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At least 217 records · Page 12

A method for correcting aspect solution errors in ROSAT HRI observations of compact sources

X-ray point sources observed with the ROSAT High Resolution Imager (HRI) often appear elongated over scales of approximately 5 sec-10 sec from the image core. This elongation has been attributed to errors in the attitude correction as the satellite is wobbled during the observations, and affects sources with both soft and hard X-ray spectra. In this paper, I report the results of an attempt to rid a high signal-to-noise observation of the soft X-ray point source HZ 43 of its characteristic elongation. I divided the observation into 181 separate images, each containing photons from only a small region on the detector through which the source passed during the satellite's wobble. By measuring the positions of the individual image centroids, I found clear evidence for systematic offsets from a common mean by up to approximately +/- 3 sec in both right ascension and declination as a function of phase in the satellite wobble. Shifting the subimages to a common center and then restacking them into a single image measurably improved the symmetry of the point-spread function. HRI observations are wobbled primarily to smooth out variations in the pixel-to-pixel sensitivity of the detector and also to extend the lifetime of the microchannel plates in the detector since these decay at a given location as a function of the number of photons detected. However, the elongations introduced by the aspect errors inhibit the identification of possible extended X-ray emission associated with sources such as pulsars and active galactic nuclei. In light of these results, I suggest that until the aspect errors are understood, observations of compact sources, where this effect may be important, should not be wobbled.

Morse, Jon A.↗

Long-term Doppler Shift and Line Profile Studies of Planetary Search Target Stars

This grant supported attempts to develop a method for measuring the Doppler shifts of solar-type stars more accurately. The expense of future space borne telescopes to search for solar systems like our own makes it worth trying to improve the relatively inexpensive pre-flight reconnaissance by ground-based telescopes. The concepts developed under this grant contributed to the groundwork for such improvements. They were focused on how to distinguish between extrasolar planets and stellar activity (convection) cycles. To measure the Doppler shift (radial velocity; RV) of the center of mass of a star in the presence of changing convection in the star's photosphere, one can either measure the effect of convection separately from that of the star's motion and subtract its contribution to the apparent RV, or measure the RV in a way that is insensitive to convection. This grant supported investigations into both of these approaches. We explored the use of a Fabry-Perot Etalon HE interferometer and a multichannel Fourier Transform Spectrometer (mFTS), and finished making a 1.8-m telescope operational and potentially available for this work.

McMillan, Robert S.↗

Thermal Iron K and Alpha: Line Emission from the X-Ray Binary GX 339-4

The accretion rate of the black hole candidate X-ray binary GX 339-4 in the 'off' state is low, and an advection dominated accretion flow (ADAF) is present. Hydrogen-like and helium-like iron Kbalpha; emission lines at 6.7 and 6.95 keV from hot plasma of ADAF can be produced by recombination-cascade processes with moderately high intensities, which are markedly distinguished from the fluorescent iron Kα line at approximately 6.4 keV. We show that the observational features of GX 339-4 can be explained by the ADAF model, if the iron abundance is more than 10 times the solar value, though the reason for such a high abundance is still unclear. We suggest that the increase of the accretion rate makes GX 339-4 change from off, low, intermediate, to high and very high states, and the line center of iron Kbalpha; will therefore shift from approximately 6.83 to approximately 6.4 keV, i.e. to the fluorescent disc-line, since the disappearance of the ADAF due to its high accretion rate.

