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NASA NTRS2022

The Zn, S, and Cl Isotope Compositions of Mare Basalts: Implications for the Effects of Eruption Style and Pressure on Volatile Element Stable Isotope Fractionation on the Moon

We compare the stable isotope compositions of Zn, S, and Cl for Apollo mare basalts to better constrain the sources and timescales of lunar volatile loss. Mare basalts have broadly elevated yet limited ranges in δ(66)Zn, δ(34)S, and δ(37)Cl_(SBC+WSC) values of 1.27 ± 0.71, 0.55 ± 0.18, and 4.1 ± 4.0‰, respectively, compared to the silicate Earth at 0.15, –1.28, and 0‰, respectively. We find that the Zn, S, and Cl isotope compositions are similar between the low- and high-Ti mare basalts, providing evidence of a geochemical signature in the mare basalt source region that is inherited from lunar formation and magma ocean crystallization. The uniformity of these compositions implies mixing following mantle overturn, as well as minimal changes associated with subsequent mare magmatism. Degassing of mare magmas and lavas did not contribute to the large variations in Zn, S, and Cl isotope compositions found in some lunar materials (i.e., 15‰ in δ(66)Zn, 60‰ in δ(34)S, and 30‰ in δ(37)Cl). This reflects magma sources that experienced minimal volatile loss due to high confining pressures that generally exceeded their equilibrium saturation pressures. Alternatively, these data indicate effective isotopic fractionation factors were near unity. Our observations of S isotope compositions in mare basalts contrast to those for picritic glasses (Saal and Hauri 2021), which vary widely in S isotope compositions from –14.0 to 1.3‰, explained by extensive degassing of picritic magmas under high-P/P_(Sat) values (>0.9) during pyroclastic eruptions. The difference in the isotope compositions of picritic glass beads and mare basalts may result from differences in effusive (mare) and explosive (picritic) eruption styles, wherein the high-gas contents necessary for magma fragmentation would result in large effective isotopic fractionation factors during degassing of picritic magmas. Additionally, in highly vesiculated basalts, the δ(34)S and δ(37)Cl values of apatite grains are higher and more variable than the corresponding bulk-rock values. The large isotopic range in the vesiculated samples is explained by late-stage low-pressure “vacuum” degassing (P/P-(Sat) ~ 0) of mare lavas wherein vesicle formation and apatite crystallization took place post-eruption. Bulk-rock mare basalts were seemingly unaffected by vacuum degassing. Degassing of mare lavas only became important in the final stages of crystallization recorded in apatite—potentially facilitated by cracks/fractures in the crystallizing flow. We conclude that samples with wide-ranging volatile element isotope compositions are likely explained by localized processes, which do not represent the bulk Moon.

Halogens↗

NASA NTRS1994

Acetone in the atmosphere: Distribution, sources, and sinks

Acetone (CH3COCH3) was found to be the dominant nonmethane organic species present in the atmosphere sampled primarily over eastern Canada (0-6 km, 35 deg-65 deg N) during ABLE3B (July to August 1990). A concentration range of 357 to 2310 ppt (= 10(exp -12) v/v) with a mean value of 1140 +/- 413 ppt was measured. Under extremely clean conditions, generally involving Arctic flows, lowest (background) mixing ratios of 550 +/- 100 ppt were present in much of the troposphere studied. Correlations between atmospheric mixing ratios of acetone and select species such as C2H2, CO, C3H8, C2Cl4 and isoprene provided important clues to its possible sources and to the causes of its atmospheric variability. Biomass burning as a source of acetone has been identified for the first time. By using atmospheric data and three-dimensional photochemical models, a global acetone source of 40-60 Tg (= 10(exp 12) g)/yr is estimated to be present. Secondary formation from the atmospheric oxidation of precursor hydrocarbons (principally propane, isobutane, and isobutene) provides the single largest source (51%). The remainder is attributable to biomass burning (26%), direct biogenic emissions (21%), and primary anthropogenic emissions (3%). Atmospheric removal of acetone is estimated to be due to photolysis (64%), reaction with OH radicals (24%), and deposition (12%). Model calculations also suggest that acetone photolysis contributed significantly to PAN formation (100-200 ppt) in the middle and upper troposphere of the sampled region and may be important globally. While the source-sink equation appears to be roughly balanced, much more atmospheric and source data, especially from the southern hemisphere, are needed to reliably quantify the atmospheric budget of acetone.

