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DOE OSTI2021

Radio Morphology of Red Geysers

We present 150 MHz, 1.4 GHz, and 3 GHz radio imaging (LoTSS, FIRST, and VLASS) and spatially resolved ionized gas characteristics (SDSS IV-MaNGA) for 140 local ($z$ < 0.1) early-type red geyser galaxies. These galaxies have a low star formation activity (with a star formation rate, SFR, ~ 0.01 $M$ ⊙ yr -1 ) but show unique extended patterns in spatially resolved emission-line maps that have been interpreted as large-scale ionized winds driven by active galactic nuclei (AGN). In this work, we confirm that red geysers host low-luminosity radio sources ($L$ 1.4GHz ~ 10 22 $WHz$ -1 ). Out of 42 radio-detected red geysers, 32 are spatially resolved in LoTSS and FIRST, with radio sizes varying between ~5–25 kpc. Three sources have radio sizes exceeding 40 kpc. A majority display a compact radio morphology and are consistent with either low-power compact radio sources (FR0 galaxies) or radio-quiet quasars. They may be powered by small-scale AGN-driven jets that remain unresolved at the current 5'' resolution of radio data. The extended radio sources, not belonging to the "compact" morphological class, exhibit steeper spectra with a median spectral index of -0.67, indicating the dominance of lobed components. Furthermore, the red geysers hosting extended radio sources also have the lowest specific SFRs, suggesting they either have a greater impact on the surrounding interstellar medium or are found in more massive halos on average. The degree of alignment of the ionized wind cone and the extended radio features are either 0° or 90°, indicating possible interaction between the interstellar medium and the central radio AGN.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Ionizing radiation from AGNs at z > 3.3 with the Subaru Hyper Suprime-Cam Survey and the CFHT Large Area U-band Deep Survey (CLAUDS)

ABSTRACT We use deep and wide imaging data from the CFHT Large Area U-band Deep Survey (CLAUDS) and the Hyper Suprime-Cam Subaru Strategic Program (HSC-SSP) to constrain the ionizing radiation (Lyman Continuum, LyC) escape fraction from active galactic nuclei (AGNs) at z ∼ 3–4. For 94 AGNs with spectroscopic redshifts at 3.3 < z < 4.0, we use their U/i-band flux ratios to estimate LyC transmission of individual AGNs. The distribution of their LyC transmission shows values lower than the range of LyC transmission values for IGM of the same redshift range, which suggests that LyC escape fraction of AGNs at z > 3.3 is considerably lower than unity in most cases. We do not find any trend in LyC transmission values depending on their UV luminosities. Based on the photometry of stacked images we find the average flux ratio of LyC and non-ionizing UV photons escaping from the objects (fLyC/fUV)out = 0.182 ± 0.043 for AGNs at 3.3 < z < 3.6, which corresponds to LyC escape fraction fesc = 0.303 ± 0.072 if we assume a fiducial intrinsic SED of AGN. Based on the estimated LyC escape fraction and the UV luminosity function (UVLF) of AGNs, we argue that UV-selected AGNs’ contribution to the LyC emissivity at the epoch is minor, although the size of their contribution largely depends on the shape of the UVLF.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

High Mg activation in implanted GaN by high temperature and ultrahigh pressure annealing

Not provided.We demonstrate high p-type conductivity and hole concentrations >10 18 cm -3 in Mg-implanted GaN. The implantation was performed at room temperature and by post-implantation annealing at 1 GPa of N 2 and in a temperature range of 1200–1400 °C. The high pressure thermodynamically stabilized the GaN surface without the need of a capping layer. We introduce a “diffusion budget,” related to the diffusion length, as a convenient engineering parameter for comparing samples annealed at different temperatures and for different times. Although damage recovery, as measured by XRD, was achieved at relatively low diffusion budgets, these samples did not show p-type conductivity. Further analyses showed heavy compensation by the implantation-induced defects. Higher diffusion budgets resulted in a low Mg ionization energy (~115 meV) and almost complete Mg activation. For even higher diffusion budgets, we observed significant loss of Mg to the surface and a commensurate reduction in the hole conductivity. High compensation at low diffusion budgets and loss of Mg at high diffusion budgets present a unique challenge for shallow implants. A direct control of the formation of compensating defects arising from the implantation damage may be necessary to achieve both hole conductivity and low Mg diffusion.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Double Doping of Semiconducting Polymers Using Ion-Exchange with a Dianion

