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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The eROSITA Final Equatorial-Depth Survey (eFEDS)

Aims. The eROSITA Final Equatorial-Depth Survey (eFEDS), executed during the performance verification phase of the Spectrum-Roentgen-Gamma (SRG)/eROSITA telescope, was completed in November 2019. One of the science goals of this survey is to demonstrate the ability of eROSITA to detect samples of clusters and groups at the final depth of the eROSITA all-sky survey. Methods. Because of the sizeable (≈26" HEW FOV average) point-spread function of eROSITA, high-redshift clusters of galaxies or compact nearby groups hosting bright active galactic nuclei (AGN) can be misclassified as point sources by the source detection algorithms. A total of 346 galaxy clusters and groups in the redshift range of 0.1 < z < 1.3 were identified based on their red sequenc in the eFEDS point source catalog. Results. We examine the multiwavelength properties of these clusters and groups to understand the potential biases in our selection process and the completeness of the extent-selected sample. We find that the majority of the clusters and groups in the point source sample are indeed underluminous and compact compared to the extent-selected sample. Their faint X-ray emission, well below the flux limit of the extent-selected eFEDS clusters, and their compact X-ray emission are likely to be the main reason for this misclassification. In the sample, we confirm that 10% of the sources host AGN in their brightest cluster galaxies (BCGs) through optical spectroscopy and visual inspection. By studying their X-ray, optical, infrared, and radio properties, we establish a method for identifying clusters and groups that host AGN in their BCGs. We successfully test this method on the current point source catalog through the Sloan Digital Sky Survey optical spectroscopy and find eight low-mass clusters and groups with active radio-loud AGN that are particularly bright in the infrared. They include eFEDS J091437.8+024558, eFEDS J083520.1+012516, and eFEDS J092227.1+043339 at redshifts 0.3-0.4. Conclusions. This study helps us to characterize and understand our selection process and assess the completeness of the eROSITA extent-selected samples. The method we developed will be used to identify high-redshift clusters, AGN-dominated groups, and low-mass clusters that are misclassified in the future eROSITA all-sky survey point source catalogs.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

Science Instruments for the Advanced X-Ray Astrophysics Facility (AXAF)

The AXAF program has undergone major changes since the Announcement of Opportunity was extended by NASA Headquarters in 1983. The Science Instruments (SI's) for AXAF have also experienced several design changes since they were competitively selected in 1985. Moreover, two separate complementary missions are now being baselined for AXAF; one is designated AXAF-I for imaging and will include the high precision Wolter type I optics, and the other is called AXAF-S for spectroscopy. The resulting less-costly AXAF will still be superior to any previous x-ray observatories. Both missions continue to be managed. AXAF-I contains two focal plane SI's, the High Resolution Camera (HRC), and the AXAF Charge-Coupled Device (CCD) imaging spectrometer (ACIS), as well as the High-Energy Transmission Grating Spectrometer (HETGS) and the Low-Energy Transmission Grating Spectrometer (LETGS). Optics/Cryogenics Division (BECD). AXAF-S features only one focal plane SI, the X-Ray Spectrometer (XRS). The grazing incidence mirrors for this mission are mainly to provide a large collecting area and to concentrate these x-ray photons onto the XRS detector. Precise focusing, although preferred, is of secondary importance. Nested conical foil mirrors are currently baselined; however, replicated imaging optics are being evaluated for collecting efficiency and cost. AXAF-S is scheduled to be launched in late 1999. It has been designated as an MSFC in-house project. In addition to overall management, MSFC is fully responsible for the design, development, integration, and test of the complete AXAF-S observatory, including the XRS which will be furnished by the Goddard Space Flight Center (GSFC). Together, AXAF-I and AXAF-S constitute the third of NASA's series of Great Observatories, joining the Hubble space telescope (HST) and the Gamma-Ray Observatory (GRO) which are already operational. The develop- ment, launch, and operation of the Space InfraRed Telescope Facility (SIRTF) will follow later to complete the Great Observatory series. This paper summarizes the impact these changes have had on the SI's.

