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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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At least 1,549 records · Page 86

Epitaxial (Al x Ga 1-x-y In y ) 2 O 3 Alloys Lattice Matched to Monoclinic Ga 2 O 3 Substrates

We have epitaxially stabilized a series of monoclinic (Al x Ga 1-x-y In y ) 2 O 3 alloys by careful choice of molecular beam epitaxy growth conditions, which balance alloy growth with suboxide desorption. The films are pseudomorphic to (010) β-Ga 2 O 3 substrates at thicknesses up to 150 nm with compositions ranging from (Al 0.01 Ga 0.83 In 0.16 ) 2 O 3 to (Al 0.24 Ga 0.75 In 0.03 ) 2 O 3 . The absorption edge shifts from approximately 4.62-5.14 eV with coincidently increasing Al and decreasing In mole fractions. J-V measurements reveal an increase in resistivity over four orders of magnitude with a maximum value of 4.2 x 10 5 Ω-cm for (Al 0.17 Ga 0.76 In 0.07 ) 2 O 3 , which has nearly identical lattice parameters (both in-plane and out-of-plane) to the underlying β-Ga 2 O 3 . Scanning transmission electron microscopy of this sample reveals a mostly uniform and single crystalline film, though we identify areas of non-uniform In incorporation and some γ-phase inclusions. This work demonstrates the feasibility of thick layers lattice-matched to β-Ga 2 O 3 with increased bandgap compared to phase-separation limited (Al,Ga) 2 O 3 . These alloys can enable higher bandgap epitaxial dielectrics and high sheet charge density transistors by increasing the conduction band offset with respect to β-Ga 2 O 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Elephant range and population, strontium isotopes, and genetics combine to give local-scale specificity to ivory hotspot tracking

We use Sr isotopes to increase the precision of DNA-based origin estimates of wildlife products. Population information is used to develop Sr isotope Elephant Polygons that are overlaid onto the region of origin identified by DNA assignment to determine the sources of seized ivory samples. Our approach is cognizant of isotope mixing due to isotope turnover within animals and also of the large home range of elephants or other mobile species. Genetic information from 3 different law enforcement ivory seizures suggests a region of origin confined to Kenya and Tanzania in eastern Africa. We determine characteristic 87 Sr/ 86 Sr ratios for each of 25 different Elephant Polygons within this region using analyses of more the 600 known-origin reference samples. Using both the 87 Sr/ 86 Sr ratios of the seized ivory samples and elephant population estimates from individual Elephant Polygons we find that at least 75 % of the samples likely came from a single Elephant Polygon which includes the Tsavo National Parks in Kenya and the Mkomazi National Park in Tanzania. A few samples may have come from other regions, most likely from Tanzania. This study illustrates the value of combining genetics, isotope geochemistry, and population surveys in wildlife forensics studies.

Africa↗

Structural, magnetic, and electronic evolution of the spin-ladder system BaFe 2 S 3-x Se x with isoelectronic substitution

We reWe report experimental studies of a series of BaF e 2 S 3 - x Se x ( 0 ≤ $x$ ≤ 3 ) single crystals and powder specimens using x-ray diffraction, neutron-diffraction, muon-spin-relaxation, and electrical transport measurements. A structural transformation from $C$ $mcm$ ( BaFe 2 Se 3 ) to $P$ $nma$ ( BaFe 2 Se 3 ) was identified around $x$ = 0.7 - 1 . Neutron-diffraction measurements on the samples with $x$ = 0.2, 0.4, and 0.7 reveal that the Néel temperature of the stripe antiferromagnetic order is gradually suppressed from ~120 to 85 K, while the magnitude of the ordered Fe 2+ moments shows very little variation. Similarly, the block antiferromagnetic order in BaFe 2 Se 3 remains robust for 1.5 ≤ $x$ ≤ 3 with negligible variation in the ordered moment and a slight decrease of the Néel temperature from 250 K ( $x$ = 3 ) to 225 K ( $x$ = 1.5 ). The sample with $x$ = 1 near the $C$ $mcm$ and $P$ $nma$ border shows coexisting, two-dimensional, short-range stripe- and block-type antiferromagnetic correlations. The system remains insulating for all $x$ , but the thermal activation gap shows an abrupt increase when traversing the boundary from the $C$ $mcm$ stripe phase to the $P$ $nma$ block phase. The results demonstrate that the crystal structure, magnetic order, and electronic properties are strongly coupled in the BaFe 2 S 3-x Se x system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nature of native atomic defects in ZrTe 5 and their impact on the low-energy electronic structure