The interactions between counterions and electronic carriers in electrically doped semiconducting polymers are important for delocalization of charge carriers, electronic conductivity, and thermal stability. The introduction of a dianions in semiconducting polymers leads to double doping where there is one counterion for two charge carriers. Double doping minimizes structural distortions, but changes the electrostatic interactions between the carriers and counterions. Polymeric ionic liquids (PIL) with croconate dianions are helpful to investigate the role of the counterion in p-type semiconducting polymers. PILs prevent diffusion of the cation into the semiconducting polymers during ion exchange. The redox-active croconate dianions undergo ion exchange with doped semiconducting polymers depending on their ionization energy. Croconate dianions are found to reduce doped films of poly(3-hexyl thiophene), but undergo ion exchange with a polythiophene with tetraethylene glycol side chains, P(g 4 2T-T), that has a lower ionization energy. The croconate dianion maintains crystalline order in P(g 4 2T-T) and leads to a lower activation energy for the electrical conductivity than PF 6 – counterions. The control of the doping level with croconate allows optimization of the thermoelectric performance of the semiconducting polymer. Finally, the thermal stability of the doped films of P(g 4 2T-T) is found to depend strongly on the nature of the counterion.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Unusual zwitterionic catalytic site of SARS–CoV-2 main protease revealed by neutron crystallography

The main protease (3CL M pro ) from SARS–CoV-2, the etiological agent of COVID-19, is an essential enzyme for viral replication. 3CL M pro possesses an unusual catalytic dyad composed of Cys 145 and His 41 residues. A critical question in the field has been what the protonation states of the ionizable residues in the substrate-binding active-site cavity are; resolving this point would help understand the catalytic details of the enzyme and inform rational drug development against this pernicious virus. Here, we present the room-temperature neutron structure of 3CL M pro , which allowed direct determination of hydrogen atom positions and, hence, protonation states in the protease. We observe that the catalytic site natively adopts a zwitterionic reactive form in which Cys 145 is in the negatively charged thiolate state and His 41 is doubly protonated and positively charged, instead of the neutral unreactive state usually envisaged. The neutron structure also identified the protonation states, and thus electrical charges, of all other amino acid residues and revealed intricate hydrogen-bonding networks in the active-site cavity and at the dimer interface. The fine atomic details present in this structure were made possible by the unique scattering properties of the neutron, which is an ideal probe for locating hydrogen positions and experimentally determining protonation states at near-physiological temperature. Our observations provide critical information for structure-assisted and computational drug design, allowing precise tailoring of inhibitors to the enzyme's electrostatic environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

RCT: 2.01 Radiological Documentation [Slides]

10 CFR 835 establishes radiation protection standards, limits, and program requirements for protecting individuals from ionizing radiation resulting from the conduct of DOE activities. It is important to maintain the proper documentation to ensure that these standards and requirements are being met. An RCT plays a vital role in supporting these requirements through proper documentation.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2023

RCT Module: 2.01 Radiological Documentation Course 52130 [Slides]

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2024

R&D for LAr + Xe + photosensitive dopants

LArTPCs are the technology of choice for current and future neutrino experiments, including those expected to make eagerly awaited measurements of accelerator neutrino oscillations in the coming decade. This technology provides a large active volume and sensitivity to GeV signals like accelerator neutrinos all the way down to 10s of MeV, covering part of the supernova neutrino spectrum.Expanding the reach of LArTPCs to below the 10 MeV range would substantially enhance the flagship analyses of experiments like DUNE, while potentially enabling the physics of solar neutrinos, dark matter searches, and neutrinoless double beta decay searches.We outline the R&D pathway for photosensitive dopants, whose introduction into the LAr active medium, has the potential to substantially increase ionization yields of LAr detectors and enable the detection of low energy signals in large LArTPCs. This R&D program will demonstrate the feasibility and impacts of introducing doped LAr into current and future neutrino detectors at the kTon scale including the Xenon + photosensitive doping strategy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

RCT Module: 2.01 Radiological Documentation [Slides]

