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NASA NTRS2008

Adsorption of Water on JSC-1A Lunar Simulant Samples

Remote sensing probes sent to the moon in the 1990s indicated that water may exist in areas such as the bottoms of deep, permanently shadowed craters at the lunar poles, buried under regolith. Water is of paramount importance for any lunar exploration and colonization project which would require self-sustainable systems. Therefore, investigating the interaction of water with lunar regolith is pertinent to future exploration. The lunar environment can be approximated in ultra-high vacuum systems such as those used in thermal desorption spectroscopy (TDS). Questions about water dissociation, surface wetting, degree of crystallization, details of water-ice transitions, and cluster formation kinetics can be addressed by TDS. Lunar regolith specimens collected during the Apollo missions are still available though precious, so testing with simulant is required before applying to use lunar regolith samples. Hence, we used for these studies JSC-1a, mostly an aluminosilicate glass and basaltic material containing substantial amounts of plagioclase, some olivine and traces of other minerals. Objectives of this project include: 1) Manufacturing samples using as little raw material as possible, allowing the use of surface chemistry and kinetics tools to determine the feasibility of parallel studies on regolith, and 2) Characterizing the adsorption kinetics of water on the regolith simulant. This has implications for the probability of finding water on the moon and, if present, for recovery techniques. For condensed water films, complex TDS data were obtained containing multiple features, which are related to subtle rearrangements of the water adlayer. Results from JSC-1a TDS studies indicate: 1) Water dissociation on JSC-1a at low exposures, with features detected at temperatures as high as 450 K and 2) The formation of 3D water clusters and a rather porous condensed water film. It appears plausible that the sub- m sized particles act as nucleation centers.

Goering, John↗

DOE OSTI2020

K-means-driven Gaussian Process data collection for angle-resolved photoemission spectroscopy

Abstract We propose the combination of k-means clustering with Gaussian Process (GP) regression in the analysis and exploration of 4D angle-resolved photoemission spectroscopy (ARPES) data. Using cluster labels as the driving metric on which the GP is trained, this method allows us to reconstruct the experimental phase diagram from as low as 12% of the original dataset size. In addition to the phase diagram, the GP is able to reconstruct spectra in energy-momentum space from this minimal set of data points. These findings suggest that this methodology can be used to improve the efficiency of ARPES data collection strategies for unknown samples. The practical feasibility of implementing this technology at a synchrotron beamline and the overall efficiency implications of this method are discussed with a view on enabling the collection of more samples or rapid identification of regions of interest.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS2018

A Deep X-Ray Look at Abell 2142-Viscosity Constraints from Kelvin-Helmholtz Eddies, a Displaced Cool Peak that Makes a Warm Core, and A Possible Plasma Depletion Layer

cold fronts in detail. We find that the southern cold front exhibits well-developed Kelvin–Helmholtz (KH) eddies seen in the sky plane. Comparing their wavelength and amplitude with those in hydrodynamic simulations of cold fronts in viscous gas, and estimating the gas tangential velocity from centripetal acceleration, we constrain the effective viscosity to be at most 1/5 of Spitzer isotropic viscosity, but consistent with full Braginskii anisotropic viscosity for magnetized plasma. While the northwestern front does not show obvious eddies, its shape and the structure of its brightness profile suggest KH eddies seen in projection. The southern cold front continues in a spiral to the center of the cluster, ending with another cold front only 12 kpc from the gas density peak. The cool peak itself is displaced ∼30 kpc from the brightest cluster galaxy (BCG) (the biggest such offset among centrally peaked clusters), while the X-ray emission on a larger scale is still centered on the BCG, indicating that the BCG is at the center of the gravitational potential and the cool gas is sloshing in it. The specific entropy index of the gas in the peak (K≈49 keV sq.cm) makes A2142 a rare “warm core”; apparently the large displacement of the cool peak by sloshing is the reason. Finally, we find a subtle narrow, straight channel with a 10% drop in X-ray brightness, aligned with the southern cold front—possibly a plasma depletion layer in projection.