Singh, H. B.↗

DOE OSTI2014

Scaling relations and X-ray properties of moderate-luminosity galaxy clusters from 0.3 < z < 0.6 with XMM-Newton

We present new X-ray temperatures and improved X-ray luminosity estimates for 15 new and archival XMM-Newton observations of galaxy clusters at intermediate redshift with mass and luminosities near the galaxy group/cluster division (M{sub 2500}<2.4×10{sup 14} h{sub 70}{sup −1} M{sub ⊙}, L < 2 × 10{sup 44} erg s{sup –1}, 0.3 < z < 0.6). These clusters have weak-lensing mass measurements based on Hubble Space Telescope observations of clusters representative of an X-ray-selected sample (the ROSAT 160SD survey). The angular resolution of XMM-Newton allows us to disentangle the emission of these galaxy clusters from nearby point sources, which significantly contaminated previous X-ray luminosity estimates for 6 of the 15 clusters. We extend cluster scaling relations between X-ray luminosity, temperature, and weak-lensing mass for low-mass, X-ray-selected clusters out to redshift ∼0.45. These relations are important for cosmology and the astrophysics of feedback in galaxy groups and clusters. Our joint analysis with a sample of 50 clusters in a similar redshift range but with larger masses (M {sub 500} < 21.9 × 10{sup 14} M {sub ☉}, 0.15 ≤ z ≤ 0.55) from the Canadian Cluster Comparison Project finds that within r {sub 2500}, M∝L {sup 0.44±0.05}, T∝L {sup 0.23±0.02}, and M∝T {sup 1.9±0.2}. The estimated intrinsic scatter in the M-L relation for the combined sample is reduced to σ{sub log(M|L)} = 0.10, from σ{sub log} {sub (M|L)} = 0.26 with the original ROSAT measurements. We also find an intrinsic scatter for the T-L relation, σ{sub log} {sub (T|L)} = 0.07 ± 0.01.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Patterns and controls on island‐wide aboveground biomass accumulation in second‐growth forests of Puerto Rico

Abstract Understanding the heterogeneity of biomass accumulation in second‐growth tropical forests following land use abandonment is important for informing ecosystem carbon models and forest restoration efforts. There is an urgent need for a broad sample of second‐growth forests to enhance our knowledge of carbon accumulation in human‐dominated landscapes, especially for older forests. Puerto Rico has predominantly second‐growth forests, ranging in age from approximately 25 to more than 80 years. We used an island‐wide sample of airborne lidar from the NASA Goddard Lidar, Hyperspectral, and Thermal (G‐LiHT) Airborne Imager collected on March 2017, forest inventory data, and data on forest age, precipitation, soils, and land use to estimate aboveground biomass stocks in moist and wet, second‐growth tropical forests. Biomass accumulation rates in Puerto Rico were lower, on average, than in other Neotropical forests. Median biomass across >16,700 ha of older second‐growth forests was 105 Mg ha −1 , and sampled biomass rarely surpassed 250 Mg ha −1 . Differences in biomass by age were large and persistent across different substrates and land uses, with a plateau in the pattern of island‐wide biomass accumulation after about 33 years. A spatial regression model showed that multiple factors were related to biomass accumulation, including time since abandonment, geologic substrate, past land use as coffee or pasture, precipitation, topographic wetness index, and slope. Our findings have important consequences for the total carbon storage and expected climate mitigation benefits of large‐scale reforestation efforts, and highlight the value of airborne lidar for quantifying biomass variability in complex tropical landscapes. Abstract in Spanish is available with online material.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2012

Advisory Algorithm for Scheduling Open Sectors, Operating Positions, and Workstations

Air traffic controller supervisors configure available sector, operating position, and work-station resources to safely and efficiently control air traffic in a region of airspace. In this paper, an algorithm for assisting supervisors with this task is described and demonstrated on two sample problem instances. The algorithm produces configuration schedule advisories that minimize a cost. The cost is a weighted sum of two competing costs: one penalizing mismatches between configurations and predicted air traffic demand and another penalizing the effort associated with changing configurations. The problem considered by the algorithm is a shortest path problem that is solved with a dynamic programming value iteration algorithm. The cost function contains numerous parameters. Default values for most of these are suggested based on descriptions of air traffic control procedures and subject-matter expert feedback. The parameter determining the relative importance of the two competing costs is tuned by comparing historical configurations with corresponding algorithm advisories. Two sample problem instances for which appropriate configuration advisories are obvious were designed to illustrate characteristics of the algorithm. Results demonstrate how the algorithm suggests advisories that appropriately utilize changes in airspace configurations and changes in the number of operating positions allocated to each open sector. The results also demonstrate how the advisories suggest appropriate times for configuration changes.