Carl E Winkler↗
DOE OSTI2026

CHICOX, a heavy-ion detection system for GRETA

The CHICOX detection system is an array of position sensitive parallel plate avalanche counters used for heavy ion detection in in-beam particle-gamma coincidence experiments. CHICOX, an upgrade of the CHICO2 array, is geometrically compatible with the GRETINA and GRETA gamma-ray arrays and provides an angular resolution sufficient to utilize the excellent position resolution of GRETINA/GRETA. CHICOX was successfully commissioned and fielded as an auxiliary detector to GRETINA in a campaign of stable-beam Coulomb excitation experiments at the ATLAS facility of Argonne National Laboratory. We report here on the design and in-beam performance of the CHICOX array.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Multiwavelength Observations of a New Redback Millisecond Pulsar 4FGL J1910.7-5320

We present the study of multiwavelength observations of an unidentified Fermi Large Area Telescope (LAT) source, 4FGL J1910.7-5320, a new candidate redback millisecond pulsar binary. In the 4FGL 95% error region of 4FGL J1910.7-5320, we find a possible binary with a 8.36 hr orbital period from the Catalina Real-Time Transient Survey, confirmed by optical spectroscopy using the SOAR telescope. This optical source was recently independently discovered as a redback pulsar by the TRAPUM project, confirming our prediction. We fit the optical spectral energy distributions of 4FGL J1910.7-5320 with a blackbody model, inferring a maximum distance of 4.1 kpc by assuming that the companion fills its Roche lobe with a radius of R = 0.7 R ⊙ . Using a 12.6 ks Chandra X-ray observation, we identified an X-ray counterpart for 4FGL J1910.7-5320, with a spectrum that can be described by an absorbed power law with a photon index of 1.0 ± 0.4. The spectrally hard X-ray emission shows tentative evidence for orbital variability. Using more than 12 yr of Fermi-LAT data, we refined the position of the γ-ray source, and the optical candidate still lies within the 68% positional error circle. In addition to 4FGL J1910.7-5320, we find a variable optical source with a periodic signal of 4.28 hr inside the 4FGL catalog 95% error region of another unidentified Fermi source, 4FGL J2029.5-4237. However, the γ-ray source does not have a significant X-ray counterpart in an 11.7 ks Chandra observation, with a 3σ flux upper limit of 2.4 × 10 -14 erg cm -2 s -1 (0.3–7 keV). Moreover, the optical source is outside our updated Fermi-LAT 95% error circle. These observational facts all suggest that this new redback millisecond pulsar powers the gamma-ray source 4FGL J1910.7-5320 while 4FGL J2029.5-4237 is unlikely the γ-ray counterpart to the 4.28 hr variable.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2017

Organic Matter in Extraterrestrial Water-Bearing Salt Crystals

Introduction: Direct samples of early Solar System fluids are present in two thermally-metamorphosed ordinary chondrite regolith breccias (Monahans (1998) [H5] and Zag [H3-6]), which were found to contain brine-bearing halite (NaCl) crystals that have been added to the regolith of an S-type asteroid following asteroidal metamorphism [1, 2]. The brine-bearing halite grains were proposed to be formed on an icy C-type asteroids (possibly Ceres), and transferred to an S-type asteroid via cryovolcanic event(s) [3]. A unique aspect of these halites is that they contain abundant organic rich solid inclusions hosted within the halites alongside the water inclusions. Methods: We analyzed in detail the compositions of the organic solids and the amino acid content of the halite crystals with two-step laser desorption/laser ionization mass spectrometry (L(sup 2) MS), Raman spectroscopy, X-ray absorption near edge structure (XANES), nanoscale secondary ion mass spectrometry (NanoSIMS), and ultra-performance liquid chromatography fluorescence detection and quadrupole time of flight hybrid mass spectrometry (UPLC-FD/QToF-MS). Results and Discussion: The L(sup 2) MS results show signatures of low-mass polyaromatic hydro-carbons (PAHs) indicated by sequences of peaks separated by 14 atomic mass units (amu) due to successive addition of methylene (CH2) groups to the PAH skeletons [4]. Raman spectra of the micron-sized solid inclusions of the halites indicate the presence of abundant and highly variable organic matter that include a mixture of short-chain aliphatic compounds and macromolecular carbon. C-XANES analysis identified C-rich areas with peaks at 285.0 eV (aromatic C=C) and 286.6 eV (vinyl-keto C=O). However, there is no 1s-sigma* exciton peak (291.7 eV) that is indicative of the development of graphene structure [5], which suggests the organics were synthesized cold. Na-noSIMS analyses show C-rich and N-rich areas that exhibit similar isotopic values with that of the IOM in the unweathered CR chondrites and less metamorphosed meteorites [6], and are moderately enriched in N-15 (delta N-15 = 106.1-164.5 per mille). The total amino acid distribution and abundance of the Zag matrix (approximately 1,940 parts per billion [ppb]) is comparable to other ordinary chondrites (60-3,330 ppb) [7, 8]. While the Zag matrix is gamma-ABA and EACA-deficient, the halite is shown to exhibit an opposite trend and is almost depleted in amino acids. The striking difference in the amino acid contents between the halite and matrix indicates their separate synthetic origins. Conclusion: Abundant, primitive, and highly-diverse N-15-rich organic compounds were detected in brine-water bearing halite crystals that were synthesized on a cryovolcanically-active asteroid. Our study suggests that the asteroidal parent body where the halite precipitated, potentially Ceres, is a host to abundance large variety organic precursors. Insoluble organic matter and amino acids can be synthesized from similar organic precusors under hydrous conditions [9].We envision that similar organic synthetic processes could have occurred on Ceres that synthesized organic solids as well as biologically relevant molecules.