Xu, Y. D.↗

Evidence on Sizes and Fragmentation of the Nuclei of Comet Shoemaker-Levy 9 from Hubble Space Telescope Images

Central regions on the digital maps of 13 nuclear condensations of Comet Shoemaker-Levy 9, obtained with the Planetary Camera of the Hubble Space Telescope on January 24-25, March 28-30, and July 4, 1994, have been analyzed with the aim to identify the presence of distinct, major fragments in each condensation, to deconvolve their contributions to the signal that also includes the contribution from a surrounding cloud of dust (modeled as an extended source, using two different laws), to estimate the dimensions of the fragments and to study their temporal variations, and to determine the spatial distributions of the fragments as projected onto the plane of the sky. The deconvolution method applied is described and the results of the analysis are summarized, including the finding that sizable fragments die survive until the time of atmospheric entry. This result does not contradict evidence of the comet's continuing, apparently spontaneous fragmentation, which still went on long after the extremely close approach to Jupiter in July 1992 and which, because of the jovian tidal effects, may even have intensified in the final days before the crash on Jupiter. On plausible assumptions, the largest fragments are found to have had effect diameters of 4 km as late as March and event early July 1994. In most condensations, several sizable companions ( 1 km or more across) have been detected within 1000 km of the projected location of the brightest fragment and the surrounding dust cloud has been found to be centered on a point that is shifted in the general direction of the tail, probably due to effects of solar radiation pressure. Since the developed approach is based on certain premises and involves approximations, the results should be viewed as preliminary and the problem should be a subject of further investigation.

Comet Shoemaker-Levy 9↗

Life of a Six-Hour Hurricane

Hurricane Claudette developed from a weak vortex in 6 h as deep convection shifted from downshear into the vortex center, despite ambient vertical wind shear exceeding 10 m/s. Six hours later it weakened to a tropical storm, and 12 h after the hurricane stage a circulation center could not be found at 850 hPa by aircraft reconnaissance. At hurricane strength the vortex contained classic structure seen in intensifying hurricanes, with the exception of 7-12 C dewpoint depressions in the lower troposphere upshear of the center. These extended from the 100-km radius to immediately adjacent to the eyewall, where equivalent potential temperature gradients reached 6 K/km. The dry air was not present prior to intensification, suggesting that it was associated with vertical shear-induced subsidence upshear of the developing storm. It is argued that weakening of the vortex was driven by cooling associated with the mixing of dry air into the core, and subsequent evaporation and cold downdrafts. Evidence suggests that this mixing might have been enhanced by eyewall instabilities after the period of rapid deepening. The existence of a fragile, small, but genuinely hurricane-strength vortex at the surface for 6 h presents difficult problems for forecasters. Such a "temporary hurricane" in strongly sheared flow might require a different warning protocol than longer-lasting hurricane vortices in weaker shear.

Shelton, Kay L.↗

A physician’s working group guides COVID-19 prevention in a mission critical environment

Background A team was assembled at the National Aeronautics and Space Administration’s (NASA) Johnson Space Center (JSC) to help navigate the shifting COVID-19 pandemic. Their goal was to mitigate the impact of COVID on astronauts, other essential personnel, and the human spaceflight program. This team supplemented the JSC Pandemic Incident Response Group, whose function is to set policy for the overall management of JSC’s COVID-19 mitigations for all onsite mission-essential and mission-critical activities, including health policy. Context The first mission to return to Earth from the International Space Station at the start of the pandemic returned when there was limited information about the transmission and prevention of COVID-19. The medical leadership at JSC determined that a dedicated team was required to navigate the uncharted waters of the pandemic. Description of Activities Issues tackled by this panel included: prevention of COVID-19 transmission during altitude, dive, and spacecraft training – activities that require prolonged close contact between multiple individuals who often cannot safely wear face masks; mitigating the risks of domestic and international travel for essential personnel; securing COVID-19 testing from local and foreign hospital systems; acquiring antigen and PCR analyzers for in-house testing; and the development of quarantine policies for crewed spacecraft launches and landings in Kazakhstan and the United States. The panel also provides clinical return-to-work guidance for cases of COVID-19 in essential personnel.