Bloem, Michael↗

NASA NTRS1988

Lewis Cliff 86010, a unique Antarctic meteorite: Possible new clues to the early history of the solar system

Results form the Antarctic sample, LEW 86010 indicate that it is an extremely interesting meteorite of clear igneous origin, and is probably closely related to ADOR. Several important questions await further detailed study. The most stringent test of the relationship to ADOR will come from the measurement of the oxygen isotopic composition. One possibility proposed is that LEW 86010 represents a partial or total melt of a mixture of material similar to the white Allende clasts and more ordinary chondritic meteorite material. Several lines of investigation will contribute to resolve this question. Further melting studies will be performed to determine whether LEW 86010 represents molten lava. In addition to test the connection with Allende, isotopic studies will look for anomalous isotopic compositions which are ubiquitous in Allende white inclusions. All of these studies will be performed on a tiny sample which weights only 5 grams, and is smaller than a marble, but which contains important clues to events which occurred during the birth of the solar system.

Mckay, G. A.↗

DOE OSTI2014

MO-G-12A-01: Quantitative Imaging Metrology: What Should Be Assessed and How?

The first two symposia in the Quantitative Imaging Track focused on 1) the introduction of quantitative imaging (QI) challenges and opportunities, and QI efforts of agencies and organizations such as the RSNA, NCI, FDA, and NIST, and 2) the techniques, applications, and challenges of QI, with specific examples from CT, PET/CT, and MR. This third symposium in the QI Track will focus on metrology and its importance in successfully advancing the QI field. While the specific focus will be on QI, many of the concepts presented are more broadly applicable to many areas of medical physics research and applications. As such, the topics discussed should be of interest to medical physicists involved in imaging as well as therapy. The first talk of the session will focus on the introduction to metrology and why it is critically important in QI. The second talk will focus on appropriate methods for technical performance assessment. The third talk will address statistically valid methods for algorithm comparison, a common problem not only in QI but also in other areas of medical physics. The final talk in the session will address strategies for publication of results that will allow statistically valid meta-analyses, which is critical for combining results of individual studies with typically small sample sizes in a manner that can best inform decisions and advance the field. Learning Objectives: Understand the importance of metrology in the QI efforts. Understand appropriate methods for technical performance assessment. Understand methods for comparing algorithms with or without reference data (i.e., “ground truth”). Understand the challenges and importance of reporting results in a manner that allows for statistically valid meta-analyses.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Excess carrier concentration in silicon devices and wafers: How bulk properties are expected to accelerate light and elevated temperature degradation

Light and elevated temperature induced degradation (LeTID) is accelerated nearly linearly by the presence of excess carriers. It is therefore important to understand how excess carrier concentration (Δn) changes as a function of exposure conditions, materials properties, and sample structure. We simulate Δn as a function of wafer thickness and bulk minority carrier lifetime (τ) in solar cells and wafers using SCAPS and Quokka3. We also derive closed-form analytic expressions. For wafers, there is a near-linear relationship between Δn and τ or thickness, whereas for solar cells, Δn in the bulk may become limited by rear surface recombination. Thus, LeTID may progress more quickly in wafers than in cells, with a stronger dependence on τ. When comparing experiments, observed degradation rates must be corrected between samples or conditions to account for differences in Δn. This study demonstrates three tools to estimate the magnitude of such corrections, which can aid in the quantitative interpretation of LeTID data and performance predictions. Finally, while each tool yields similar results, there are advantages to each approach that must be weighed in terms of simplicity of inputs versus sophistication of treatment. Incomplete specification of back contact characteristics in commercial products is identified as an important contributor to uncertainty in expected LeTID rates.