Chan, Q. H. S.↗
DOE OSTI2021

The spectra of IceCube neutrino (SIN) candidate sources – II. Source characterization

ABSTRACT Eight years after the first detection of high-energy astrophysical neutrinos by IceCube, we are still almost clueless as regards to their origin, although the case for blazars being neutrino sources is getting stronger. After the first significant association at the $3\!-\!3.5\, \sigma$ level in time and space with IceCube neutrinos, i.e. the blazar TXS 0506+056 at z = 0.3365, some of us have in fact selected a unique sample of 47 blazars, out of which ∼16 could be associated with individual neutrino track events detected by IceCube. Building upon our recent spectroscopy work on these objects, here we characterize them to determine their real nature and check if they are different from the rest of the blazar population. For the first time we also present a systematic study of the frequency of masquerading BL Lacs, i.e. flat-spectrum radio quasars with their broad lines swamped by non-thermal jet emission, in a γ-ray- and IceCube-selected sample, finding a fraction >24 per cent and possibly as high as 80 per cent. In terms of their broad-band properties, our sources appear to be indistinguishable from the rest of the blazar population. We also discuss two theoretical scenarios for neutrino emission, one in which neutrinos are produced in interactions of protons with jet photons and one in which the target photons are from the broad-line region. Both scenarios can equally account for the neutrino–blazar correlation observed by some of us. Future observations with neutrino telescopes and X-ray satellites will test them out.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Confirming the absence of nuclear warheads via passive gamma-ray measurements

Arms-control agreements between the United States and Russia negotiated after the end of the Cold War have imposed limits on the number of deployed strategic nuclear weapons. Verification of these agreements has relied on onsite inspections, sometimes supported by radiation detection techniques to confirm the absence of a nuclear warhead when ambiguities arise. So far, these measurements have sought to detect neutron emissions associated with the presence of plutonium, but they would be inadequate for uranium devices. In an effort to offer instruments that could be used to confirm the absence of both plutonium and uranium weapons, here we propose an inspection system that uses only passive gamma radiation detection techniques. Such a system would be particularly valuable for next-generation arms-control agreements that limit total numbers of weapons and would involve containerized items in storage. We conducted extensive Monte Carlo simulations to support the development of a verification protocol and detection algorithm. Here, we demonstrate the viability of the technique using standard laboratory check sources and MCNP simulations for simplified configurations of special nuclear material.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2025

