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At least 667 records · Page 37

Exploring the impact of ions on oxygen K-edge X-ray absorption spectroscopy in NaCl solution using the GW-Bethe-Salpeter-equation approach

X-ray absorption spectroscopy (XAS) is a powerful experimental tool to probe the local structure in materials with the core hole excitations. Here, the oxygen K-edge XAS spectra of the NaCl solution and pure water are computed by using a recently developed GW-Bethe-Salpeter equation approach, based on configurations modeled by path-integral molecular dynamics with the deep-learning technique. The neural network is trained on ab initio data obtained with strongly constrained and appropriately normed density functional theory. The observed changes in the XAS features of the NaCl solution, compared to those of pure water, are in good agreement between experimental and theoretical results. We provided detailed explanations for these spectral changes that occur when NaCl is solvated in pure water. Specifically, the presence of solvating ion pairs leads to localization of electron-hole excitons. As a result, our theoretical XAS results support the theory that the effects of the solvating ions on the H-bond network are mainly confined within the first hydration shell of ions, however beyond the shell the arrangement of water molecules remains to be comparable to that observed in pure water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Lunar X-ray Observatory (LXO)

X-ray emission from charge exchange recombination between the highly ionized solar wind and neutral material i n Earth's magnetosheath has complicated x-ray observations of celestial objects with x-ray observatories including ROSAT, Chandra, XMM-Newton, and Suzaku. However, the charge-exchange emission can also be used as an important diagnostic of the solar-wind interacting with the magnetosheath. Soft x-ray observations from low-earth orbit or even the highly eccentric orbits of Chandra and XMM-Newton are likely superpositions of the celestial object of interest, the true extra-solar soft x-ray background, geospheric charge exchange, and heliospheric charge exchange. We show that with a small x-ray telescope placed either on the moon, in a similar vein as the Apollo ALSOP instruments, or at a stable orbit near L1, we can begin t o disentangle the complicated emission structure in the soft x-ray band. Here we present initial results of a feasibility study recently funded by NASA t o place a small x-ray telescope on the lunar surface. The telescope operates during lunar night to observe charge exchange interactions between the solar wind and magnetospheric neutrals, between the solar wind and the lunar atmosphere, and an unobstructed view of the soft x-ray background without the geospheric component.

Porter, F. Scott↗

Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction

Abstract Lattice and electronic structure interactions for f -electrons are fundamental challenges for lanthanide equation of state development. Difficulties in first-principles calculations, such as density functional theory (DFT), emphasize the need for well-characterized experimental data. Here, we measure in-situ x-ray diffraction of shocked samarium (Sm) and temperature along the Hugoniot for the first time, providing direct evidence for phase transitions. We report direct evidence of a distorted fcc (dfcc) phase at 23 GPa. Shocked samarium melts from the dfcc phase starting at 33 GPa (1333 K), with complete melt at 40 GPa (1468 K). Previous work indicated shock melt at 27 GPa (1200 K), underscoring the significance of x-ray measurements for detecting phase transitions. Interestingly, our observed melting is in sharp contrast with the melting reported by a diamond anvil cell study. These experimental data can tightly constrain first principles calculations and serve as key touchstones for equation of state modeling.

36 MATERIALS SCIENCE↗

Adaptively driven X-ray diffraction guided by machine learning for autonomous phase identification

Machine learning (ML) has become a valuable tool to assist and improve materials characterization, enabling automated interpretation of experimental results with techniques such as X-ray diffraction (XRD) and electron microscopy. Because ML models are fast once trained, there is a key opportunity to bring interpretation in-line with experiments and make on-the-fly decisions to achieve optimal measurement effectiveness, which creates broad opportunities for rapid learning and information extraction from experiments. Here, we demonstrate such a capability with the development of autonomous and adaptive XRD. By coupling an ML algorithm with a physical diffractometer, this method integrates diffraction and analysis such that early experimental information is leveraged to steer measurements toward features that improve the confidence of a model trained to identify crystalline phases. We validate the effectiveness of an adaptive approach by showing that ML-driven XRD can accurately detect trace amounts of materials in multi-phase mixtures with short measurement times. The improved speed of phase detection also enables in situ identification of short-lived intermediate phases formed during solid-state reactions using a standard in-house diffractometer. Our findings showcase the advantages of in-line ML for materials characterization and point to the possibility of more general approaches for adaptive experimentation.

