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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High-redshift quasars along the main sequence

The 4D Eigenvector 1 empirical formalism (4DE1) and its main sequence (MS) for quasars has emerged as a powerful tool for organising the diversity among quasar populations, as several key observational measures and physical parameters are systematically changing along it. Trends revealed by 4DE1 are very well established to explain all the diverse characteristics seen in low-redshift quasar samples. Nevertheless, the situation is far less clear when dealing with high-luminosity and high-redshift sources. Here, we aim to evaluate the behaviour of our sample of 22 quasars at high redshift (2.2 ≤ z ≤ 3.7) and high luminosity (47.39 ≤ L bol ≤ 48.36) in the context of the 4DE1. Our approach involves studying quasar physics through a spectroscopic exploration of UV and optical emission line diagnostics. We used new observations from the ISAAC instrument at ESO-VLT and primarily from the SDSS to cover the optical and the UV rest-frames, respectively. The emission lines were characterised both via a quantitative parametrisation of the line profiles and a decomposition of the emission line profiles using multicomponent fitting routines. We provide spectrophotometric properties and line profile measurements for Hβ+[O III]λλ4959,5007, as well as Si IVλ1397+O IV]λ1402, C IVλ1549+He IIλ1640, and the 1900 Å blend (including Al IIIλ1860, Si III]λ1892, and C III]λ1909). For six out of the 22 objects, a significantly blueshifted component on the Hβ profile is present. In 14 out of 22 cases, an Hβ outflowing component associated with [O III] is detected. The majority of [O III]λλ4959,5007 emission line profiles show blueshifted velocities higher than 250 km s -1 . We find extremely broad [O III]λλ4959,5007 emission that is comparable to the width of Hβ broad profile in some highly accreting quasars. The [O III]λλ4959,5007 and C IVλ1549 blueshifts show very high amplitudes and a high degree of correlation. The line widths and shifts are correlated for both [O III]λλ4959,5007 and C IVλ1549, suggesting that emission from outflowing gas is providing a substantial broadening effect to both lines. Otherwise, the links between C IVλ1549 centroid velocity at half intensity (c(1/2)), Eddington ratio (L/L Edd ), and bolometric luminosity are found to be in agreement with previous studies of high-luminosity quasars. Our analysis suggests that the behaviour of quasars of very high luminosity all along the main sequence is strongly affected by powerful outflows involving a broad range of spatial scales. The main sequence correlations remain valid at high redshift and high luminosity even if a systematic increase in line width is observed. Scaling laws based on UV Al IIIλ1860 and Hβ emission lines are equally reliable estimators of M BH .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Towards a self-consistent model of the convective core boundary in upper main sequence stars: I. 2.5D and 3D simulations

There is strong observational evidence that the convective cores of intermediate-mass and massive main sequence stars are substantially larger than those predicted by standard stellar-evolution models. However, it is unclear what physical processes cause this phenomenon or how to predict the extent and stratification of stellar convective boundary layers. Convective penetration is a thermal-timescale process that is likely to be particularly relevant during the slow evolution on the main sequence. We use our low-Mach-number S EVEN -L EAGUE H YDRO code to study this process in 2.5D and 3D geometries. Starting with a chemically homogeneous model of a 15 M ⊙ zero-age main sequence star, we construct a series of simulations with the luminosity increased and opacity decreased by the same factor, ranging from 10 3 to 10 6 . After reaching thermal equilibrium, all of our models show a clear penetration layer; its thickness becomes statistically constant in time and it is shown to converge upon grid refinement. The penetration layer becomes nearly adiabatic with a steep transition to a radiative stratification in simulations at the lower end of our luminosity range. This structure corresponds to the adiabatic ‘step overshoot’ model often employed in stellar-evolution calculations. The simulations with the highest and lowest luminosity differ by less than a factor of two in the penetration distance. The high computational cost of 3D simulations makes our current 3D data set rather sparse. Depending on how we extrapolate the 3D data to the actual luminosity of the initial stellar model, we obtain penetration distances ranging from 0.09 to 0.44 pressure scale heights, which is broadly compatible with observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Atmospheric parameters and chemical abundances within 100 pc: a sample of G, K, and M main-sequence stars