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2024

Electromagnetic Radioisotope Separator for Methods Development, Testing, and Training

The major goal of the project is the construction and operation of an electromagnetic isotope separator. Included in that goal is the construction and installation of a high throughput surface ion source, with specific applicability to the Lanthanides. The surface ion source features a single-piece titanium crucible insert that mates with a tantalum hot surface ionizer. The titanium crucible, which does not readily activate, can be loaded with samarium and then irradiated simultaneously, greatly reducing operator dose.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2023

Monitoring the readout temperature in the ICARUS TPC (2023 Italian Students Program Final Report)

Being a Liquid Argon Time Projection Chamber (LAr-TPC) detector, ICARUS exploits a series of three parallel wire planes to measure and collect the ionization charge coming from an event inside the active volume. The wires are read out by A2795 custom boards, arranged in crates located on top of the two liquid Argon vessels. Each board is provided with two temperature sensors that allow temperature monitoring while the experiment is running: this is key in order to ensure data reliability and maintain hardware in safe conditions. Moreover, temperature-related problems may force unplanned shutdowns that result in losing valuable time for the experiment to run. In this work we are discussing the characterization of the ICARUS TPC board temperatures and the system we implemented in order to monitor them effectively. Among the tools used, Grafana results in a valid application for both displaying temperature data and sending alerts to the shifters whenever a pathological situation occurs.

42 ENGINEERING↗

DOE OSTI2024

Properties of a fading AGN from SDSS-IV MaNGA

ABSTRACT We identify a fading AGN SDSS J220141.64+115124.3 from the internal Product Launch-11 (MPL-11) in Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey. The central region with a projected radius of $\sim$2.4 kpc is characterized as LINER-like line ratios while the outskirts extended to $\sim$15 kpc show Seyfert-like line ratios. The ${\rm{[O {\small III}]}}$$\lambda$5007 luminosity of the Seyfert regions is a factor of 37 (2) higher than the LINER regions without (with) dust attenuation correction, suggesting that the AGN activity decreases at least $\sim$8 $\times$ 10$^3$ yr ($\sim$2.4 kpc/light-speed) ago. We model the emission line spectra in the central region with double Gaussian components (a narrow core and a broad wing) and analyse the properties of each component. The narrow core component mostly co-rotates with the stellar disc, whereas the broad wing component with a median of the velocity dispersion $\sim$300 km s$^{-1}$ is related to a wind outflow. The kinematic position angle (PA) of the ionized gas shows an $\sim 20^{\circ }$ twist from the galaxy centre to 1.5 effective radius. The median of the PA difference between the gas and stellar components is as large as $\sim 50^{\circ }$ within 0.4 effective radius. The tidal feature in DESI image and star–gas misalignment suggest this galaxy is a merger remnant. Combining all these observational results as well as public available X-ray and MIR luminosities, we confirm this is a fading AGN, the merger process kick-started the central engine to quasar phase which ionized gas composed of tidal debris, and now the activity of the central black hole decreases. The discontinuity in ${\rm{[O {\small III}]}}$$\lambda$5007 flux and EQW maps is due to multiple AGN outbursts triggered by merger remnant gas inflows.

Mo, Hao (ORCID:0000000234430768)↗

DOE OSTI2026

Operation of a Modular 3D-Pixelated Liquid Argon Time-Projection Chamber in a Neutrino Beam

The 2x2 Demonstrator, a prototype for the Deep Underground Neutrino Experiment (DUNE) liquid argon (LAr) Near Detector, was exposed to the Neutrinos from the Main Injector (NuMI) neutrino beam at Fermi National Accelerator Laboratory (Fermilab). This detector is a prototype of a new modular design for a liquid argon time-projection chamber (LArTPC), comprising a two-by-two array of four modules, each further segmented into two optically isolated LArTPCs. The 2x2 Demonstrator features a number of pioneering technologies, including a low-profile resistive field shell to establish drift fields, native 3D ionization pixelated imaging, and a high-coverage dielectric light readout system. The 2.4-tonne active mass detector is flanked upstream and downstream by supplemental solid-scintillator tracking planes, repurposed from the MINERvA experiment, which track ionizing particles exiting the argon volume. The antineutrino beam data collected by the detector over a 4.5 day period in 2024 include over 30,000 neutrino interactions in the LAr active volume—the first neutrino interactions reported by a DUNE detector prototype. During its physics-quality run, the 2x2 Demonstrator operated at a nominal drift field of 500 V/cm and maintained good LAr purity, with a stable electron lifetime of approximately 1.25 ms. This paper describes the detector and supporting systems, summarizes the installation and commissioning, and presents the initial validation of collected NuMI beam and off-beam self-triggers. In addition, it highlights observed interactions in the detector volume, including candidate muon antineutrino events.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Direct cross-section measurement of the weak r -process Sr 88 ( α , n ) Zr 91 reaction in ν -driven winds of core-collapse supernovae