36 MATERIALS SCIENCE↗

NASA NTRS2022

Patterns and Controls on Island-Wide Aboveground Biomass Accumulation in Second-Growth Forests of Puerto Rico

Understanding the heterogeneity of biomass accumulation in second-growth tropical forests following land use abandonment is important for informing ecosystem carbon models and forest restoration efforts. There is an urgent need for a broad sample of second-growth forests to enhance our knowledge of carbon accumulation in human-dominated landscapes, especially for older forests. Puerto Rico has predominantly second-growth forests, ranging in age from approximately 25 to more than 80 years. We used an island-wide sample of airborne lidar from the NASA Goddard Lidar, Hyperspectral, and Thermal (G-LiHT) Airborne Imager collected on March 2017, forest inventory data, and data on forest age, precipitation, soils, and land use to estimate aboveground biomass stocks in moist and wet, second-growth tropical forests. Biomass accumulation rates in Puerto Rico were lower, on average, than in other Neotropical forests. Median biomass across >16,700 ha of older second-growth forests was 105 Mg ha−1, and sampled biomass rarely surpassed 250 Mg ha−1. Differences in biomass by age were large and persistent across different substrates and land uses, with a plateau in the pattern of island-wide biomass accumulation after about 33 years. A spatial regression model showed that multiple factors were related to biomass accumulation, including time since abandonment, geologic substrate, past land use as coffee or pasture, precipitation, topographic wetness index, and slope. Our findings have important consequences for the total carbon storage and expected climate mitigation benefits of large-scale reforestation efforts, and highlight the value of airborne lidar for quantifying biomass variability in complex tropical landscapes.

Sebastián Martinuzzi↗

DOE OSTI2016

Progress In Developing Laser Based Post Irradiation Examination Infrastructure

To be able to understand the performance of reactor fuels and materials, irradiated materials must be characterized effectively and efficiently in a high rad environment. The characterization work must be performed remotely and in an environment hostile to instrumentation. Laser based characterization techniques provide the ability to be remote and robust in a hot-cell environment. Laser based instrumentation also can provide high spatial resolution suitable for scanning and imaging large areas. The INL is currently developing three laser based Post Irradiation Examination (PIE) stations for the Hot Fuel Examination Facility at the INL. These laser based systems will characterize irradiated materials and fuels. The characterization systems are the following: Laser Shock Laser based ultrasonic C-scan system Gas Assay, Sample, and Recharge system (GASR, up-grade to an existing system). The laser shock technique will characterize material properties and failure loads/mechanisms in various materials such as LWR fuel, plate fuel, and next generation fuel forms, for PIE in high radiation areas. The laser shock-technique induces large amplitude shock waves to mechanically characterize interfaces such as the fuel-clad bond. The shock wave travels as a compression wave through the material to the free (unconfined) back surface and reflects back through the material under test as a rarefaction (tensile) wave. This rarefaction wave is the physical mechanism that produces internal de-lamination failure. As part of the laser shock system, a laser-based ultrasonic C-scan system will be used to detect and characterize debonding caused by the laser shock technique. The laser ultrasonic system will be fully capable of performing classical non-destructive evaluation testing and imaging functions such as microstructure characterization, flaw detection and dimensional metrology in complex components. The purpose of the GASR is to measure the pressure/volume of the plenum of an irradiated fuel element and obtain fission gas samples for analysis. The study of pressure and volume in the plenum of an irradiated fuel element and the analysis of fission gases released from the fuel is important to understanding the performance of reactor fuels and materials. This system may also be used to measure the pressure/volume of other components (such as control blades) and obtain gas samples from these components for analysis. The main function of the laser in this application is to puncture the fuel element to allow the fission gas to escape and if necessary to weld the spot close. The GASR station will have the inherent capability to perform cutting welding and joining functions within a hot-cell.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2018

Theoretical Study of C-H Bond Cleavage via Concerted Proton-Coupled Electron Transfer in Fluorenyl-Benzoates

Developing new strategies to activate and cleave C-H bonds is important for a broad range of applications. Recently a new approach for C-H bond activation using multi-site concerted proton-coupled electron transfer (PCET) involving intermolecular electron transfer to an oxidant coupled to intramolecular proton transfer was reported. For a series of oxidants reacting with 2-(9H-fluoren-9-yl)benzoate, experimental studies revealed an atypical Brønsted a, defined as the slope of the logarithm of the PCET rate constant versus the logarithm of the equilibrium constant or the scaled driving force. Herein this reaction is modeled with a vibronically nonadiabatic PCET theory. Hydrogen tunneling, thermal sampling of the proton donor-acceptor mode, solute and solvent reorganization, and contributions from excited vibronic states are found to play important roles. The calculations qualitatively reproduce the experimental observation of a Brønsted a significantly less than 0.5 and explain this shallow slope in terms of exoergic processes between pairs of electron-proton vibronic states. These fundamental mechanistic insights may guide the design of more effective strategies for C-H bond activation and cleavage.