ABSTRACT To date, we have access to enormous inventories of stellar spectra that allow the extraction of atmospheric parameters and chemical abundances essential in stellar studies. However, characterizing such a large amount of data is complex and requires a good understanding of the studied object to ensure reliable and homogeneous results. In this study, we present a methodology to measure homogenously the basic atmospheric parameters and detailed chemical abundances of over 1600 thin disc main-sequence stars in the 100 pc solar neighbourhood, using APOGEE-2 infrared spectra. We employed the code tonalli to determine the atmospheric parameters using a prior on $\log {g}$. The $\log {g}$ prior in tonalli implies an understanding of the treated population and helps to find physically coherent answers. Our atmospheric parameters agree within the typical uncertainties (100 K in $\mathrm{T_{eff}}$, 0.15 dex in $\log {g}$ and [M/H]) with previous estimations of ASPCAP and Gaia DR3. We use our temperatures to determine a new infrared colour–temperature sequence, in good agreement with previous works, that can be used for any main-sequence star. Additionally, we used the bacchus code to determine the abundances of Mg, Al, Si, Ca, and Fe in our sample. The five elements (Mg, Al, Si, Ca, Fe) studied have an abundance distribution centred around slightly subsolar values in agreement with previous results for the solar neighbourhood. The over 1600 main-sequence stars’ atmospheric parameters and chemical abundances presented here are useful in follow-up studies of the solar neighbourhood or as a training set for data-driven methods.

López-Valdivia, Ricardo (ORCID:0000000277950018)↗
DOE OSTI2020

Selective hybridization between the main band and the superstructure band in the Bi 2 Sr 2 CaCu 2 O 8 + δ superconductor

High-resolution laser-based angle-resolved photoemission measurements have been carried out on Bi 2 Sr 2 CaCu 2 O 8+δ (Bi2212) and Bi 2 Sr 2–x La x CuO 6+δ (Bi2201) superconductors. Unexpected hybridization between the main band and the superstructure band in Bi2212 is clearly revealed. In the momentum space where one main Fermi surface intersects with one superstructure Fermi surface, four bands are observed instead of two. The hybridization exists in both the superconducting state and the normal state, and in Bi2212 samples with different doping levels. Such a hybridization is not observed in Bi2201. This phenomenon can be understood by considering the bilayer splitting in Bi2212, the selective hybridization of two bands with peculiar combinations, and the altered matrix element effects of the hybridized bands. These observations indicate that the origin of the superstructure bands is intrinsic to the CuO 2 planes. Furthermore, understanding physical properties and superconductivity in Bi2212 should consider the complete Fermi surface topology which involves the main bands, the superstructure bands, and their interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Transcriptome architecture of the three main lineages of agrobacteria