About half of the heavy elements beyond iron are known to be produced by the rapid neutron capture process, known as the r process. However, the astrophysical site producing the r process is still uncertain. Chemical abundances observed in several cosmic sites indicate that different mechanisms should be at play. For instance, the abundances around silver measured in a subset of metal-poor stars indicate the presence of a weak r process. This process may be active in neutrino-driven winds of core collapse supernovae where (α,n) reactions dominate the synthesis of Ζ ≈ 40 elements in the expelled materials. Scarcely measured, the rates of (α,n) reactions are determined from statistical Hauser-Feshbach calculations with α-optical-model potentials, which are still poorly constrained. Further, the uncertainties of the (α,n) reaction rates therefore make a significant contribution to the uncertainties of the abundances determined from stellar modeling. In this work, the 88 Sr (α,n)⁢ 91 Zr reaction which impacts the weak r-process abundances has been probed at astrophysics energy for the first time; directly measuring the total cross sections at astrophysical energies of 8.37–13.09 MeV in the center of mass (3.8–7.5 GK). Two measurements were performed at ATLAS with the electrically segmented ionization chamber MUSIC, in inverse kinematics, while following the active target technique. The cross sections of this α-induced reaction on 88 Sr, located at the shell closure N = 50, have been found to be lower than expected, by a factor of 3, despite recent statistical calculations validated by measurements on neighboring nuclei. This result encourages more experimental investigations of (α,n) reactions, at Ν = 50 and towards the neutron-rich side, to further test the predictive power and reliability of such calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Experiments with a prototype titanium hot cavity surface ionization source intended for electromagnetic separation of radioactive samarium and other lanthanide elements

This paper reports experimental results of a prototype titanium surface ionization source. For the first time, a lanthanide ion beam has been produced with a surface ionizer composed completely of titanium metal. Titanium does not readily activate with neutron irradiation. This offers the potential for inserting an ion source made of titanium directly into a reactor with a pre-loaded non-radioactive lanthanide target. This seamlessly integrates target irradiation with isotope separation, eliminating post irradiation sample manipulation. Samarium ion beam currents up to 960 nA have been produced in an off-line test bench equipped with rudimentary beam optics. This is a crucial step toward the development of an ionization source adopted for the electromagnetic isotope separator (EMIS) facility, which has been designed for high throughput separations of radioactive 153 Sm and other lanthanides of interest in the field of nuclear medicine. The ion current and important factors affecting the performance of the ion source, such as the ionizer temperature and thermal gradient, are discussed. Lastly, the experimental results are presented together with a discussion of future modifications to optimize the overall surface ionization source performance.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2025

Laboratory Measurements of n >= 3 K-shell Transition Energies of Sulfur Ions from F-like S viii to Li-like S xiv

Inner-shell transitions are ubiquitous in nonequilibrium collisionally ionized plasmas, such as supernova remnants, and in photoionized plasmas, such as outflows from active galactic nuclei and X-ray binaries. Inner-shell X-ray emission can help determine key parameters of these systems, such as ionization time, τ, and ionization parameter, ξ. Despite their importance, only theoretical inner-shell transition energies are available for many ions. To provide experimental benchmarks, we have measured the dominant n → 1 K-shell transitions of sulfur ions where n ≥ 3 from Li-like S xiv to F-like S viii using LLNL’s SuperEBIT electron beam ion trap and the NASA/GSFC EBIT Calorimeter Spectrometer (ECS). We identify over 30 spectral features and measure their energies with uncertainties in the ∼0.1–1 eV range. We compare these results to Flexible Atomic Code (FAC) and multireference Møller–Plesset (MR-MP) calculations and find differences between theory and experiment of ∼1 eV for FAC and <0.5 eV for most MR-MP calculations. We also compare these results to two widely used atomic databases, AtomDB and CHIANTI, and find discrepancies as high as 7 eV. Furthermore, many transitions are missing from these databases despite being prominent in our data.