Wang, Qian H. S.↗

DOE OSTI2020

The Architecture of Metabolism Maximizes Biosynthetic Diversity in the Largest Class of Fungi

Abstract Ecological diversity in fungi is largely defined by metabolic traits, including the ability to produce secondary or “specialized” metabolites (SMs) that mediate interactions with other organisms. Fungal SM pathways are frequently encoded in biosynthetic gene clusters (BGCs), which facilitate the identification and characterization of metabolic pathways. Variation in BGC composition reflects the diversity of their SM products. Recent studies have documented surprising diversity of BGC repertoires among isolates of the same fungal species, yet little is known about how this population-level variation is inherited across macroevolutionary timescales. Here, we applied a novel linkage-based algorithm to reveal previously unexplored dimensions of diversity in BGC composition, distribution, and repertoire across 101 species of Dothideomycetes, which are considered the most phylogenetically diverse class of fungi and known to produce many SMs. We predicted both complementary and overlapping sets of clustered genes compared with existing methods and identified novel gene pairs that associate with known secondary metabolite genes. We found that variation among sets of BGCs in individual genomes is due to nonoverlapping BGC combinations and that several BGCs have biased ecological distributions, consistent with niche-specific selection. We observed that total BGC diversity scales linearly with increasing repertoire size, suggesting that secondary metabolites have little structural redundancy in individual fungi. We project that there is substantial unsampled BGC diversity across specific families of Dothideomycetes, which will provide a roadmap for future sampling efforts. Our approach and findings lend new insight into how BGC diversity is generated and maintained across an entire fungal taxonomic class.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

In situ study on medium-range order evolution during the polyamorphous phase transition in a Pd-Ni-P nanostructured glass

Engineering multiscale structural hierarchies in glassy alloys enable a broad spectrum of potential applications. Metallic glasses were born in hierarchical structures from atomic-to-nanometer scales. However, the frozen-in structures in traditional metallic glasses prepared by rapid quenching techniques are challenging to tailor. Here, we show that a Pd 40 Ni 40 P 20 bulk nanostructured glass of polyamorphous interfacial structures was prepared by inert-gas condensation with a laser evaporation source, and its multiscale structures could be engineered. In-situ scattering experiment results reveal polyamorphous phase transitions occurred in the interfacial regions, which are accompanied by the evolution of medium-range order and the nanoscale heterogeneous structures during the condensation process of glassy nanoparticles under high pressure and the following heating process. Moreover, changes in the cluster connectivity resulting from repacking of the local ordering induced by pressure and temperature could be observed. The thermophysical and mechanical properties, including boson peaks, hardness, and elasticity modulus, could be changed as a function of heat-treatment parameters. In conclusion, our findings would shed light on the synthesis of bulk nanostructured glassy alloys with tailorable thermodynamic and dynamical behavior as well as mechanical properties based on the understanding of metastability for polyamorphous interfacial phases.

36 MATERIALS SCIENCE↗

DOE OSTI2021

First-principles calculations for understanding microstructures and mechanical properties of co-sputtered Al alloys

Recent experimental studies show that co-sputtering solutes with Al, together, can refine columnar grain size around few tens of nanometers and promote the formation and enhance the stability of planar defects such as stacking faults (SFs) and grain boundaries (GBs) in Al alloys. These crystal defects and fine columnar grains result in high strength, enhanced strain hardening and thermal stability of Al alloys. Using first-principles density-functional theory (DFT) calculations, we studied the role of eleven solutes in tailoring kinetics and energetics of adatoms and clusters on Al {111} surface, stable and unstable stacking fault energies, and kinetic energy barriers for the migration of defects. The calculations show that most solutes can effectively refine columnar grain size by decreasing the diffusivity of adatoms and surface clusters. These solutes do not necessarily decrease the stacking fault energy of Al alloys, but reduce the formation energy of faulted surface clusters and increase the energy barriers for the recovery of faulted surface clusters. Correspondingly, the formation of SFs is kinetically promoted during sputtering. Furthermore, solutes are segregated into the core of Shockley partial dislocations and play a pinning effect on SFs, SF arrays and twin boundaries, enhancing the thermal stability of these crystal defects. These findings provide insights into the design of high-strength Al alloys for high-temperature applications.