ABSTRACT Agrobacteria are a diverse, polyphyletic group of prokaryotes with multipartite genomes capable of transferring DNA into the genomes of host plants, making them an essential tool in plant biotechnology. Despite their utility in plant transformation, genome-wide transcriptional regulation is not well understood across the three main lineages of agrobacteria. Transcription start sites (TSSs) are a necessary component of gene expression and regulation. In this study, we used differential RNA-seq and a TSS identification algorithm optimized on manually annotated TSS, then validated with existing TSS to identify thousands of TSS with nucleotide resolution for representatives of each lineage. We extend upon the 356 TSSs previously reported in Agrobacterium fabrum C58 by identifying 1,916 TSSs. In addition, we completed genomes and phenotyping of Rhizobium rhizogenes C16/80 and Allorhizobium vitis T60/94, identifying 2,650 and 2,432 TSSs, respectively. Parameter optimization was crucial for an accurate, high-resolution view of genome and transcriptional dynamics, highlighting the importance of algorithm optimization in genome-wide TSS identification and genomics at large. The optimized algorithm reduced the number of TSSs identified internal and antisense to the coding sequence on average by 90.5% and 91.9%, respectively. Comparison of TSS conservation between orthologs of the three lineages revealed differences in cell cycle regulation of ctrA as well as divergence of transcriptional regulation of chemotaxis-related genes when grown in conditions that simulate the plant environment. These results provide a framework to elucidate the mechanistic basis and evolution of pathology across the three main lineages of agrobacteria. IMPORTANCE Transcription start sites (TSSs) are fundamental for understanding gene expression and regulation. Agrobacteria, a group of prokaryotes with the ability to transfer DNA into the genomes of host plants, are widely used in plant biotechnology. However, the genome-wide transcriptional regulation of agrobacteria is not well understood, especially in less-studied lineages. Differential RNA-seq and an optimized algorithm enabled identification of thousands of TSSs with nucleotide resolution for representatives of each lineage. The results of this study provide a framework for elucidating the mechanistic basis and evolution of pathology across the three main lineages of agrobacteria. The optimized algorithm also highlights the importance of parameter optimization in genome-wide TSS identification and genomics at large.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Real-Time Edge AI for Distributed Systems (READS): Progress on Beam Loss De-Blending for the Fermilab Main Injector and Recycler

The Fermilab Main Injector enclosure houses two accelerators, the Main Injector and Recycler. During normal operation, high intensity proton beams exist simultaneously in both. The two accelerators share the same beam loss monitors (BLM) and monitoring system. Beam losses in the Main Injector enclosure are monitored for tuning the accelerators and machine protection. Losses are currently attributed to a specific machine based on timing. However, this method alone is insufficient and often inaccurate, resulting in more difficult machine tuning and unnecessary machine downtime. Machine experts can often distinguish the correct source of beam loss. This suggests a machine learning (ML) model may be producible to help de-blend losses between machines. Work is underway as part of the Fermilab Real-time Edge AI for Distributed Systems Project (READS) to develop a ML empowered system that collects streamed BLM data and additional machine readings to infer in real-time, which machine generated beam loss.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Design Considerations and Operational Features of the Collimators for the Fermilab Main Injector and Recycler

The Fermilab Main Injector system delivers 700 kW of 120 GeV Proton beam for neutrino experiments. Since 2013 this has been achieved using slip stacking accumulation in the Recycler with up to 12 batches from the Fermilab Booster per Main Injector Ramp Cycle. To control activation from beam loss, collimation systems in the Booster to Recycler transfer line, in the Recycler and in the Main Injector are employed. Residual radiation measurements around the ring with detailed studies at the collimators are required to maintain adequate loss control. We will review design considerations, operational parameters and activation results for more than ten years of operation. Simulations with MARS15 are used to explore the activation rates and the isotopic composition of the resulting activation.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Fermilab Main Injector and Recycler Operations in the Megawatt Era

Significant upgrades to Fermilab’s accelerator complex have accompanied the development of LBNF (the Long Baseline Neutrino Facility) and DUNE (Deep Underground Neutrino Experiment). These improvements will facilitate 1-MW operation of the NuMI (Neutrinos at the Main Injector) beam for the first time this year through changes to the Recycler slip-stacking procedure and shortening of the Main Injector ramp time. The modifications to the Recycler slip-stacking and efforts to reduce the duration of the Main Injector ramp will be discussed. Additionally, details regarding further shortening of the ramp time and the subsequent impacts on future accelerator operations are presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Activation of Hydrogen Under Ambient Conditions by Main Group Molecules

The major goals as indicated by the title are the detailed understanding of the interactions of main group compounds with small molecules such as H 2 , NH 3 , CO, C 2 H 4 and related species as well as the development of catalysts based on inexpensive main group (13 or 14) elements such as aluminum or silicon. A key feature of the compounds studied is the existence of Lewis acidic and basic sites at the main group element such that the small molecules become activated in a synergistic manner under relatively mild conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