Thermal and kinematic properties of ejecta in SN1987A revealed by XRISM

We present an analysis of high-resolution spectra from the shock-heated plasmas in SN 1987A, based on an observation using the Resolve instrument onboard the X-Ray Imaging and Spectroscopy Mission (XRISM). The 1.7–10 keV Resolve spectra are accurately represented by a single-component, plane-parallel shock plasma model, with a temperature of $2.84_{-0.08}^{+0.09}$ keV and an ionization parameter of $2.64_{-0.45}^{+0.58}$ × $10^{11}\,\,{\rm s\,\, cm}^{-3}$. The Resolve spectra are also well reproduced by the 3D magneto-hydrodynamic simulation presented by Orlando et al. (2020, A&A, 636, A22) suggesting substantial contribution from the ejecta. The metal abundances obtained with Resolve align with the Large Magellanic Cloud value, indicating that the X-rays in 2024 originate from “non-metal-rich” shock-heated ejecta and the reverse shock has not reached the inner metal-rich region of ejecta. Doppler widths of the atomic lines from Si, S, and Fe correspond to velocities of 1500–1700 km s$^{-1}$, where the thermal broadening effects in this non-metal-rich plasma are negligible. Therefore, the line broadening seen in Resolve spectra is determined by the large bulk motion of ejecta. For reference, we determined a $90\%$ upper limit on non-thermal emission from a pulsar wind nebula at $4.3 \times 10^{-13}$ erg cm$^{-2}$ s$^{-1}$ in the 2–10 keV range, aligning with NuSTAR findings by Greco et al. (2022, ApJ, 931, 132). Additionally, we searched for the $^{44}$Sc K line feature and found a $1\sigma$ upper limit of $1.0 \times 10^{-6}$ photons cm$^{-2}$ s$^{-1}$, which translates to an initial $^{44}$Ti mass of approximately $2 \times 10^{-4}\, M_{\odot }$, consistent with previous X-ray to soft gamma-ray observations (Boggs et al. 2015, Science, 348, 670; Grebenev et al. 2012, Nature, 490, 373; Leising 2006, ApJ, 651, 1019).

ISM: supernova remnants↗
NASA NTRS2008

The EXIST Mission Concept Study

EXIST is a mission designed to find and study black holes (BHs) over a wide range of environments and masses, including: 1) BHs accreting from binary companions or dense molecular clouds throughout our Galaxy and the Local Group, 2) supermassive black holes (SMBHs) lying dormant in galaxies that reveal their existence by disrupting passing stars, and 3) SMBHs that are hidden from our view at lower energies due to obscuration by the gas that they accrete. 4) the birth of stellar mass BHs which is accompanied by long cosmic gamma-ray bursts (GRBs) which are seen several times a day and may be associated with the earliest stars to form in the Universe. EXIST will provide an order of magnitude increase in sensitivity and angular resolution as well as greater spectral resolution and bandwidth compared with earlier hard X-ray survey telescopes. With an onboard optical-infra red (IR) telescope, EXIST will measure the spectra and redshifts of GRBs and their utility as cosmological probes of the highest z universe and epoch of reionization. The mission would retain its primary goal of being the Black Hole Finder Probe in the Beyond Einstein Program. However, the new design for EXIST proposed to be studied here represents a significant advance from its previous incarnation as presented to BEPAC. The mission is now less than half the total mass, would be launched on the smallest EELV available (Atlas V-401) for a Medium Class mission, and most importantly includes a two-telescope complement that is ideally suited for the study of both obscured and very distant BHs. EXIST retains its very wide field hard X-ray imaging High Energy Telescope (HET) as the primary instrument, now with improved angular and spectral resolution, and in a more compact payload that allows occasional rapid slews for immediate optical/IR imaging and spectra of GRBs and AGN as well as enhanced hard X-ray spectra and timing with pointed observations. The mission would conduct a 2 year full sky survey in scanning mode, interrupted for several orbits per day by GRB follow-ups, followed by a combined pointing-scanning mission phase for optical/IR spectroscopy and redshifts for the large AGN sample found in the survey as well as GRBs and LSST transients. A Team of university, NASA, and industry investigators will conduct the study to determine the full sensitivity and capabilities of this new configuration for EXIST. It will build on the extensive studies of the prior design for the mission and the HET and will incorporate the optical/IR telescope (hereafter IRT) now fully developed by our ITT partner for the NextView Commercial Remote Sensing mission (early 2008 launch) with a focal plane to be developed at GSFC based in part on JWST/NIRSPEC designs. No new technology is needed for either the IRT or HET instruments. The study will pay close attention to full mission cost and present a design for the Decadal Survey Workshop to ensure this even more capable EXIST mission is once again part of the next Decadal Survey.