Sayfutyarova, Elvira R.↗

NASA NTRS2016

On-orbit RNA Purification and qRT-PCR Capabilities of the WetLab-2 System

NASA Ames Research Center’s WetLab-2 system brings new capabilities to the ISS for researchers. The system can lyse cells and extract RNA on-orbit from different sample types ranging from microbial cultures to animal tissues. Our purification method has the advantage of using non-toxic chemicals and does not require alcohols or other organics. The purified RNA can then either be stabilized for return to Earth or can be used to conduct on-orbit quantitative Reverse Transcriptase PCR (qRT-PCR) analysis without the need for sample return. qRT-PCR reactions are performed by dispensing the RNA into reaction tubes that contain all lyophilized reagents needed to perform the analysis. The system uses a Cepheid® SmartCycler that allows for multiplexing of assays, this can be used to normalize for RNA concentration and integrity and to study multiple genes of interest in each tube. There are a total of 16 independent PCR modules each capable of detecting up to four fluorescent channels. The WetLab- 2 system can downlink data from the ISS to the ground after a completed run and uplink new thermal cycling programs. The ability to purify and stabilize RNA on-orbit can eliminate the confounding effects of reentry stresses and shock acting on live cells and organisms or the concern of RNA degradation of some samples. It also has the benefit of minimizing the needed downmass. Conducting qRT-PCR and generating results on-orbit is also an important step towards utilizing the ISS as a National Laboratory facility. Specifically, the ability to get on-orbit data will provide investigators with the opportunity to adjust experimental parameters in real time without the need for sample return and re-flight. On orbit gene expression analysis can also provide benchmarking prior to sample return. The system can also be used for analysis of air, surface, water, and clinical samples to monitor environmental pathogens and crew health. The validation flight of the WetLab-2 system using E. coli bacteria and mouse liver is scheduled to launch on SpaceX-8 this spring. Pending operations, the preliminary results from the validation flight will be presented. To support the needs of future researchers, we are adapting our system to purify RNA from two additional sample types: fibrous tissue such as muscle and mammalian adherent cells grown on alginate beads. Progress of this work will also be presented. The WetLab-2 Project is supported by the Research Integration Office in the ISS Program.

Parra, Macarena↗

DOE OSTI2023

Sample-efficient verification of continuously-parameterized quantum gates for small quantum processors

Most near-term quantum information processing devices will not be capable of implementing quantum error correction and the associated logical quantum gate set. Instead, quantum circuits will be implemented directly using the physical native gate set of the device. These native gates often have a parameterization (e.g., rotation angles) which provide the ability to perform a continuous range of operations. Verification of the correct operation of these gates across the allowable range of parameters is important for gaining confidence in the reliability of these devices. In this work, we demonstrate a procedure for sample-efficient verification of continuously-parameterized quantum gates for small quantum processors of up to approximately 10 qubits. This procedure involves generating random sequences of randomly-parameterized layers of gates chosen from the native gate set of the device, and then stochastically compiling an approximate inverse to this sequence such that executing the full sequence on the device should leave the system near its initial state. We show that fidelity estimates made via this technique have a lower variance than fidelity estimates made via cross-entropy benchmarking. This provides an experimentally-relevant advantage in sample efficiency when estimating the fidelity loss to some desired precision. We describe the experimental realization of this technique using continuously-parameterized quantum gate sets on a trapped-ion quantum processor from Sandia QSCOUT and a superconducting quantum processor from IBM Q, and we demonstrate the sample efficiency advantage of this technique both numerically and experimentally.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Progress in developing laser based post irradiation examination infrastructure