covid↗

Designs for scalable construction of hybrid quantum photonic cavities

Nanophotonic resonators are central to numerous applications, from efficient spin–photon interfaces to laser oscillators and precision sensing. A leading approach consists of photonic crystal (PhC) cavities, which have been realized in a wide range of dielectric materials. However, translating proof-of-concept devices into a functional system entails a number of additional challenges, inspiring new approaches that combine resonators with wavelength-scale confinement and high quality factors; scalable integration with integrated circuits and photonic circuits; electrical or mechanical cavity tuning; and, in many cases, a need for heterogeneous integration with functional materials such as III–V semiconductors or diamond color centers for spin–photon interfaces. Here we introduce a concept that generates a finely tunable PhC cavity at a selected wavelength between two heterogeneous optical materials whose properties satisfy the above requirements. The cavity is formed by stamping a hard-to-process material with simple waveguide geometries on top of an easy-to-process material consisting of dielectric grating mirrors and active tuning capability. We simulate our concept for the particularly challenging design problem of multiplexed quantum repeaters based on arrays of cavity-coupled diamond color centers, achieving theoretically calculated unloaded quality factors of 106, mode volumes as small as 1.2(λ/neff)3, and maintaining >60% total on-chip collection efficiency of fluorescent photons. We further introduce a method of low-power piezoelectric tuning of these hybrid diamond cavities, simulating optical resonance shifts up to ∼760 GHz and color center fluorescence tuning of 5 GHz independent of cavity tuning. These results will motivate integrated photonic cavities toward larger scale systems-compatible designs.

Greenspon, Andrew S. (ORCID:0000000296317568)↗

ENSO Recharge Oscillator Theory Integrating the Southward Wind Shift

The El Niño–Southern Oscillation (ENSO) is one of the most‐well understood climate phenomena, and the Recharge Oscillator (RO) theory is widely used to conceptualize its physics in observations and models. ENSO‐associated equatorial zonal wind anomalies shift southward in boreal winter, contributing to ENSO termination. Thus far, this effect has not been explicitly described in the RO framework. Here we derive a new form of the RO under the low‐frequency limit that incorporates the seasonal migration of zonal wind anomalies. In our theory, the Bjerknes feedback depends on the central latitude of zonal wind anomalies, decaying exponentially as winds shift away from the equator. Meanwhile, wind anomalies centered off the equator induce equatorial wave adjustment and thereby have a delayed effect on sea surface temperature anomalies. A stochastic RO simulation with a prescribed wind shift reproduces about half the amplitude of ENSO seasonal synchronization as well as ENSO combination tones.

54 ENVIRONMENTAL SCIENCES↗

Nuclear charge densities in spherical and deformed nuclei: Toward precise calculations of charge radii

Precise measurements of atomic transitions affected by electron-nucleus hyperfine interactions offer sensitivity to explore basic properties of the atomic nucleus and study fundamental symmetries, including the search for new physics beyond the standard model of particle physics. Specifically, such measurements, augmented by atomic and nuclear calculations, will enable extraction of the higher-order radial moments of the charge-density distribution in spherical and deformed nuclei. The new data impose higher precision requirements on a theoretical description. The nuclear charge density is composed of the proton point distribution folded with the nucleonic charge distributions. The latter induce subtle relativistic corrections due to the coupling of nucleon magnetic moments with the nuclear spin-orbit density. Additional corrections come from the effect of center-of-mass projection. We assess the precision of nuclear charge density calculations by studying the behavior of relativistic and center-of-mass motion corrections to the second and fourth charge radial moments. Special attention has been paid to the magnetic spin-orbit density associated with the local variations of the spin-orbit current. The calculations for semimagic and open-shell nuclei are performed in the framework of self-consistent mean-field theory using quantified energy density functionals and density-dependent pairing forces. We used the general expression for the spin-orbit form factor that is valid for spherical and deformed nuclei. We studied the impact of various correction terms on the charge radii, fourth radial moments, diffraction radii, and surface thickness of spherical and deformed nuclei. The spin-orbit corrections to charge radial moments and surface thickness show strong shell fluctuations which can make an appreciable effect when aiming at high-precision predictions of isotopic shifts. The inclusion of relativistic and center-of-mass corrections impacts the quality of energy density functionals optimized to charge radii data. To establish reliable constraints on the existence of new forces from isotope shift measurements, precise calculations of nuclear charge densities of deformed nuclei are needed. The proper inclusion of the spin-orbit charge density and other correction terms is essential when aiming at extraction of subtle effects which become particularly visible in isotopic trends. It is also important when developing high-quality nuclear energy density functionals optimized using heterogeneous datasets involving absolute charge radii, differential charge radii, and charge form factor properties deduced from electron-scattering data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Rational design of photosynthetic reaction center protein maquettes