Over the past decades, investigations of the anomalous low-energy electronic properties of ZrTe 5 have reached a wide array of conclusions. An open question is the growth method's impact on the stoichiometry of ZrTe 5 samples, especially given the very small density of states near its chemical potential. In this work, we report on high-resolution scanning tunneling microscopy and spectroscopy measurements performed on samples grown via different methods. Using density functional theory calculations, we identify the most prevalent types of atomic defects on the surface of ZrTe 5 , namely, Te vacancies and intercalated Zr atoms. Finally, we precisely quantify their density and outline their role as ionized defects in the anomalous resistivity of this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Predicting Postoperative Injury and Military Discharge Status After Knee Surgery in the US Army

Background: Researchers have assessed postoperative injury or disability predictors in the military setting but typically focused on 1 type of surgical procedure at a time, used relatively small sample sizes, or investigated mixed cohorts with civilian populations. Purpose: To identify the relationship between baseline variables and injury incidence or military discharge status in US Army soldiers after knee surgery. Study Design: Case-control study; Level of evidence, 3. Methods: Data were obtained from a repository containing personnel, performance, and medical records for all active-duty US Army soldiers. Multivariate logistic regressions were used to estimate the effects of numerous variables on postoperative injury or on medical discharge. Variable selection and model validation were conducted using the k-fold method. Results: A total of 7567 soldiers underwent knee surgery between 2017 and 2019. Meniscal procedures were the most common type of surgery (39%), and approximately 71% of the cohort had a postoperative injury. Significant predictors for sustaining a postoperative injury included having a previous nonknee injury (odds ratio [OR], 1.5), female sex (OR, 1.3), and Black race (OR, 1.2). Within 4 years after surgery, 17% of soldiers were discharged from the military because of knee-related disability. Significant predictors for discharge from duty included enlisted rank (OR, 2.3), recent fitness test failure (OR, 1.9), number of previous knee surgeries (OR, 1.7), and having a previous nonknee injury (OR, 1.6). Conclusion: After knee surgery, nearly three-fourths of the soldiers in this cohort sustained a postoperative injury and almost one-fifth of soldiers were medically discharged from the military within 4 years. This study identified variables that indicate statistically increased risk for these postoperative outcomes and highlighted potentially modifiable factors.

Orthopedics↗

Defect identification in simulated Bragg coherent diffraction imaging by automated AI

X-ray Bragg coherent diffraction imaging is a powerful technique for operando and in situ materials characterization and provides a unique means of quantifying the influence of one-dimensional (1D) and two-dimensional (2D) material defects on material response. However, obtaining full images from raw x-ray diffraction data is nontrivial and computationally intensive, precluding real-time experimental feedback. Here, we present a machine learning approach to identify the presence of crystalline line defects (edge and screw) in samples from the raw, 2D, coherent diffraction data without the need for image reconstruction through iterative phase retrieval. Further, we compare different approaches to designing neural networks for this application and demonstrate the potential of automated ML (autoML) approaches.

36 MATERIALS SCIENCE↗

Fermentation of low-cost sustainable feedstocks to produce low-greenhouse gas generating food proteins

Rapidly scaling and producing more protein from low-cost sustainable sugar sources allowed Perfect Day to meet short-term goals for regulatory testing and provided samples for industrial partners. LBNL and Perfect Day were able to identify ideal process chain to better demonstrate the far-reaching benefits of Perfect Day’s technology. Finally, the data generated from these scale-up experiments were used to further strengthen Perfect Day’s techno-economic and life-cycle analyses.

59 BASIC BIOLOGICAL SCIENCES↗

OrganiCam

Researchers at Los Alamos have developed OrganiCam, a compact, lightweight laser-induced fluorescence imaging camera and a Raman spectrometer for Mars caves, icy-moon and asteroid surface exploration, and terrestrial sterile laboratory use. It was designed to make remote observations in extreme environments to identify organic molecules and the biosignatures of life. OrganiCam is a bold step in a new direction—space missions need an imager that can “see” (observe and positively identify) organic molecules and potential biosignatures and direct the arm to sample the most promising locations. This ability to clearly see and characterize organic materials is exactly what OrganiCam does. We are seeking a commercialization partner to license the technology or participate in a Cooperative Research and Development Agreement (CRADA) to develop the technology into a commercial ready product for terrestrial applications.