An Evaluation of Main Content Extraction Libraries in Java and Python

Main content extraction is a method to isolate the relevant content from a webpage and remove extraneous content such as advertisements and sidebars. There are many different Python and Java libraries that attempt to perform main content extraction through various algorithms. Due to the differing structures between web pages, there is no “perfect” way to accomplish this task, motivating an evaluation of different main content extraction libraries.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Resource Characterization for Community Scale Tidal Instream Energy in Maine [Abstract]

Coastal and island communities in Maine are seeking solutions to increase the resiliency of their electrical grid while also reducing their carbon footprint. Unfortunately, many community scale tidal resources identified on the Maine coast have not been rigorously evaluated; previous studies identified numerous hot spots but left many of them unevaluated or under evaluated (e.g., only power density was assessed in many cases). The primary objective of this TEAMER project is to evaluate selected community scale tidal instream resources to demonstrate their potential for contributing to the renewable energy needs of nearby coastal communities. The methods developed in this study will enable the total community scale tidal instream energy resource along the Maine coast to be evaluated in follow-on studies. The study will also enable turbine developers to understand how to scale and optimize their devices for deployment in turbine farms at community scale sites. Data from the study will be shared publicly through MHKDR or relevant community websites.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

DESI Survey Validation Data in the COSMOS/Hyper Suprime-Cam Field: Cool Gas Trace Main-sequence Star-forming Galaxies at the Cosmic Noon

We present the first result in exploring the gaseous halo and galaxy correlation using the Dark Energy Spectroscopic Instrument survey validation data in the Cosmic Evolution Survey (COSMOS) and Hyper Suprime-Cam field. We obtain multiphase gaseous halo properties in the circumgalactic medium by using 115 quasar spectra (signal-to-noise ratio > 3). We detect Mg ii absorption at redshift 0.6 < z < 2.5, C iv absorption at 1.6 < z < 3.6, and H i absorption associated with the Mg ii and C iv. By crossmatching the COSMOS2020 catalog, we identify the Mg ii and C iv host galaxies in 10 quasar fields at 0.9< z < 3.1. We find that within the impact parameter of 250 kpc, a tight correlation is seen between the strong Mg ii equivalent width and the host galaxy star formation rate. The covering fraction f c of the strong Mg ii selected galaxies, which is the ratio of the absorbing galaxy in a certain galaxy population, shows significant evolution in the main-sequence galaxies and marginal evolution in all the galaxy populations within 250 kpc at 0.9 < z < 2.2. The f c increase in the main-sequence galaxies likely suggests the coevolution of strong Mg ii absorbing gas and the main-sequence galaxies at the cosmic noon. Furthermore, Mg ii and C iv absorbing gas is detected out of the galaxy virial radius, tentatively indicating the feedback produced by the star formation and/or the environmental effects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Fermilab Main Injector and Recycler Operations in the Megawatt Era

Significant upgrades to Fermilab's accelerator complex have accompanied the development of LBNF (the Long Baseline Neutrino Facility) and DUNE (Deep Underground Neutrino Experiment). These improvements will facilitate 1-MW operation of the NuMI (Neutrinos at the Main Injector) beam for the first time this year through changes to the Recycler slip-stacking procedure and shortening of the Main Injector ramp time. The modifications to the Recycler slip-stacking and efforts to reduce the duration of the Main Injector ramp will be discussed. Additionally, details regarding further shortening of the ramp time and the subsequent impacts on future accelerator operations are presented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

SPT-3G D1: Maps of the millimeter-wave sky from 2019 and 2020 observations of the SPT-3G Main field