36 MATERIALS SCIENCE↗

DOE OSTI2024

S-adenosyl-L-methionine is the unexpected methyl donor for the methylation of mercury by the membrane-associated HgcAB complex

Mercury (Hg) is a heavy metal that exhibits high biological toxicity. Monomethylmercury and dimethylmercury are neurotoxins and a significant environmental concern as they bioaccumulate and biomagnify within the aquatic food web. Microbial Hg methylation involves two proteins, HgcA and HgcB. Here, we show that HgcA and HgcB can be heterologously coexpressed, and the HgcAB complex can be purified. We demonstrated that HgcA is a membrane-associated cobalamin-dependent methyltransferase and HgcB is a ferredoxin-like protein containing two [4Fe-4S] clusters. Further, spectroscopic and kinetic results demonstrate that S-adenosyl-L-methionine (SAM) donates the methyl group to Hg in a two-step reaction involving a methylcob(III)alamin intermediate including Co-thiolate ligation from a conserved Cys residue. Our findings uncover a biological role for SAM in microbial Hg methylation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Accuracy of power spectra in dissipationless cosmological simulations

Abstract We exploit a suite of large N-body simulations (up to N = 40963) performed with abacus, of scale-free models with a range of spectral indices n, to better understand and quantify convergence of the matter power spectrum. Using self-similarity to identify converged regions, we show that the maximal wavenumber resolved at a given level of accuracy increases monotonically as a function of time. At 1 per cent level it starts at early times from a fraction of $k_\Lambda$, the Nyquist wavenumber of the initial grid, and reaches at most, if the force softening is sufficiently small, ${\sim}2{-}3 k_\Lambda$ at the very latest times we evolve to. At the $5{{\ \rm per\ cent}}$ level, accuracy extends up to wavenumbers of order $5k_\Lambda$ at late times. Expressed as a suitable function of the scale-factor, accuracy shows a very simple n-dependence, allowing a extrapolation to place conservative bounds on the accuracy of N-body simulations of non-scale-free models like LCDM. We note that deviations due to discretization in the converged range are not well modelled by shot noise, and subtracting it in fact degrades accuracy. Quantitatively our findings are broadly in line with the conservative assumptions about resolution adopted by recent studies using large cosmological simulations (e.g. Euclid Flagship) aiming to constrain the mildly non-linear regime. On the other hand, we remark that conclusions about small-scale clustering (e.g. concerning the validity of stable clustering) obtained using PS data at wavenumbers larger than a few $k_\Lambda$ may need revision in light of our convergence analysis.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Dark matter substructure or source model systematics? A case study of cluster lens Abell S1063

Mapping the small-scale structure of the universe through gravitational lensing is a promising tool for probing the particle nature of dark matter. Curved Arc Basis (CAB) has been proposed as a local lensing formalism in galaxy clusters, with the potential to detect low-mass dark matter substructure. In this work, we analyse the cluster lens Abell S1063 in search of dark matter substructure with the CAB formalism, using multiband imaging data from James Webb Space Telescope ( JWST ). We use two different source modelling methods: shapelets and pixel-based source reconstruction based on Delaunay triangulation. We find that source modelling systematics from shapelets result in a disagreement between CAB parameters measured from different filters. Source modelling with Delaunay significantly alleviates this systematic, as seen in the improvement in agreement across filters. We also find that inadequate complexity in source modelling can result in convincing spurious detections of dark matter substructure from strong gravitational lenses, as seen by our $\Delta \text{BIC} > 20$ measurement of a $M \sim 10^{10}$ ${\rm M}_{\odot }$ subhalo with shapelets, a spurious detection that is not reproduced with Delaunay source modelling. We demonstrate that multiband analysis with different JWST filters is key for disentangling source and lens model systematics from dark matter substructure detections.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