Fishman, Gerald J.↗
NASA NTRS1994

Searching for hard X-ray directivity during the rise, peak, and decay phases of solar flares

We have identified 72 large solar flares (peak counting rates more than 1000 counts/s) observed by Hard X-ray Burst Spectroscopy (HXRBS) on-board the Solar Maximum Mission (SMM). Using a database of these flares, we have studied hard X-ray (50-850 keV) spectral center-to-limb variation and its evolution with time. The major results are the following: (1) During the rise phase, the center-to-limb spectral variation is small, with a hardness of delta delta = 0.02 +/- 0.25, and a statistical significance of 0.1 sigma. (2) During the peak phase, the center-to-limb variation is delta delta = 0.13 +/- 0.13, with a statistical significance of 1 sigma. (3) During the decay phase, the center-to-limb variation changes to softening. The softness is relatively large with delta delta = -0.25 +/- 0.21, and a statistical significance of 1.2 sigma. (4) The linear least-squares fits to the spectral center-to-limb variations do not have slopes significantly different from zero during all those three phases. (5) The center events and limb events spectral distributions are shown to be not different by using Kolmogorov-Smirnov two-samples test. (6) The fraction of events detected near the limb is marginally consistent with that expected from isotropically emitting flares. (7) On average, flares evolve as soft-hard-soft. These results suggest that there is no statistically significant evidence for hard X-ray directivity during the rise, peak, and decay phases of solar flares. The hard X-ray radiation pattern at those energies is almost isotropic during all those phases. This lack of directivity (or anisotropy) found in this study is not in agreement with the results discovered by Vestrand et al. (1987) in which they found energetic photon source is anisotropic, using SMM Gamma-Ray Spectrometer (GRS) data at a much higher energy band of 0.3-1 MeV. If we want to interpret the results of Vestrand et al. (1987) and our present results in a self-consistent way, we must conclude that at energies of greater than 50 keV, the Compton backscattering suppresses the hard X-ray anisotropy sufficiently so that no significant directivity can be measured during the rise, peak, and decay phases of solar flares. during the rise, peak, and decay phases of solar flares.

Li, Peng↗
DOE OSTI2023

The spectra of IceCube Neutrino (SIN) candidate sources – III. Optical spectroscopy and source characterization of the full sample

A correlation between astrophysical high-energy neutrinos and blazars has been suggested by various authors. In particular, a likely association between IceCube events and intermediate- and high-energy peaked BL Lac objects has led to a sample of 47 objects having a high probability of being neutrino sources. In the first paper of this series we reported optical spectroscopy of 17 objects, which together with data taken from the literature covered 80 per cent of the sample. Here, we present spectroscopy obtained at large aperture telescopes of a further 17 objects (plus four additional targets), which completes the sample coverage. For 12 objects we are able to determine the redshift (0.07 < z < 1.6), while for the others we set a lower limit on it, based on either the robust detection of intervening absorption systems or on an estimation derived from the absence of spectral signatures of the host galaxy. With these new data we expand and reinforce the main results of our previous papers, namely the fact that in terms of their broad-band properties our sources appear to be indistinguishable from the rest of the blazar population and the relatively large (>34 per cent and possibly as high as 80 per cent) fraction of masquerading BL Lac objects, for which the low equivalent width of the emission lines is due to the brightness of the boosted continuum, rather than being an intrinsic property, in our sample.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

First Examination of Irradiated Fuel with Pulsed Neutrons at LANSCE (Preliminary Results)