To be able to understand the performance of reactor fuels and materials, irradiated materials must be characterized effectively and efficiently in high rad environments. This characterization work is performed remotely and in environments generally hostile to instrumentation. Laser based characterization techniques provide the ability to operate remotely and robustly in a hot-cell environment. Laser based instrumentation also can provide high spatial resolution suitable for scanning and imaging large areas. The INL is currently developing three laser based Post Irradiation Examination (PIE) stations for the Hot Fuel Examination Facility (HFEF) at the INL. These laser based systems will characterize irradiated materials and fuels. The characterization systems are the following: -) laser shock, -) laser based ultrasonic C-scan system and -) gas assay, sample and recharge system (GASR, up-grade to an existing system). The laser shock technique will characterize material properties and failure loads/mechanisms in various materials such as Light Water Reactor (LWR) fuel, plate fuel, and next generation fuel forms in high radiation areas. The laser shock-technique induces large amplitude shock waves to mechanically characterize interfaces such as the fuel-clad bond. As part of the laser shock system, a laser-based ultrasonic C-scan system will be used to detect and characterize de bonding caused by the application of the laser shock as well as performing classical non-destructive evaluation testing and imaging functions such as microstructure characterization, flaw detection and dimensional metrology. A spectroscopy capability can be added later as the salient components to perform Light Induced Breakdown Spectroscopy will be in place. Additional fiber ports in the feed-through will also enable future spectroscopic techniques to be efficiently installed and operated. The purpose of the GASR is to measure the pressure/volume of the plenum of an irradiated fuel element/capsule and obtain fission gas samples for analysis. The study of pressure and volume in the plenum of an irradiated fuel element/capsule and the analysis of fission gases released is important to understanding the performance of reactor fuels and materials. The main function of the laser in this application is to puncture the fuel rod or plate to allow the fission gas to escape and if necessary to weld the hole close. This system may also be used to measure the pressure/volume of other components (such as control blades) and obtain gas samples from these components for analysis. The GASR upgrade will match the functionality of the current system and provide these important functions on fuels made from current and future engineered materials. The GASR station will also have the inherent capability to perform cutting welding and joining functions within a hot-cell. The extra fiber ports built into the hot cell feed-through will also enable the efficient installation of future laser processing work benches. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Dissolution of Mg-enriched defects in implanted GaN and increased p-type dopant activation

Annealing Mg-implanted homoepitaxial GaN at temperatures above 1400 °C eliminates the formation of inversion domains and leads to improved dopant activation efficiency. Extended defects, in the form of inversion domains, contain electrically inactive Mg after post-implantation annealing at temperatures as high as 1300 °C (one GPa N 2 overpressure), which results in a low dopant activation efficiency. Triple-axis x-ray data reveal that implant-induced strain is fully relieved after annealing at 1300 °C for 10 min, indicating that strain-inducing point defects formed during implantation have reconfigured and inversion domains are formed. However, annealing at temperatures of 1400–1500 °C (one GPa N 2 overpressure) eliminates the presence of the inversion domains. While residual defects, such as dislocation loops, still exist after annealing at and above 1400 °C, chemical analysis at multiple dislocation loops shows no sign of Mg segregation. Meanwhile, an overall decreasing trend in the dislocation loop density is observed after annealing at the higher temperatures and longer times. Additionally, once inversion domains are formed and the samples are cooled to room temperature, they are shown to dissolve with subsequent annealing above 1400 °C. While such defects have been observed before, the important finding that such defects can be dissolved with a short, higher temperature step is key. Earlier work [Breckenridge et al., J. Appl. Phys. Lett. 118, 022101 (2021)] addressing electrical measurements of these types of samples showed that annealing at 1400 °C leads to a dopant activation efficiency that is an order of magnitude higher than that observed at 1300 °C. In conclusion, this work complements earlier work by identifying the inversion domains, which incorporate Mg, and points to the benefits, in terms of defect density and p-type dopant activation, of using higher temperature (>1400 °C) annealing cycles to activate Mg in GaN, even if the Mg-containing inversion domains had been formed during lower temperature annealing.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Differentiating Botulinum Neurotoxin-Producing Clostridia with a Simple, Multiplex PCR Assay