New technologies for efficient solar-to-fuel energy conversion will help facilitate a global shift from dependence on fossil fuels to renewable energy. Nature uses photosynthetic reaction centers to convert photon energy into a cascade of electron-transfer reactions that eventually produce chemical fuel. The design of new reaction centers de novo deepens our understanding of photosynthetic charge separation and may one day allow production of biofuels with higher thermodynamic efficiency than natural photosystems. Recently, we described the multi-step electron-transfer activity of a designed reaction center maquette protein (the RC maquette), which can assemble metal ions, tyrosine, a Zn tetrapyrrole, and heme into an electron-transport chain. Here, we detail our modular strategy for rational protein design and show that the intended RC maquette design agrees with crystal structures in various states of assembly. A flexible, dynamic apo-state collapses by design into a more ordered holo-state upon cofactor binding. Crystal structures illustrate the structural transitions upon binding of different cofactors. Spectroscopic assays demonstrate that the RC maquette binds various electron donors, pigments, and electron acceptors with high affinity. We close with a critique of the present RC maquette design and use electron-tunneling theory to envision a path toward a designed RC with a substantially higher thermodynamic efficiency than natural photosystems.

09 BIOMASS FUELS↗

Integrating AI Data Centers with the Power Grid

The rapid expansion of artificial intelligence (AI) has triggered an unprecedented surge in electricity demand, with US data center energy use projected to double or triple 2023 levels by 2028. This exponential growth places strain on grid infrastructure, which can hinder timely construction of desired computing capacity. To bridge this supply-demand gap, utilities and AI developers are increasingly turning to demand flexibility, a strategy that incentivizes shifting or reducing power use during peak periods of grid stress. Data centers are uniquely equipped for flexible operations due to their digital workloads, built-in redundancy, and onsite energy assets. This article outlines four primary mechanisms to enable data center flexibility: computational load flexibility (shifting tasks temporally or geographically), flexible use of core facility infrastructure adjustments, energy storage utilization, and onsite electricity generation. To encourage adoption, utilities are deploying new tariff designs, including voluntary interruptible service riders, mandated flexibility requirements, and streamlined interconnection processes for flexible loads. For the highly capitalized and rapidly growing AI industry, the primary motivators for embracing these strategies are expediting facility interconnection, satisfying emerging regulatory mandates, and mitigating community resistance. While demand flexibility cannot substitute the long-term need for new bulk power generation, it serves as an essential, immediate solution for enabling near-term deployment. By transforming data centers from grid stressors into stabilizing assets, flexible operations can ensure reliable grid integration, ease market pressures, and support a resilient power system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Anthropometric changes and fluid shifts

Several observations of body size, shape, posture, and configuration were made to document changes resulting from direct effects of weightlessness during the Skylab 4 mission. After the crewmen were placed in orbit, a number of anatomical and anthropometric changes occurred including a straightening of the thoracolumbar spine, a general decrease in truncal girth, and an increase in height. By the time of the earliest in-flight measurement on mission day 3, all crewmen had lost more than two liters of extravascular fluid from the calf and thigh. The puffy facies, the bird legs effect, the engorgement of upper body veins, and the reduced volume of lower body veins were all documented with photographs. Center-of-mass measurements confirmed a fluid shift cephalad. This shift remained throughout the mission until recovery, when a sharp reversal occurred; a major portion of the reversal was completed in a few hours. The anatomical changes are of considerable scientific interest and of import to the human factors design engineer, but the shifts of blood and extravascular fluid are of more consequence. It is hypothesized that the driving force for the fluid shift is the intrinsic and unopposed lower limb elasticity that forces venous blood and then other fluid cephalad.