We present preliminary results on the characterization of an irradiated U-lOZr-lPd fuel sample that was prepared from the irradiated AFC-3A-R5A sample. U-lOZr metallic fuels are researched as host materials for potential transmutation fuels and the addition of palladium strives to bind lanthanides, thus preventing fuel-cladding chemical interactions (FCCI). These interactions limit the lifetime of metallic fuels and are caused by migration of lanthanide fission products to the periphery of the fuel slug, where they start to interact with the D9 or HT9 steel cladding, ultimately leading to failure of the mechanical integrity of the cladding. Neutrons offer bulk characterization of irradiated materials for which X-ray tomography methods are not suitable due to the immense gamma background emitted from the samples. In particular pulsed neutrons provide information from the ability to resolve the neutron energy using their time-of-flight and thus the potential to utilize neutron absorption resonance to characterize the spatial distribution of isotopes. This, in turn, may allow to characterize the distribution of fission and neutron capture products non-destructively and may ultimately be applied to the bulk of an irradiation capsule prior to destructive post-irradiation examination to identify regions of interest. To allow the characterization of entire irradiation capsules, a cask is under development in the advanced post-irradiation work package at LANL and progress on this development was reported elsewhere. In parallel, an irradiated U-lOZr-lPd sample cut from the AFC-3AR5A irradiation was shipped to LANL and will be fully characterized with an NSUF funded rapid turnaround experiment (RTE) in the 2020 LANSCE run cycle. The sample emits at a dose rate of ~3R/hr on contact and is therefore manageable with remote handling, without requiring a cask. The disk-shaped material is larger than samples prepared for analysis using electron or X-ray methods and is therefore an intermediate step towards characterization of bulk samples at LANSCE. However, since it covers the full diameter of the irradiated fuel slug, some insight on redistribution of elements, spatially resolved information on microstructure, e.g. phase composition and texture, will be possible using the pulsed neutron-based methods developed for fuel characterization at LANSCE. This report describes the development of procedures to handle the sample at LANSCE as well as preliminary data and results from tests conducted in December 2019 on the energy-resolved neutron imaging (ERNI) beam line at flight path 5 and the high pressure-preferred orientation diffractometer (HIPPO) at LANSCE. This effort is a collaboration between LANL, INL, and ORNL. To compare our capabilities with prior work, we present an overview of previously reported bulk characterization of irradiated or spent fuels. The overview addresses neutron diffraction and neutron absorption resonance spectroscopy, both of which have only few reported applications on irradiated or spent nuclear fuel, as well as neutron radiography. This literature review was already described in a previous report but is repeated here to put our current efforts in context of previous work.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Programmable Phase Selection between Altermagnetic and Noncentrosymmetric Polymorphs of MnTe on InP via Molecular Beam Epitaxy

This dataset contains DFT input and output files supporting the theoretical modeling in the associated publication (ACS Appl. Mater. Interfaces 2026, 18, 15654-15664). The calculations model the interfacial energetics of two MnTe polymorphs — NiAs-MnTe (hexagonal, alpha phase) and ZnS-MnTe (cubic, gamma phase) — on InP(111) substrates with two surface terminations: In-terminated InP(111)A and P-terminated InP(111)B. This gives four interface configurations: NiAs on In-terminated (experimentally observed), NiAs on P-terminated (computed for comparison), ZnS on In-terminated (computed for comparison), and ZnS on P-terminated (experimentally observed). The dataset is organized into four calculation types, each covering all four polymorph/termination combinations: (i) Slabs: Pristine MnTe/InP heterostructure slabs used to compute total energies and interface energy densities (Eint) for all four configurations, as reported in Fig. 6 of the main text. (ii) Disorder: Same slab geometries with a P_Te + Te_P antisite defect pair introduced near the interface, used to assess chemical intermixing effects on interface stability (Fig. S8, SI). (iii) Strain: Pristine slab calculations with in-plane lattice parameters strained by -1% and +1% relative to the InP lattice constant, used to evaluate strain-dependent interface energetics (Fig. S9, SI). (iv) Charge_Density: Single-point calculations on the full heterostructure, the isolated InP slab, and the isolated MnTe slab at fixed geometry, used to compute differential charge density plots showing interfacial charge accumulation and depletion as a function of surface termination (Fig. S10, SI). Each calculation folder contains INCAR, KPOINTS, POSCAR, CONTCAR, OUTCAR, and POTCAR_info.txt (PAW potential information, excluding the full POTCAR due to VASP licensing restrictions). The calculations were performed using VASP 6.4.3 with PBE exchange-correlation, PAW potentials, a Hubbard correction of Ueff = 5 eV on Mn d-states, and A-type AFM spin initialization.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mg and Al-induced phase transformation and stabilization of Ga 2 O 3 -based $\gamma$-phase spinels

Ga 2 O 3 films were deposited on (100) MgAl 2 O 4 spinel substrates at 550, 650, 750, and 850 °C using metal-organic chemical vapor deposition and investigated using x-ray diffraction and transmission electron microscopy. A phase-pure γ-Ga 2 O 3 -based material having an inverse spinel structure was formed at 850 °C; a mixture of the γ-phase and β-Ga 2 O 3 was detected in films grown at 750 °C. Only β-Ga 2 O 3 was determined in the films deposited at 650 and 550 °C. A β- to γ-phase transition occurred from the substrate/film interface during growth at 750 °C. The growth and stabilization of the γ-phase at the outset of film growth at 850 °C was affected by the substantial Mg and Al chemical interdiffusion from the MgAl 2 O 4 substrate observed in the energy-dispersive x-ray spectrum. Further, atomic-scale investigations via scanning transmission electron microscopy of the films grown at 750 and 850 °C revealed a strong tetrahedral site preference for Ga and an octahedral site preference for Mg and Al. It is postulated that the occupation of these atoms in these particular sites drives the β-Ga 2 O 3 to γ-phase transition and markedly enhances the thermal stability of the latter phase at elevated temperatures.