From hard spheres to hard-core spins

A system of hard spheres exhibits physics that is controlled only by their density. This comes about because the interaction energy is either infinite or zero, so all allowed configurations have exactly the same energy. The low-density phase is liquid, while the high-density phase is crystalline, an example of “order by disorder” as it is driven purely by entropic considerations. Here we study a family of hard spin models, which we call hard-core spin models, where we replace the translational degrees of freedom of hard spheres with the orientational degrees of freedom of lattice spins. Their hard-core interaction serves analogously to divide configurations of the many spin system into allowed and disallowed sectors. We present detailed results on the square lattice in d = 2 for a set of models with $\mathbb{Z}_n$ symmetry, which generalize Potts models, and their U(1) limits, for ferromagnetic and antiferromagnetic senses of the interaction, which we refer to as exclusion and inclusion models. As the exclusion and inclusion angles are varied, we find a Kosterlitz-Thouless phase transition between a disordered phase and an ordered phase with quasi-long-ranged order, which is the form order by disorder takes in these systems. These results follow from a set of height representations, an ergodic cluster algorithm, and transfer matrix calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Ab initio calculations for void swelling bias in α - and δ -plutonium

Void swelling can develop in materials under persistent irradiation when nonequilibrium vacancy and self-interstitial populations migrate under sufficiently asymmetric interaction biases. In conventional metals, the propensity is determined to the first approximation by comparing point-defect relaxation strains. We thus present DFT-based calculations of structures and formation energies and volumes of point defects in the α and the δ phases of plutonium. Here we discuss the pros and cons of various levels of electronic structure theory: spin polarization, spin-orbit coupling, and orbital polarization. Our results show that lattice defects in δ-Pu, in contrast to most fcc metals, have surprisingly small formation volumes. Equally unexpected are the large defect formation volumes found in the low-symmetry α-Pu phase. Both these unusual properties can be satisfactorily explained from defect-induced spin/orbital moment formation and destruction in the Pu phases. Surprisingly, the point defects in α-Pu are found to induce far larger transformation of the local electronic structure than in δ-Pu. When we use the calculated defect properties to estimate the classic void swelling bias in each of the phases, we find it to be unusually small in δ-Pu but likely much larger in α-Pu. Hence, swelling rates and mechanisms can diverge dramatically between the different phases of Pu. Especially in the transient regime before the formation of large defect clusters, the swelling rate of α-Pu can reliably be expected to be much larger than δ-Pu. However, accurate forecasts over longer times will require the conventional void-swelling theory to be modified to handle the complexities presented by the different Pu phases. As a case in point, we show the possible anomalous temperature dependence of vacancy properties in δ-Pu, caused by entropic contributions from defect-induced spin-lattice fluctuations. Such complications may affect defect-defect interactions and thus alter the void swelling bias.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Augmented Human Analysis (AHA)

Radio frequency (RF) signal monitoring generally emphasizes intentionally generated signals, such as WiFi, Bluetooth, or cellular transmissions. However, electronic devices also produce unintended radiated emissions (UREs), which could also be useful in RF spectrum analysis. In either case, deriving intelligence from RF signals is typically a human-intensive process requiring significant domain knowledge. In the Augmented Human Analysis (AHA) project, we investigate the utility of dimensionally aligned signal projection (DASP) and machine learning (ML) algorithms for accelerating RF analysis workflows. We find that while DASP algorithms can indeed highlight signal characteristics relevant for classification tasks, the choice of algorithmic hyperparameters greatly affects performance. To address this challenge, we evaluate the quality of DASP outputs using the silhouette score, which measures how well data points cluster; high silhouette scores indicate good clustering, and thus good hyperparameter values. This approach is critical for machine learning pipelines as the DASP parameters cannot be directly optimized during model training. By identifying good DASP parameters, and thus good DASP outputs, as a preprocessing step, we can decrease the amount of effort required for downstream ML model training. We demonstrate our workflow using a dataset of UREs from common household devices, showing that even without the aid of ML, proper selection of DASP parameters enables clustering by device type.