42 ENGINEERING↗

Assessment of the Impact of the Single Stream Recycling on Paper Contamination in Recovery Facilities and Paper Mills

Contaminated recyclables pose one of the largest roadblocks to an effective implementation of a circular economy system. Current knowledge surrounding the effects of various recycling methods on contamination rates is limited, thus preventing effective quantification of contamination effects. This study aims to fill this knowledge gap by assessing the impact of single stream recycling on paper contamination in MRFs and their end-products based on different composition studies conducted by facilities nationwide. This project expects to provide the foundational knowledge that could catalyze significant cost savings and energy consumption at MRFs and paper mills by understanding the levels of inbound and outbound contamination rates in SSR systems. Statistical analysis conducted in this project utilizes the available nationwide inbound and outbound samples collected as part of material composition and audit studies to identify and measure the significance of various factors on the resultant contamination levels. The research results provide benefits to both the recycling industry and its customers by addressing the causes and impact of contamination in recycled products, particularly with the wide applicability of single stream recycling within the United States.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Crystalline versus Glassy Nature of Iron Phosphate Waste Forms Subjected to Different Slow Cooling Curves

This report provides experimental details and associated results on the elemental distributions (compositions), crystalline/amorphous phase distributions, and microstructures for iron phosphate reference materials (DPF5-336) made with different cooling curves and starting from different temperatures (i.e., 1050°C and 1200°C). The primary goal of this work was to evaluate the properties of the DPF5- 336 reference material after it was melted and cooled at different rates to simulate the cooling profile of different types of canisters. Crystal fractions across the SCC#2, SCC#3, and SCC#5 samples were all similar ranging in crystal content of 35.66–41.14 mass% with amorphous fractions being the balance (64.34–58.86 mass%, respectively). This shows that the heat treatment profile did not seems to greatly affect either the total crystal content or the phase distributions. The quenched sample was almost completely amorphous (99.55 mass%) with very small peaks identified as Li 3 Fe 2 (PO 4 ) 3 whereas the SCC-treated materials showed peaks for what appear to be ten separate phases present in various concentrations. Another goal of these experiments was to see how the phase distribution affected chemical durability of these waste forms, but that information is being collected at Argonne National Laboratory and will be published in a separate report

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Problem-tailored Simulation of Energy Transport on Noisy Quantum Computers

The transport of conserved quantities like spin and charge is fundamental to characterizing the behavior of quantum many-body systems. Numerically simulating such dynamics is generically challenging, which motivates the consideration of quantum computing strategies. However, the relatively high gate errors and limited coherence times of today's quantum computers pose their own challenge, highlighting the need to be frugal with quantum resources. In this work we report simulations on quantum hardware of infinite-temperature energy transport in the mixed-field Ising chain, a paradigmatic many-body system that can exhibit a range of transport behaviors at intermediate times. We consider a chain with L = 12 sites and find results broadly consistent with those from ideal circuit simulators over 90 Trotter steps, containing up to 990 entangling gates. To obtain these results, we use two key problem-tailored insights. First, we identify a convenient basis – the Pauli Y basis – in which to sample the infinite-temperature trace and provide theoretical and numerical justifications for its efficiency relative to, e.g., the computational basis. Second, in addition to a variety of problem-agnostic error mitigation strategies, we employ a renormalization strategy that compensates for global nonconservation of energy due to device noise. We discuss the applicability of the proposed sampling approach beyond the mixed-field Ising chain and formulate a variational method to search for a sampling basis with small sample-to-sample fluctuations for an arbitrary Hamiltonian. This opens the door to applying these techniques in more general models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Structuring Nutrient Yields throughout Mississippi/Atchafalaya River Basin Using Machine Learning Approaches

