minimum of 1500 mg calcium daily. Fifty-one subjects completed at least 1 year of follow-up bone density measurements by quantitative computed tomography and by single- and dual-photon absorptiometry. In the placebo group spinal trabecular bone density decreased 4.9% annually (p less than 0.001), whereas in those taking micronized 17 beta-estradiol bone density tended to increase (annual increases of 0.3% in the 0.5 mg micronized 17 beta-estradiol group, 1.8% in the 1.0 mg micronized 17 beta-estradiol group, and 2.5% in the 2.0 mg micronized 17 beta-estradiol group). After completing the double-blind phase, 41 subjects completed an additional 18 months of follow-up while taking 1.0 mg micronized 17 beta-estradiol. During this time one third of the subjects were randomly assigned to discontinue calcium supplements. Among those who previously received placebo, trabecular bone density increased 4.3% annually, whereas among those who had used micronized 17 beta-estradiol, trabecular bone density response was inversely related to the dosage previously used. Additionally and independently, the level of calcium intake showed a statistically significant correlation with the change in spinal trabecular bone density (r = 0.37, p = 0.02). We conclude that micronized 17 beta-estradiol has a continuous skeletal dose-response effect in the range of 0.5 to 2.0 mg and that calcium intake positively modifies the skeletal response to 1.0 mg micronized 17 beta-estradiol.

Randomized Controlled Trial↗

Unraveling the intrinsic atomic physics behind x-ray absorption line shifts in warm dense silicon plasmas

Here, we present a novel free-energy density functional theory (DFT)-based methodology for optical property calculations of warm dense matter to cover a wide range of thermodynamic conditions and photon energies including the entire x-ray range. It uses Mermin–Kohn–Sham density functional theory with exchange-correlation (XC) thermal effects taken into account via a fully temperature dependent generalized gradient approximation XC functional. The methodology incorporates a combination of the ab initio molecular dynamics (AIMD) snapshotted Kubo–Greenwood optic data with a single-atom in simulation cell calculations to close the photon energy gap between the L and K edges and extend the K-edge tail toward many-keV photon energies. This gap arises in the standard scheme due to a prohibitively large number of bands required for the Kubo–Greenwood calculations with AIMD snapshots. Kubo–Greenwood data on snapshots provide an accurate description of optic properties at low photon frequencies slightly beyond the L-edge and x-ray absorption near edges structure (XANES) spectra, while data from periodic calculations with single atoms cover the tail regions beyond the edges. To demonstrate its applicability to mid-Z materials where the standard DFT-based approach is not computationally feasible, we have applied it to opacity calculations of warm dense silicon plasmas. These first-principles calculations revealed a very interesting phenomon of red-to-blue shift in K–L (1s → 2p) and K-edge absorptions along both isotherm and isochore, which are absent in most continuum-lowering models of traditional plasma physics. This new physics phenomenon can be attributed to the underlying competition between the screening of deeply bound core electrons and the screening of outer-shell electrons caused by warm-dense-plasma conditions. We further demonstrate that the ratio of 1s → 2p to the K-edge x-ray absorptions can be used to characterize warm-dense-plasma conditions. Eventually, based on our absorption calculations, we have established a first-principles opacity table (FPOT) for silicon in a wide range of material densities and temperatures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Correlation of total sound power and peak sideline OASPL from jet exhausts

An empirical analysis of jet noise is made for convergent exhaust nozzles. An engineering approach to the correlation of total sound power and miximum sideline overall sound pressure level (OASPL), at 200 ft, is presented for both subsonic and supersonic jets based on available data. Data correlation for subsonic jets shows no dependency of total sound power and maximum sideline OASPL on jet density. The analysis for supersonic jets results in a correlation parameter for jet total sound power consisting of the conventional Lighthill parameter modified by considerations of jet Mach number and jet acoustic velocity. Similar parameters also correlate the maximum sideline OASPL for supersonic jets.

Vonglahn, U. H.↗