42 ENGINEERING↗

NASA NTRS1994

The effect of repeating gamma-ray bursts on V/V(sub max)

I consider the effect of repeating burst sources on the the mean value of V/V(sub max) statistic. I find that if the burst sources are distributed homogeneously in a d-dimensional space, the mean value of V/V(sub max) converges to d/(d+3) as long as the luminosity function is dependent of position. Choosing the brightest event from a cluster of k events shifts the luminosity function to higher luminosities, but if the original luminosity function is position independent, it remains so. Therefore the treatment of repeating events, if applied consistently, will not affect the effectiveness the mean value of V/V(sub max) as a test of burst homogeneity. The calculation of the mean value of V/V(sub max) for apparent repeating and non-repeating source populations will be raised by the incorrect classification of faint bursts. In conclusion, the current practice of calculating the mean value of V/V(sub max) using all bursts, even apparent repeaters, and treating multispike bursts as single bursts, is valid and consistent.

Band, David L.↗

NASA NTRS1996

Astrometric Detection of Extrasolar Planets: Results of a Feasibility Study with the Palomar 5 Meter Telescope

The detection of extrasolar planets around stars like the Sun remains an important goal of astronomy. We present results from Palomar 5 m observations of the open cluster NGC 2420 in which we measure some of the sources of noise that will be present in an astrometric search for extrasolar planets. This is the first time that such a large aperture has been used for high-precision astrometry. We find that the atmospheric noise is 150 micro-arcsec hr(exp 1/2) across a 90 sec field of view and that differential chromatic refraction (DCR) can be calibrated to 128 micro-arcsec for observations within 1 hr of the meridian and 45 deg of zenith. These results confirm that a model for astrometric measurements can be extrapolated to large apertures. We demonstrate, based upon these results, that a large telescope achieves the sensitivity required to perform a statistically significant search for extra solar planets. We describe an astrometric technique to detect planets, the astrometric signals expected, the role of reference stars, and the sources of measurement noise: photometric noise, atmospheric motion between stars, sky background, instrumental noise, and DCR. For the latter, we discuss a method to reduce the noise further to 66 micro-arcsecond for observations within 1 hr of the meridian and 45 deg of zenith. We discuss optimal lists of target stars taken from the latest Gliese & Jahreiss catalog of nearby stars with the largest potential astrometric signals, declination limits for both telescope accessibility and reduced DCR, and galactic latitude limits for a sufficiant number of reference stars. Two samples are described from which one can perform statistically significant searches for gas giant planets around nearby stars. One sample contains 100 "solar class" stars with an average stellar mass of 0.82 solar mass; the other maximizes the number of stars, 574, by searching mainly low-mass M stars. We perform Monte Carlo simulations of the statistical significance of the expected results by using measured and estimated noise quantities. We show the semimajor axis parameter spaces that are searched for each star and how an increase in the length of the observing program expands these spaces. The search over semimajor axis parameter space relates to the theory of gas giant planet formation.

Pravdo, Steven H.↗

NASA NTRS2000

The Ionization Source in the Nucleus of M84

We have obtained new Hubble Space Telescope (HST) observations of M84, a nearby massive elliptical galaxy whose nucleus contains a approximately 1.5 X 10(exp 9) solar mass dark compact object, which presumably is a supermassive black hole. Our Space Telescope Imaging Spectrograph (STIS) spectrum provides the first clear detection of emission lines in the blue (e.g., [0 II] lambda 3727, HBeta and [0 III] lambda lambda4959,5007), which arise from a compact region approximately 0".28 across centered on the nucleus. Our Near Infrared Camera and MultiObject Spectrometer (NICMOS) images exhibit the best view through the prominent dust lanes evident at optical wavelengths and provide a more accurate correction for the internal extinction. The relative fluxes of the emission lines we have detected in the blue together with those detected in the wavelength range 6295 - 6867 A by Bower et al. indicate that the gas at the nucleus is photoionized by a nonstellar process, instead of hot stars. Stellar absorption features from cool stars at the nucleus are very weak. We update the spectral energy distribution of the nuclear point source and find that although it is roughly flat in most bands, the optical to UV continuum is very red, similar to the spectral energy distribution of BL Lac. Thus, the nuclear point source seen in high-resolution optical images is not a star cluster but is instead a nonstellar source. Assuming isotropic emission from this source, we estimate that the ratio of bolometric luminosity to Eddington luminosity is about 5 x 10(exp -7). However, this could be underestimated if this source is a misaligned BL Lac object, which is a possibility suggested by the spectral energy distribution and the evidence of optical variability we describe.