To minimize the eutrophication pressure along the Gulf of Mexico or reduce the size of the hypoxic zone in the Gulf of Mexico, it is important to understand the underlying temporal and spatial variations and correlations in excess nutrient loads, which are strongly associated with the formation of hypoxia. This study’s objective was to reveal and visualize structures in high-dimensional datasets of nutrient yield distributions throughout the Mississippi/Atchafalaya River Basin (MARB). For this purpose, the annual mean nutrient concentrations were collected from thirty-three US Geological Survey (USGS) water stations scattered in the upper and lower MARB from 1996 to 2020. Eight surface water quality indicators were selected to make comparisons among water stations along the MARB over the past two decades. Principal component analysis (PCA) was used to comprehensively evaluate the nutrient yields across thirty-three USGS monitoring stations and identify the major contributing nutrient loads. The results showed that all samples could be analyzed using two main components, which accounted for 81.6% of the total variance. The PCA results showed that yields of orthophosphate (OP), silica (SI), nitrate–nitrites (NO 3 -NO 2 ), and total suspended sediment (TSS) are major contributors to nutrient yields. It also showed that land-planted crops, density of population, domestic and industrial discharges, and precipitation are fundamental causes of excess nutrient loads in MARB. These factors are of great significance for the excess nutrient load management and pollution control of the Mississippi River. It was found that the average nutrient yields were stable within the sub-MARB area, but the large nitrogen yields in the upper MARB and the large phosphorus yields in the lower MARB were of great concern. t-distributed stochastic neighbor embedding (t-SNE) revealed interesting nonlinear and local structures in nutrient yield distributions. Clustering analysis (CA) showed the detailed development of similarities in the nutrient yield distribution. Moreover, PCA, t-SNE, and CA showed consistent clustering results. This study demonstrated that the integration of dimension reduction techniques, PCA, and t-SNE with CA techniques in machine learning are effective tools for the visualization of the structures of the correlations in high-dimensional datasets of nutrient yields and provide a comprehensive understanding of the correlations in the distributions of nutrient loads across the MARB.

54 ENVIRONMENTAL SCIENCES↗

Detecting Arsenic Contamination Using Satellite Imagery and Machine Learning

Arsenic, a potent carcinogen and neurotoxin, affects over 200 million people globally. Current detection methods are laborious, expensive, and unscalable, being difficult to implement in developing regions and during crises such as COVID-19. This study attempts to determine if a relationship exists between soil’s hyperspectral data and arsenic concentration using NASA’s Hyperion satellite. It is the first arsenic study to use satellite-based hyperspectral data and apply a classification approach. Four regression machine learning models are tested to determine this correlation in soil with bare land cover. Raw data are converted to reflectance, problematic atmospheric influences are removed, characteristic wavelengths are selected, and four noise reduction algorithms are tested. The combination of data augmentation, Genetic Algorithm, Second Derivative Transformation, and Random Forest regression (R 2 =0.840 and normalized root mean squared error (re-scaled to [0,1]) = 0.122) shows strong correlation, performing better than past models despite using noisier satellite data (versus lab-processed samples). Three binary classification machine learning models are then applied to identify high-risk shrub-covered regions in ten U.S. states, achieving strong accuracy (=0.693) and F1-score (=0.728). Overall, these results suggest that such a methodology is practical and can provide a sustainable alternative to arsenic contamination detection.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

A History of H i Stripping in Virgo: A Phase-space View of VIVA Galaxies

We investigate the orbital histories of Virgo galaxies at various stages of H i gas stripping. In particular, we compare the location of galaxies with different H i morphology in phase space. This method is a great tool for tracing the gas stripping histories of galaxies as they fall into the cluster. Most galaxies at the early stage of H i stripping are found in the first infall region of Virgo, while galaxies undergoing active H i stripping mostly appear to be falling in or moving out near the cluster core for the first time. Galaxies with severely stripped, yet symmetric, H i disks are found in one of two locations. Some are deep inside the cluster, but others are found in the cluster outskirts with low orbital velocities. We suggest that the latter group of galaxies belong to a “backsplash” population. These present the clearest candidates for backsplashed galaxies observationally identified to date. We further investigate the distribution of a large sample of H i-detected galaxies toward Virgo in phase space, confirming that most galaxies are stripped of their gas as they settle into the gravitational potential of the cluster. In addition, we discuss the impact of tidal interactions between galaxies and group preprocessing on the H i properties of the cluster galaxies, and link the associated star formation evolution to the stripping sequence of cluster galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

New Oe Stars in LAMOST DR5

Stars of spectral type Oe are very rare. To date, only 13 Oe stars have been identified within our Galaxy. In this paper, we present six new Oe stars and four new B0e stars found in LAMOST DR5. Repeated spectral observations of the same Oe stars show some emission line variability. The H$\beta$ emission of TYC 4801-17-1 shows rapid V/R variation. Phase lags in the V/R ratio of TYC 4801-17-1 spectra are also seen. We found the unusual O4.5 star RL 128 is an Oe star with variable H$\alpha$ intensity and its Ca II triplet emission appears when H$\alpha$ emission reaches maximum intensity. In conclusion, these newly identified early type Oe and B0e stars significantly increase the known sample.