Diverse members of the genus Clostridium produce botulinum neurotoxins (BoNTs), which cause a flaccid paralysis known as botulism. While multiple species of clostridia produce BoNTs, the majority of human botulism cases have been attributed to Clostridium botulinum groups I and II. Recent comparative genomic studies have demonstrated the genomic diversity within these BoNT-producing species. This report introduces a multiplex PCR assay for differentiating members of C. botulinum group I, C. sporogenes , and two major subgroups within C. botulinum group II. Coding region sequences unique to each of the four species/subgroups were identified by in silico analyses of thousands of genome assemblies, and PCR primers were designed to amplify each marker. The resulting multiplex PCR assay correctly assigned 41 tested isolates to the appropriate species or subgroup. A separate PCR assay to determine the presence of the ntnh gene (a gene associated with the botulinum neurotoxin gene cluster) was developed and validated. The ntnh gene PCR assay provides information about the presence or absence of the botulinum neurotoxin gene cluster and the type of gene cluster present ( ha positive [ ha + ] or orfX + ). The increased availability of whole-genome sequence data and comparative genomic tools enabled the design of these assays, which provide valuable information for characterizing BoNT-producing clostridia. The PCR assays are rapid, inexpensive tests that can be applied to a variety of sample types to assign isolates to species/subgroups and to detect clostridia with botulinum neurotoxin gene ( bont ) clusters. IMPORTANCE: Diverse clostridia produce the botulinum neurotoxin, one of the most potent known neurotoxins. In this study, a multiplex PCR assay was developed to differentiate clostridia that are most commonly isolated in connection with human botulism cases: C. botulinum group I, C. sporogenes , and two major subgroups within C. botulinum group II. Since BoNT-producing and nontoxigenic isolates can be found in each species, a PCR assay to determine the presence of the ntnh gene, which is a universally present component of bont gene clusters, and to provide information about the type ( ha + or orfX + ) of bont gene cluster present in a sample was also developed. The PCR assays provide simple, rapid, and inexpensive tools for screening uncharacterized isolates from clinical or environmental samples. The information provided by these assays can inform epidemiological studies, aid with identifying mixtures of isolates and unknown isolates in culture collections, and confirm the presence of bacteria of interest.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

SDSS-IV MaNGA: the role of the environment in AGN triggering

ABSTRACT The large- and small-scale environments around optically-selected AGN host galaxies and a control sample of non-active galaxies in the MaNGA survey have been investigated in order to evaluate the importance of the environment in AGN triggering. Using the MaNGA integral field spectroscopy, we quantify non-circular motions of the ionized gas and detect an excess of radial gas motions in AGN hosts relative to control galaxies, not associated to AGN feedback and are most likely the result of tidal interactions, possibly associated with the triggering of the AGN. We find that the large-scale environments are similar for the AGN hosts and control galaxies in our sample and are biased towards lower large-scale densities and group virial masses, suggestive that the large-scale environment properties is only relevant to the AGN phenomenon in an indirect way, in the form, e.g. of the morphology-density relation. The small-scale environment, as measured by the frequency and luminosity of close neighbours, was also found to be similar for AGN and control galaxies. However, we find a correlation between the intensity of the non-circular gas motions in AGN hosts and the strength of the tidal field, while the control sample does not present such correlation. Also, AGN hosts with the most intense radial gas motions present larger tidal fields than their control galaxies. These findings indicate that at least a fraction of the AGN hosts in our sample have been triggered by tidal interactions with nearby galaxies.

Rembold, Sandro B.↗

DOE OSTI2024

Velocity reconstruction in the era of DESI and Rubin/LSST. II. Realistic samples on the light cone

Reconstructing the galaxy peculiar velocity field from the distribution of large-scale structure plays an important role in cosmology. On one hand, it gives us an insight into structure formation and gravity; on the other, it allows us to selectively extract the kinetic Sunyaev-Zel’dovich (kSZ) effect from cosmic microwave background maps. In this work, we employ high-accuracy synthetic galaxy catalogs on the light cone to investigate how well we can recover the velocity field when utilizing the three-dimensional spatial distribution of the galaxies in a modern large-scale structure experiment such as the Dark Energy Spectroscopic Instrument (DESI) and the Rubin Observatory Legacy Survey of Space and Time. In particular, we adopt the standard technique used in baryon acoustic oscillation analysis for reconstructing the Zel’dovich displacements of galaxies through the continuity equation, which yields a first-order approximation to their large-scale velocities. We investigate variations in the number density, bias, mask, area, redshift noise, and survey depth, as well as modifications to the settings of the standard reconstruction algorithm. Since our main goal is to provide guidance for planned kSZ analysis between DESI and the Atacama Cosmology Telescope, we apply velocity reconstruction to a faithful representation of DESI spectroscopic and photometric targets. We report the cross-correlation coefficient between the reconstructed and the true velocities along the line of sight. For the DESI Y1 spectroscopic survey, we expect the correlation coefficient to be r ≈ 0.64, while for a photometric survey with δ z /(1+z) = 0.02, as is approximately the case for the Legacy Survey used in the target selection of DESI galaxies, r shrinks by half to r ≈ 0.31. Here, we hope the results in this paper can be used to inform future kSZ stacking studies and other velocity reconstruction analyses planned with the next generation of cosmology experiments.

79 ASTRONOMY AND ASTROPHYSICS↗