Maps of the sky in millimeter wavelengths contain rich information on cosmology through anisotropies of the cosmic microwave background (CMB). Creating multifrequency sky maps of anisotropies in the $I$, $Q$, and $U$ Stokes parameters is one of the first steps of CMB cosmology analyses. In this work, we describe the production and validation of a set of sky maps from the South Pole Telescope's third-generation camera, SPT-3G. The maps are from data taken in frequency bands centered at 95, 150, and 220 GHz and taken during the first two years, 2019 and 2020, of the SPT-3G Main survey, which covers $4\%$ of the sky. We applied high-pass filters to time series of individual detectors and binned the filtered time series samples into map pixels. After that, we calibrated and cleaned the maps to reduce known systematic errors. In addition, we searched for other systematic errors through null tests and mitigated a significant systematic error detected therein. The white noise levels of the full-depth maps of the $I$ Stokes parameter are $5.4$, $4.4$, and $16.2$$\mathrm{μK}$-$\mathrm{arcmin}$ in the 95, 150, and 220 GHz bands, respectively, and $8.4$, $6.6$, and $25.8$$\mathrm{μK}$-$\mathrm{arcmin}$ for $Q/U$. These maps are the deepest to date used for measurements of mid-to-high-$\ell$ primary temperature and $E$-mode polarization CMB anisotropies, and reconstructions of the CMB gravitational lensing potential. We make these maps and supporting data products publicly accessible.

Quan, W. [Argonne (main); Chicago U., EFI; Chicago↗
DOE OSTI2025

Focal Fisheries Requirements for Floating Offshore Wind Co-Design in the Gulf of Maine and the Mid-Atlantic Bight

Floating offshore wind is an emerging renewable energy technology in U.S. waters and globally. Floating offshore wind technology is more complex than fixed-bottom installations, requiring platforms, moorings, and power cables that take up a larger footprint, both in the water column and along the seafloor. This complexity affects opportunities for compatibility between floating offshore wind and other ocean users, particularly fishermen, whose fishing gear also takes up space in the water column and along the seafloor. This report describes the results of semi-structured interviews with key fishing informants from two focal fisheries: (1) Gulf of Maine lobster (fixed gear) and (2) Mid-Atlantic Bight pelagic longline and recreational tuna (mobile gear). A total of six fishermen were interviewed: four from the Gulf of Maine and two from the Mid-Atlantic Bight. The interviews were designed to elicit information and opinions on the co-design of marine space for particular fishing gear and floating offshore wind infrastructure. Here, we provide an overview of participant fishing experience, the spatial requirements of specific gear types, self-reported comfort levels in different fishing scenarios, and concerns about accessing and operating within floating offshore wind arrays. This summary of fishermen s concerns around floating offshore wind infrastructure can guide future co-existence conversations.

17 WIND ENERGY↗
DOE OSTI2026

Galaxy Clusters Selected via the Sunyaev-Zel'dovich Effect in 5 year data from the SPT-3G Main Survey

We report a new galaxy cluster catalog, selected using the thermal Sunyaev-Zel'dovich (SZ) effect, from 5 years of observations of the SPT-3G Main field. Drawn from arcminute-resolution data with white noise levels of 3.2, 2.5, and 8.9 $μ$K-arcmin at 95, 150, and 220 GHz, respectively, the sample consists of 8,892 cluster candidates detected above significance $ξ=4$, with an expected purity of $>82\%$ (4,480 at $ξ\ge5$ with purity $>99\%$). Using optical and infrared data we have confirmed 7,190 candidates as clusters. The sample spans a mass range $7.9 \times 10^{13}M_\odot/h_{70}< M_\textrm{500c} < 1.6 \times 10^{15}M_\odot/h_{70}$ with a median mass of $1.65 \times 10^{14}M_\odot/h_{70}$, and a redshift range of $0.0371$ and 271 at $z>1.5$. Compared to previous SZ cluster samples from South Pole Telescope and Atacama Cosmology Telescope data, the SPT-3G sample is highly consistent in mass and redshift but is significantly deeper, with per-cluster detection signal-to-noise 2-4 times higher and a cluster density of 4.5 confirmed clusters/deg$^2$. We cross match with eRASS1 cluster and point source catalogs, finding 1,279 and 1,319 matches, respectively. The SPT and eROSITA cluster mass estimates are in relatively good agreement. We perform a series of validation checks using both internal data splits and comparisons to external samples. These tests show increasing correlated (dusty) emission with redshift, with a $\sim17\times$ larger 220 GHz temperature increment for clusters at $z\sim1.5$ than $z\sim0.25$, but only weak evidence for correlated synchrotron emission. Finally, a number of clusters are flagged as candidate strong gravitational lenses.