79 ASTRONOMY AND ASTROPHYSICS↗

The Origin of Star Formation in Early-type Galaxies Inferred from Spatially Resolved Spectroscopy

Abstract We investigate the origin of star formation activity in early-type galaxies with current star formation using spatially resolved spectroscopic data from the Mapping Nearby Galaxies at Apache Point Observatory in the Sloan Digital Sky Survey (SDSS). We first identify star-forming early-type galaxies from the SDSS sample, which are morphologically early-type but show current star formation activity in their optical spectra. We then construct comparison samples with different combinations of star formation activity and morphology, which include star-forming late-type galaxies, quiescent early-type galaxies, and quiescent late-type galaxies. Our analysis of the optical spectra reveals that the star-forming early-type galaxies have two distinctive episodes of star formation, which is similar to late-type galaxies but different from quiescent early-type galaxies with a single star formation episode. Star-forming early-type galaxies have properties in common with star-forming late-type galaxies, which include stellar population, gas and dust content, mass, and environment. However, the physical properties of star-forming early-type galaxies derived from spatially resolved spectroscopy differ from those of star-forming late-type galaxies in the sense that the gas in star-forming early-type galaxies is more concentrated than their stars, and is often kinematically misaligned with stars. The age gradient of star-forming early-type galaxies also differs from those of star-forming late-type galaxies. Our findings suggest that the current star formation in star-forming early-type galaxies has an external origin including galaxy mergers or accretion gas from the cosmic web.

Astronomy & Astrophysics↗

The LIGO HET Response (LIGHETR) Project to Discover and Spectroscopically Follow Optical Transients Associated with Neutron Star Mergers

The LIGO HET Response (LIGHETR) project is an enterprise to follow up optical transients (OTs) discovered as gravitational-wave merger sources by the LIGO/Virgo collaboration (LVC). Early spectroscopy has the potential to constrain crucial parameters such as the aspect angle. The LIGHETR collaboration also includes the capacity to model the spectroscopic evolution of mergers to facilitate a real-time direct comparison of models with our data. The principal facility is the Hobby–Eberly Telescope. LIGHETR uses the massively replicated VIRUS array of spectrographs to search for associated OTs and obtain early blue spectra, and in a complementary role, the low-resolution LRS2 spectrograph is used to obtain spectra of viable candidates as well as a densely sampled series of spectra of true counterparts. Once an OT is identified, the anticipated cadence of spectra would match or considerably exceed anything achieved for GW170817 = AT2017gfo for which there were no spectra in the first 12 hr and thereafter only roughly once daily. We describe special HET-specific software written to facilitate the program and attempts to determine the flux limits to undetected sources. We also describe our campaign to follow up OT candidates during the third observational campaign of the LIGO and Virgo Scientific Collaborations. We obtained VIRUS spectroscopy of candidate galaxy hosts for five LVC gravitational-wave events and LRS2 spectra of one candidate for the OT associated with S190901ap. We identified that candidate, ZTF19abvionh = AT2019pip, as a possible Wolf–Rayet star in an otherwise unrecognized nearby dwarf galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗

Cosmological Simulations of Stellar Halos with Gaia Sausage–Enceladus Analogs: Two Sausages, One Bun?

Observations of the Milky Way’s stellar halo find that it is predominantly comprised of a radially biased population of stars, dubbed the Gaia Sausage–Enceladus, or GSE. These stars are thought to be debris from dwarf galaxy accretion early in the Milky Way’s history. Though typically considered to be from a single merger, it is possible that the GSE debris has multiple sources. To investigate this possibility, we use the IllustrisTNG50 simulation to identify stellar accretion histories in 98 Milky Way analogs—the largest sample for which such an identification has been performed—and find GSE-like debris in 32, with two-merger GSEs accounting for a third of these cases. Distinguishing single-merger GSEs from two-merger GSEs is difficult in common kinematic spaces, but differences are more evident through chemical abundances and star formation histories. This is because single-merger GSEs are typically accreted more recently than the galaxies in two-merger GSEs: the median infall times (with 16th and 84th percentiles) are $5.{9}_{-2.0}^{+3.3}$ and $10.{7}_{-3.7}^{+1.2}$ Gyr ago for single- and two-merger scenarios, respectively. The systematic shifts in abundances and ages that occur as a result suggest that efforts in modeling these aspects of the stellar halo prove ever-important in understanding its assembly.

galactic archaeology↗