Thornton, W. E.↗

Methodology for Generating Conflict Scenarios by Time Shifting Recorded Traffic Data

A methodology is presented for generating conflict scenarios that can be used as test cases to estimate the operational performance of a conflict probe. Recorded air traffic data is time shifted to create traffic scenarios featuring conflicts with characteristic properties similar to those encountered in typical air traffic operations. First, a reference set of conflicts is obtained from trajectories that are computed using birth points and nominal flight plans extracted from recorded traffic data. Distributions are obtained for several primary properties (e.g., encounter angle) that are most likely to affect the performance of a conflict probe. A genetic algorithm is then utilized to determine the values of time shifts for the recorded track data so that the primary properties of conflicts generated by the time shifted data match those of the reference set. This methodology is successfully demonstrated using recorded traffic data for the Memphis Air Route Traffic Control Center; a key result is that the required time shifts are less than 5 min for 99% of the tracks. It is also observed that close matching of the primary properties used in this study additionally provides a good match for some other secondary properties.

Paglione, Mike↗

High-energy heavy-ion scattering and the optical phase shift function

Within the framework of the Glauber approximation, an exact expression for the optical phase shift function is derived which takes into account the center-of-mass correlation function. We calculate total and differential cross sections using the first-order term for the shift function and compare them with the usual (first-order) optical limit results and, for the lighter nuclei, with the exact Glauber results. The nucleus-nucleus elastic scattering amplitude does not exhibit the large-q divergence which characterizes the usual optical limit. The obtained results improve the calculated total and differential cross sections dramatically for light nuclei, and significantly for medium and heavy nuclei.

Franco, V.↗

New Human-Computer Interface Concepts for Mission Operations

The current climate of budget cuts has forced the space mission operations community to reconsider how it does business. Gone are the days of building one-of-kind control centers with teams of controllers working in shifts 24 hours per day, 7 days per week. Increasingly, automation is used to significantly reduce staffing needs. In some cases, missions are moving towards lights-out operations where the ground system is run semi-autonomously. On-call operators are brought in only to resolve anomalies. Some operations concepts also call for smaller operations teams to manage an entire family of spacecraft. In the not too distant future, a skeleton crew of full-time general knowledge operators will oversee the operations of large constellations of small spacecraft, while geographically distributed specialists will be assigned to emergency response teams based on their expertise. As the operations paradigms change, so too must the tools to support the mission operations team's tasks. Tools need to be built not only to automate routine tasks, but also to communicate varying types of information to the part-time, generalist, or on-call operators and specialists more effectively. Thus, the proper design of a system's user-system interface (USI) becomes even more importance than before. Also, because the users will be accessing these systems from various locations (e.g., control center, home, on the road) via different devices with varying display capabilities (e.g., workstations, home PCs, PDAS, pagers) over connections with various bandwidths (e.g., dial-up 56k, wireless 9.6k), the same software must have different USIs to support the different types of users, their equipment, and their environments. In other words, the software must now adapt to the needs of the users! This paper will focus on the needs and the challenges of designing USIs for mission operations. After providing a general discussion of these challenges, the paper will focus on the current efforts of creatin(y an effective USI for one specific suite of tools, SERS (The Spacecraft Emergency Response System), which has been built to enable lights-out operations. SERS is a Web-based collaborative environment that enables secure distributed fault management.