Bleem, L. E. [Argonne (main); Chicago U., KICP; Ch↗
DOE OSTI2020

A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors**

The COVID-19 pathogen, SARS-CoV-2, requires its main protease (SC2M Pro ) to digest two of its translated long polypeptides to form a number of mature proteins that are essential for viral replication and pathogenesis. Inhibition of this vital proteolytic process is effective in preventing the virus from replicating in infected cells and therefore provides a potential COVID-19 treatment option. Guided by previous medicinal chemistry studies about SARS-CoV-1 main protease (SC1M Pro ), we have designed and synthesized a series of SC2M Pro inhibitors that contain β-(S-2-oxopyrrolidin-3-yl)-alaninal (Opal) for the formation of a reversible covalent bond with the SC2M Pro active-site cysteine C145. All inhibitors display high potency with K i values at or below 100 nM. The most potent compound, MPI3, has as a K i value of 8.3 nM. Crystallographic analyses of SC2M Pro bound to seven inhibitors indicated both formation of a covalent bond with C145 and structural rearrangement from the apoenzyme to accommodate the inhibitors. Virus inhibition assays revealed that several inhibitors have high potency in inhibiting the SARS-CoV-2-induced cytopathogenic effect in both Vero E6 and A549/ACE2 cells. Two inhibitors, MPI5 and MPI8, completely prevented the SARS-CoV-2-induced cytopathogenic effect in Vero E6 cells at 2.5-5 μM and A549/ACE2 cells at 0.16-0.31 μM. Their virus inhibition potency is much higher than that of some existing molecules that are under preclinical and clinical investigations for the treatment of COVID-19. Our study indicates that there is a large chemical space that needs to be explored for the development of SC2M Pro inhibitors with ultra-high antiviral potency.

3C-like protease↗
DOE OSTI2024

Approximation of ice phenology of Maine lakes using Aqua MODIS surface temperature data

Studies of lake ice phenology have historically relied on limited in situ data. Relatively few observations exist for ice out and fewer still for ice in, both of which are necessary to determine the temporal extent of ice cover. Satellite data provide an opportunity to better document patterns of ice phenology across landscapes and relate them to the climatological drivers behind changing ice phenology. We developed a model, the Cumulative Sum Method (CSM), that uses daytime and nighttime surface temperature observations from the Moderate Resolution Imaging Spectroradiometer (MODIS) sensor on board the Earth-observing Aqua satellite to approximate ice in (the onset of ice cover) and ice out from training datasets of 13 and 58 Maine lakes, respectively, during the 2002/2003 through 2017/2018 ice seasons. Ice in was signaled by reaching a threshold of cumulative negative degrees following the first day of the season below 0°C. Ice out was signaled by reaching a threshold of cumulative positive degrees following the first day of the year above 0°C. The comparison of observed and remotely sensed ice-in dates showed relative agreement with a correlation coefficient of 0.71 and a mean absolute error (MAE) of 9.8 days. Ice-out approximations had a correlation coefficient of 0.67 and an MAE of 8.8 days. Lakes smaller in surface area and nearer the Atlantic coast had the greatest error in approximation. Application of the CSM to 20 additional lakes in Maine produced a comparable ice-out MAE of 8.9 days. Ice-out model performance was weaker for the warmest years; there was a larger MAE of 12.0 days when the model was applied to the years 2019–2023 for the original 58 lakes. The development of this model, which utilizes daily satellite data, demonstrates the promise of remote sensing for quantifying ice phenology over short, temporal scales, and wider geographic regions than can be observed in situ, and allows exploration of the influence of surface temperature patterns on the process and timing of ice in and ice out.

54 ENVIRONMENTAL SCIENCES↗