42 ENGINEERING↗
DOE OSTI2026

Structure of high-lying excited states in 47 Ca with ℓ ≥ 3 populated in fast-beam 𝛾-ray-tagged one-neutron pickup reactions

Located just one neutron removed from doubly magic, stable 48 Ca, the adjacent isotope 47 Ca has been studied extensively with neutron-removing transfer reactions and interpreted within a shell-model picture. Neutron-adding transfer reactions onto the stable 46 Ca, however, have not been performed in nearly 60 years and never with the aid of high-resolution 𝛾-ray spectroscopy. Here, we report on the 12 C⁡( 46 , Ca 47 Ca+𝛾)⁢𝑋 one-neutron pickup reaction from 12 C onto 46 Ca at more than 50 MeV/nucleon, a regime of orbital angular momentum mismatch that selectively populates 47 Ca final states based on ℓ ≥ 3 neutron configurations. Newly observed excited states and 𝛾-ray transitions are discussed in comparison to 𝑓⁡𝑝 shell-model calculations in a variety of configuration spaces. Furthermore, it is shown that the nature of the observed spectrum of final states can be well interpreted, albeit with a significant fragmentation of the 𝜈⁢0⁢𝑓 5/2 strength observed in the measurement that is not borne out in the structure calculations.

39 ≤ A ≤ 58↗
DOE OSTI2025

Plasmonic Ag nanocomposite phosphate glasses produced via γ-ray irradiation as reduction route

This paper reports on the impact of γ-ray irradiation (10, 100 kGy) on melt-quenched Ag + -doped phosphate glass and the effects of subsequent thermal processing leading to the production of plasmonic Ag nanocomposites. The γ-irradiated glasses were characterized alongside the pristine by differential scanning calorimetry (DSC), Raman spectroscopy, electron paramagnetic resonance (EPR) spectroscopy, optical absorption, and photoluminescence (PL) spectroscopy. DSC characterization showed consistent glass transition temperatures (T g ) before and after γ-irradiation whereas the crystallization temperatures tended to decrease with increasing γ-ray dose. However, a lack of alteration of the glass network structure was supported by Raman spectroscopy. Room temperature EPR spectra clearly showed the formation of phosphorus oxygen hole center (POHC) defects in the undoped host, in addition to another doublet likely associated with a P 3 defect. The presence of paramagnetic silver species encompassing Ag 2+ and 107/109 Ag 0 atoms was also indicated in the silver-activated glass together with POHC defects. Optical absorption spectra were also consistent with the presence of various radiation-induced centers. Further analyzing the glass absorption edge via Tauc plots suggested the formation of electron center (EC) defects in γ-irradiated samples wherein the silver-doped glass exhibited decreasing band gap energies with increasing γ-ray dose. The PL characterization showed the silver-related radio-PL effect was induced exhibiting broad band emission with two maxima around 500 and 625 nm stemming from various molecular Ag$^{x+}_{n}$ clusters. Emission decay analyses revealed that the longer wavelength emission exhibited slower decay. The highest radiation dose of 100 kGy however resulted in weaker emission and faster decay kinetics attributed to energy transfer between the luminescent silver species and POHC defects. Finally subjecting the γ-irradiated Ag-doped glasses to heat treatment near the T g at 490 °C led to the development of the surface plasmon resonance of Ag nanoparticles (NPs) and the vanishing of the Ag$^{x+}_{n}$ clusters luminescence. In conclusion, the presence of the matrix-related EC defects was deemed accountable for the thermally induced reduction and consequent precipitation of Ag NPs making the plasmonic glasses attractive for photonic applications such as nonlinear optics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Improved light yield and growth of large-volume ultrafast single crystal scintillators Cs 2 ZnCl 4 and Cs 3 ZnCl 5