Fox, Jeffrey A.↗

R –8 Dispersion Interaction: Derivation and Application to the Effective Fragment Potential Method

The anisotropic and isotropic R –8 dispersion contributions (disp8) are derived and implemented within the framework of the effective fragment potential (EFP) method formulated with imaginary frequency-dependent Cartesian polarizability tensors distributed at the centroids of the localized molecular orbitals (LMOs). Two forms of damping functions, intermolecular overlap-based and Tang–Toennies, are extended for disp8. To obtain LMO polarizability tensors centered at LMO centroids, an origin-shifting transformation is derived and implemented for the dipole–octopole polarizability tensor and the quadrupole–quadrupole polarizability tensor. The analytic gradient is derived and implemented for the isotropic disp8 contribution. Relative to the previously implemented empirical EFP disp8 energy, the isotropic disp8 component of the interaction energy improves the overall agreement of the EFP dispersion energies with the symmetry-adapted perturbation theory (SAPT) benchmarks, reducing the mean absolute errors (MAEs) and mean absolute percentage errors for most of the databases examined in this work. Further, while the anisotropic disp8 can further enhance the accuracy of the EFP dispersion energy and yield smaller MAEs, significantly overbound dispersion energies are predicted by the anisotropic disp8 when the maximum element in the intermolecular overlap matrix is greater than 0.1, possibly due to the breakdown of the approximations made in the EFP dispersion derivation at a short range. For potential energy scan databases, the newly developed EFP dispersion model with isotropic disp8 yields the overall correct curvature and good agreement with SAPT benchmarks around equilibrium and longer but overestimates the dispersion interactions at a short range. While the overlap-based dispersion-damping functions produce better MAEs than Tang–Toennies damping functions, further improvement is needed to better screen the large attractive dispersion energies at a short range (overlap >0.1).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration

Abstract With the goal of accelerating the design and discovery of metal–organic frameworks (MOFs) for electronic, optoelectronic, and energy storage applications, we present a dataset of predicted electronic structure properties for thousands of MOFs carried out using multiple density functional approximations. Compared to more accurate hybrid functionals, we find that the widely used PBE generalized gradient approximation (GGA) functional severely underpredicts MOF band gaps in a largely systematic manner for semi-conductors and insulators without magnetic character. However, an even larger and less predictable disparity in the band gap prediction is present for MOFs with open-shell 3 d transition metal cations. With regards to partial atomic charges, we find that different density functional approximations predict similar charges overall, although hybrid functionals tend to shift electron density away from the metal centers and onto the ligand environments compared to the GGA point of reference. Much more significant differences in partial atomic charges are observed when comparing different charge partitioning schemes. We conclude by using the dataset of computed MOF properties to train machine-learning models that can rapidly predict MOF band gaps for all four density functional approximations considered in this work, paving the way for future high-throughput screening studies. To encourage exploration and reuse of the theoretical calculations presented in this work, the curated data is made publicly available via an interactive and user-friendly web application on the Materials Project.

36 MATERIALS SCIENCE↗

Optimizing microfluidic flow cell geometry for in situ resonant soft X-ray characterization of molecular nanostructures

Liquid-phase resonant soft X-ray scattering (LP-RSoXS) is an emerging label-free technique to probe chemically resolved nanostructures of molecular or hybrid materials in liquid environments. Still, quantitative analysis is hindered by the pressure-induced deformation of thin silicon nitride (SiN) membranes used as windows in microfluidic flow cells, which attenuates the signal in nonlinear ways, making experimental optimization difficult. Here, in this work, we directly characterize this deformation under experimental conditions for a variety of cell configurations. We use this to develop a predictive model that combines transmission effects of SiN bowing, incident X-ray beam profiles, and material-dependent resonant scattering cross sections to simulate the effective scattering intensity at the detector across the carbon K-edge. Maps of the total signal across the flow cell window reveal that increasing the window width and polymer concentration shifts the anisotropic intensity distributions from the center toward the edges of the window. It was determined that an optimal SiN thickness of 50 nm, with a window aperture of 104 μm, maximizes the total signal for typical solute concentrations and energies across the carbon K-edge. Our results overturn the assumption that corner regions dominate the scattering signal, offering explicit design guidelines for maximizing LP-RSoXS signals and significantly advancing the quantitative application of this technique to the characterization of molecular and hybrid nanostructured materials in liquids.

Grabner, Devin [Washington State Univ., Pullman, W↗