Bower, G. A.↗

NASA NTRS2009

High Energy Astrophysics with the Fermi Large Area Telescope

This slide presentation reviews some of the findings of the Large Area Telescope (LAT) aboard the Fermi Observatory. It includes information about the LAT, and the Gamma-Ray Burst Monitor (GBM), detection of the quiet sun and the moon in gamma rays, Pulsars observed by the observatory, Globular Star Clusters, Active Galactic Nucleus, and Gamma-Ray Bursts, with specific information about GRB 080916C.

Hays, Elizabeth↗

NASA NTRSDate not supplied

Retrieve Methane from IR sounder measurements Using Machine Learning-Enhanced Physical Inversion

The sensitivity of IR sounder measurements to atmospheric CH 4 is often limited due to interferences from signals of other trace gases, insufficient thermal contrast, and cloud blockage. In order to resolve the geographical and vertical distribution of atmospheric CH 4 profiles, accurate scene-dependent a priori information is critically needed to support an optimal estimation method-based physical inversion scheme. Following the principles of indexing, representation, and retrieval, a spectral fingerprinting methodology is developed to address the needs for both accuracy and computational efficiency in sounder-based CH 4 retrieval. Within this framework, a clustering method based on machine learning is first employed to stratify and identify the a priori state within the pre-constructed database, using optimized spectral radiances as predictors. The corresponding radiative kernel is then used to establish the physical inversion scheme for finding the solution. High-quality data from CH 4 data assimilation systems like the Carbon-Tracker and the Copernicus Atmosphere Monitoring Service (CAMS) reanalysis, as well as the state-of-art sounder products are used to build the training database, including radiative kernels. We will demonstrate the results retrieved from CrIS observations and the associated validation work.

Wan Wu↗

NASA NTRS2023

MAXI J1848-015: The first detection of relativistically moving outflows from a globular cluster X-ray binary

Over the past decade, observations of relativistic outflows from outbursting X-ray binaries in the Galactic field have grown significantly. In this work, we present the first detection of moving and decelerating radio-emitting outflows from an X-ray binary in a globular cluster. MAXI J1848−015 is a recently discovered transient X-ray binary in the direction of the globular cluster GLIMPSE-C01. Using observations from the Karl G. Jansky Very Large Array, and a monitoring campaign with the MeerKAT observatory for 500 days, we model the motion of the outflows. This represents some of the most intensive, long-term coverage of relativistically moving X-ray binary outflows to date. We use the proper motions of the outflows from MAXI J1848−015 to constrain the component of the intrinsic jet speed along the line of sight, βint COS θejection, to be =0.19 ± 0.02. Assuming it is located in GLIMPSE-C01, at 3.4 kpc, we determine the intrinsic jet speed, βint = 0.79 ± 0.07, and the inclination angle to the line of sight, θejection = 76° ± 2°. This makes the outflows from MAXI J1848−015 somewhat slower than those seen from many other known X-ray binaries. We also constrain the maximum distance to MAXI J1848−015 to be 4.3 kpc. Finally, we discuss the implications of our findings for the nature of the compact object in this system, finding that a black hole primary is a viable (but as-of-yet unconfirmed) explanation for the observed properties of MAXI J1848−015. If future data and/or analysis provide more conclusive evidence that MAXI J1848−015 indeed hosts a black hole, it would be the first black hole X-ray binary in outburst identified in a Galactic globular cluster.

A. Bahramian↗