36 MATERIALS SCIENCE↗

A medium sensitivity X-ray survey using the Einstein Observatory - The log N-log S relation for extragalactic X-ray sources

The paper presents results of an X-ray survey of about 50 sq deg of the high galactic latitude sky at sensitivities in the range of 7 x 10 to the -14 to 5 x 10 to the -12 ergs/sq cm/s. The number-flux relation is derived for the extragalactic population to yield a best-fit power-law slope of 1.53 + or - 0.16, and the content of the sample is analyzed in terms of types of sources, appearing to be significantly different from the content of similar samples selected at higher fluxes. The medium sensitivity sample of extragalactic sources is dominated by active galactic nuclei, while samples selected at higher fluxes and higher energies are dominated by clusters of galaxies. Thus, the number-flux relation for extragalactic sources may be interpreted to a first approximation as the sum of the two different distributions with flatter and steeper slopes describing clusters and AGNs, respectively.

Maccacaro, T.↗

Progress in the Development of Mo-Au Transition-Edge Sensors for X-Ray Spectroscopy

X-ray microcalorimeters using transition-edge sensors (TES) show great promise for use in astronomical x-ray spectroscopy. We have obtained very high energy resolution (2.8 electronvolts at 1.5 kiloelectronvolts and 3.7 electronvolts at 3.3 kiloelectronvolts) in a large, isolated TES pixel using a Mo/Au proximity-effect bilayer on a silicon nitride membrane. We will discuss the performance and our characterization of that device. In order to be truly suitable for use behind an x-ray telescope, however, such devices need to be arrayed with a pixel size and focal-plane coverage commensurate with the telescope focal length and spatial resolution. Since this requires fitting the TES and its thermal link, a critical component of each calorimeter pixel, into a far more compact geometry than has previously been investigated, we must study the fundamental scaling laws in pixel optimization. We have designed a photolithography mask that will allow us to probe the range in thermal conductance that can be obtained by perforating the nitride membrane in a narrow perimeter around the sensor. This mask will also show the effects of reducing the TES area. Though we have not yet tested devices of the compact designs, we will present our progress in several of the key processing steps and discuss the parameter space of our intended investigations.

of Magnetic Calorimeters for Applications in X-ray↗

Pulsed X-ray observations of Cen X-3 from Ariel-5

The 4.8 second X-ray pulsations from Centaurus X-3 were monitored by the MSSL collimated proportional counter on board Ariel-5 between 18-27 January 1975. Analysis of the source Doppler effect shows that the pulsation period of Cen X-3 decreased by 3.70 + or - 0.04 milliseconds during the preceding 2.3 years. The Doppler analysis also yields updated values for the binary phase and period of Cen X-3. Phase zero occurred at JD 2442438.628 + or - 0.003, and the average heliocentric binary period between October 1972 and January 1975 was 2.087129 + or - 0.000007 days. Light curves of the 4.8 second pulsations in the 3-9 keV band are characterized by two pronounced peaks, in contrast with the single peak profiles observed by Uhuru.

Tuohy, I. R.↗

SAS-3 observations of an X-ray flare from Cygnus X-1

Preliminary results are presented for the SAS-3 observation of an X-ray flare from Cygnus X-1. The 1.5 to 6 keV intensity rose by a factor of four and exhibited variability on several time scales from seconds to hours. The 6 to 15 keV intensity showed less activity. The event is similar to that observed by ANS and Ariel 5, but lasted less than two weeks.

Canizares, C. R.↗

The 35-d X-ray profile of Her X-1

Results of an analysis of more than 500 days of Ariel 5 All-Sky Monitor data are reported which support the view that enhanced X-ray emission from Her X-1 occurs regularly in the source's 35-day cycle. The data analyzed show that the enhancement is centered at phase 0.55 (+ or - 0.05) relative to the maximum, has an intensity of at least one-fourth of the maximum, and has an apparent duration not exceeding 10% of the 35-day cycle. It is strongly suggested that the enhancement occurs in every cycle at about one-third of the maximum.

Holt, S. S.↗

X-ray spectra of Hercules X-1. 1: Iron line fluorescence from a subrelativistic shell

The X-ray spectrum of Hercules X-1 was observed in the energy range 2-24 keV from August 29 to September 3, 1975. A broad iron line feature is observed in the normal high state spectrum. The line equivalent width is given along with its full-width-half-maximum energy. Iron line fluorescence from an opaque, cool shell of material at the Alfven surface provides the necessary luminosity in this feature. The line energy width can be due to Doppler broadening if the shell is forced to corotate with the pulsar at a radius 800 million cm. Implications of this model regarding physical conditions near Her X-1 are discussed.

Pravdo, S. H.↗