Due to their reported fast decay times, Cs 2 ZnCl 4 and Cs 3 ZnCl 5 are promising candidates for detection of gamma rays and X-rays in high count rate and fast timing applications. In this work, we show that single crystals with better optical quality than previously demonstrated – and larger in size – can be grown via the vertical Bridgman method. Highly transparent Ø7 mm crystals of undoped Cs 2 ZnCl 4 and Cs 3 ZnCl 5 are grown and measured to have light yields surpassing those previously reported, achieving 1980 ± 100 ph/MeV and 1460 ± 70 ph/MeV at 662 keV – a 55% and 232% improvement, respectively. We observe single-component scintillation decay times for both Cs 2 ZnCl 4 (1.66 ns) and Cs 3 ZnCl 5 (0.82 ns) and radioluminescence emission with maximum intensity at ~290 nm. Scalability of these materials is also evaluated based on growth of Ø22 mm crystals. Minimal cracking is observed, and the fast decay times are maintained at this size. Coincidence time resolution of 3 × 3 × 5 mm 3 and 7 × 7 × 10 mm 3 pixels cut from Ø22 mm Cs 2 ZnCl 4 are measured to be 148 ± 1 ps FWHM and 175 ± 1 ps FWHM, respectively. Here, the improved performance and ability to be fabricated in large sizes now place Cs 2 ZnCl 4 and Cs 3 ZnCl 5 on the map as potential contenders for radiation detection applications where BaF 2 – the most commonly used ultrafast inorganic scintillator – is typically considered.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Verification of Special Nuclear Material (SNM) using Active Well Coincidence Counter (AWCC) and a High Purity Germanium (HPGe) Detector

SNM verification can be accomplished via two methods i.e. destructive analysis (DA) or nondestructive analysis (NDA). The DA modes are much more accurate compared to NDA modes; nevertheless, the sample's physical integrity is destroyed in the process. Techniques such as ICP-MS, ID-ICP-MS, TI-MS are few examples of DA, where a bulk material is ground and mixed with a solution (some form of acid) to acquire a homogenous sample. In contrast, NDA modes utilize signals emitted by the sample such as gamma, neutrons, light, or heat to analyze samples under investigation. HPGe detectors are some of the most frequently used gamma detectors to assay SNM. However, in a high activity scenario it provides a large uncertainty and sometimes becomes unfeasible to measure low energy gamma rays. Meanwhile, neutron detectors are not affected by the gamma background, therefore they can be used in addition to the gamma detectors to verify total fissile mass ({sup 235}U + {sup 239}Pu) of SNM. The AWCC is one of the thermal neutron NDA systems developed at the Los Alamos National Laboratory (LANL). It consists of 42 {sup 3}He detectors to measure gross neutrons (singles), coincidence neutrons (doubles), higher order multiplicity counting (triples, quadruples, etc.). It can effectively operate in both active and passive neutron interrogation modes. It can utilize AmLi, AmBe, or {sup 252}Cf active interrogation neutron sources. It is used to verify declared fissile mass ({sup 235}U or {sup 239}Pu) present in SNM. Objectives: Calibrate HPGe and AWCC for lightly irradiated (with enough {sup 137}Cs gamma background) ∼93% enriched HEU fuels; Verify fissile mass ({sup 235}U +{sup 239}Pu) content using AWCC and HPGe; Model and benchmark AWCC in MCNP6. Neutron coincidence and multiplicity counting: Two or more neutrons are coincident if they are detected by the system within the specified gate window; In AWCC: Gate window is 128 μsec; Induced fission in fissile material such as {sup 235}U and {sup 239}Pu - emission of time correlated neutrons - Singles, Doubles, Triples, or Quadruples; No induced fission in non-fissile materials- no correlated neutrons - only singles. SNM can be verified with high accuracy and precision using gamma and neutron NDA instruments such as HPGe and AWCC. Interaction with thermal neutrons. Non-fissile atoms - do not emit correlated neutrons. Fissile atoms - emit correlated neutrons during induced fission events. The time correlated neutrons can be detected by using coincidence or multiplicity counters such as AWCC. Likewise, {sup 235}U produces 186 keV gamma peak that can be measured by a HPGe gamma detector. Counts under 186 keV gamma peak provide information about {sup 235}U content. Combining AWCC and HPGe results can provide better understanding of special nuclear material under investigation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