Atomic data benchmarking↗

DOE OSTI2020

Arp 70: an interacting galaxy with extreme outflows

ABSTRACT We analysed a Fabry–Pérot (FP) cube of the interacting pair of galaxies Arp 70, which was obtained from the CeSAM public repository of FP data. On the larger galaxy Arp 70b, we detected the spectral signature of two different outflows, one located in the centre and the other associated with a giant H ii region in the arm region. The central outflow is especially prominent, with the flux of the secondary peaks in the emission-line profiles due to the outflowing gas being similar to that of the main peak. We used an archive fibre spectrum from SDSS to confirm this detection in H α as well as in the [N ii] line and, in addition, to perform diagnostics on the nature of the ionization. The emission at the centre is consistent with a low-ionization nuclear emission-line region and a weak active galactic nucleus. Using the spatial distribution of the profiles in the FP cube, we estimated the shape of the outflow which is consistent with two cones of expanding material, one approaching and the other receding from us, and used this to estimate the physical parameters of the outflow, finding energies of order 1057 erg and masses of order 108 M⊙. On the giant H ii region, we found a very large expanding superbubble with a diameter of ∼5 kpc. The bubble has an energy of order 1054 erg and a mass of about 4 × 107 M⊙. We discuss the possible origins for both of these features and whether they could be associated with the interaction between the galaxies.

Camps-Fariña, A.↗

DOE OSTI2023

Optimized purification methods for metallic contaminant removal from directly recycled Li-ion battery cathodes

Metallic contaminants pose a significant challenge to the viability of directly recycling Li-ion batteries. To date, few strategies exist to selectively remove metallic impurities from mixtures of shredded end-of-life material (black mass; BM) without concurrently damaging the structure and electrochemical performance of the target active material. We herein present tailored methods to selectively ionize two major contaminants—Al and Cu—while retaining a representative cathode (LiNi 0.33 Mn 0.33 Co 0.33 O 2 ; NMC-111) intact. This BM purification process is conducted at moderate temperatures in a KOH-based solution matrix. We rationally evaluate approaches to increase both the kinetic corrosion rate and the thermodynamic solubility of Al 0 and Cu 0 , and evaluate the impact of these treatment conditions on the structure, chemistry, and electrochemical performance of NMC. Specifically, we explore the impacts of chloride-based salts, a strong chelating agent, elevated temperature, and sonication on the rate and extent of contaminant corrosion, while concurrently evaluating the effects on NMC. The reported BM purification process is then demonstrated on samples of “simulated BM” containing a practically relevant 1 wt% concentration of Al or Cu. Increasing the kinetic energy of the purifying solution matrix through elevated temperature and sonication accelerates the corrosion of metallic Al and Cu, such that ∼100% corrosion of 75 μm Al and Cu particles is achieved within 2.5 hr. Further, we determine that effective mass transport of ionized species critically impacts the efficacy of Cu corrosion, and that saturated Cl – hinders rather than accelerates Cu corrosion by increasing solution viscosity and introducing competitive pathways for Cu surface passivation. The purification conditions do not induce bulk structural damage to NMC, and electrochemical capacity is maintained in half-cell format. Testing in full cells suggests that a limited quantity of residual surface species are present after treatment, which initially disrupt electrochemical behavior at the graphite anode but are subsequently consumed. Process demonstration on simulated BM suggests that contaminated samples—which prior to treatment show catastrophic electrochemical performance—can be recovered to pristine electrochemical capacity. The reported BM purification method offers a compelling and commercially viable solution to address contamination, particularly in the “fine” fraction of BM where contaminant sizes are on the same order of magnitude as NMC and where traditional separation approaches are unfeasible. Thus, this optimized BM purification technique offers a pathway towards viable direct recycling of BM feedstocks that would otherwise be unusable.

25 ENERGY STORAGE↗