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At least 127 records · Page 7

COG11.3 Abstract

COG is a high-resolution code for the Monte Carlo simulation of coupled particle transport in arbitrary3-D geometry. COG will transport neutrons, protons, deuterons, alpha particles with energies up to hundreds of GeV, and photons with energy ranges limited by the available cross section sets and physics models. Electrons can be transported via the EGS5 electron transport kernel, electrons can also be transported. The COG code is a significant upgrade from earlier Monte Carlo transport codes and has been written specifically to makes it more versatile, accurate, and easy to use. COG has provisions for calculating deep penetration (shielding) problems, criticality problems, and neutron activation problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Annual Summary Report for the Remote-Handled Low-Level Waste Disposal Facility—FY2021

This Fiscal Year (FY) 2021 annual summary report (ASR) documents the continued adequacy of the performance assessment (PA), the composite analysis (CA) and associated operating disposal-authorization statement (ODAS) technical basis documents for the Remote Handled (RH) Low-Level Waste (LLW) Disposal Facility at Idaho National Laboratory. Annual review of the adequacy of the PA and CA for the RHLLW Disposal Facility ensures that conclusions of the analyses remain valid in accordance with requirements of Department of Energy (DOE) Order 435.1, “Radioactive Waste Management.” In FY 2021, no significant operational changes or other activities occurred that would cause deviation from the assumptions in the PA and CA pertaining to disposal geometry, verification of waste characteristics, tracking disposal inventories against total limits, facility closure design, or institutional controls. Sixteen total waste-canister shipments were received at the RHLLW Disposal Facility, and 16 total waste canisters were emplaced.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Annual Summary Report for the Remote-Handled Low-Level Waste Disposal Facility—FY 2022

This Fiscal Year (FY) 2022 annual summary report (ASR) documents the continued adequacy of the performance assessment (PA), the composite analysis (CA) and associated operating disposal-authorization statement (ODAS) technical-basis documents for the Remote-Handled (RH) Low-Level Waste (LLW) Disposal Facility at Idaho National Laboratory. Annual review of the adequacy of the PA and CA for the RHLLW Disposal Facility ensures that conclusions of the analyses remain valid in accordance with requirements of Department of Energy (DOE) Order 435.1, “Radioactive Waste Management.” In FY 2022, no significant operational changes or other activities occurred that would cause deviation from the assumptions in the PA and CA pertaining to disposal geometry, verification of waste characteristics, tracking disposal inventories against total limits, facility-closure design, or institutional controls. Fifteen waste canister shipments were received at the RHLLW Disposal Facility, and 15 waste canisters were emplaced in disposal vaults.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Annual Summary Report for the Remote-Handled Low-Level Waste Disposal Facility—FY 2023

This Fiscal Year (FY) 2023 annual summary report (ASR) documents the continued adequacy of the performance assessment (PA), the composite analysis (CA) and associated operating disposal-authorization statement (ODAS) technical-basis documents for the Remote-Handled (RH) Low-Level Waste (LLW) Disposal Facility at Idaho National Laboratory. Annual review of the adequacy of the PA and CA for the RHLLW Disposal Facility ensures that conclusions of the analyses remain valid in accordance with requirements of Department of Energy (DOE) Order 435.1, “Radioactive Waste Management.” In FY 2023, no significant operational changes or other activities occurred that would cause deviation from the assumptions in the PA and CA pertaining to disposal geometry, verification of waste characteristics, tracking disposal inventories against total limits, facility-closure design, or institutional controls. Eleven waste canister shipments were received at the RHLLW Disposal Facility, and ten waste canisters were emplaced in disposal vaults.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Presentation on the INL Remote-Handled Low-Level Waste Disposal Facility FY-2023 Annual Summary Report

The abstract below is from the report INL/RPT-24-76103. The powerpoint presentation contains information taken from the report. This Fiscal Year (FY) 2023 annual summary report (ASR) documents the continued adequacy of the performance assessment (PA), the composite analysis (CA) and associated operating disposal-authorization statement (ODAS) technical basis documents for the Remote Handled (RH) Low-Level Waste (LLW) Disposal Facility at Idaho National Laboratory. Annual review of the adequacy of the PA and CA for the RHLLW Disposal Facility ensures that conclusions of the analyses remain valid in accordance with requirements of Department of Energy (DOE) Order 435.1, “Radioactive Waste Management.” In FY 2023, no significant operational changes or other activities occurred that would cause deviation from the assumptions in the PA and CA pertaining to disposal geometry, verification of waste characteristics, tracking disposal inventories against total limits, facility closure design, or institutional controls. Sixteen total waste-canister shipments were received at the RHLLW Disposal Facility, and 15 total waste canisters were emplaced.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

Presentation on the INL Remote-Handled Low-Level Waste Disposal Facility FY-2024 Annual Summary Report

The abstract below is from the report INL/RPT-24-82600. The powerpoint presentation contains information taken from the report. This Fiscal Year (FY) 2024 annual summary report (ASR) documents the continued adequacy of the performance assessment (PA), the composite analysis (CA), and associated operating disposal authorization statement (ODAS) technical basis documents for the Remote Handled Low Level Waste (RHLLW) Disposal Facility at Idaho National Laboratory (INL). Annual review of the adequacy of the PA and CA for RHLLW Disposal Facility ensures that conclusions of the analyses remain valid in accordance with requirements of the U.S. Department of Energy (DOE) Order 435.1, “Radioactive Waste Management.” In FY 2024, no significant operational changes or other activities occurred that would cause deviation from the assumptions in the PA and CA pertaining to disposal geometry, verification of waste characteristics, tracking disposal inventories against total limits, facility closure design, or institutional controls. Nineteen waste canister shipments were received at the RHLLW Disposal Facility, and all nineteen waste canisters were emplaced in disposal vaults.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

Variable X-Ray Reverberation in the Rapidly Accreting Active Galactic Nucleus Ark 564: The Response of the Soft Excess to the Changing Geometry of the Inner Accretion Flow

X-ray reverberation, which exploits the time delays between variability in different energy bands as a function of Fourier frequency, probes the structure of the inner accretion disks and X-ray coronae of active galactic nuclei. We present a systematic X-ray spectroscopic and reverberation study of the high-Eddington-ratio narrow-line Seyfert 1 galaxy Ark 564, using over 900 ks of XMM-Newton and NuSTAR observations spanning 13 yr. The time-averaged spectra can be well described by a model consisting of a coronal continuum, relativistic disk reflection, warm Comptonization, and three warm absorbers. Leveraging the high X-ray brightness of Ark 564, we are able to resolve the time evolution of the spectra and contemporaneous reverberation lags. The soft-band lag relative to the continuum increases with the X-ray flux, while Fe Kα lags are detected in only a subset of epochs and do not correlate with soft lags. Models based on a lamppost corona and reflection from a standard thin disk can broadly reproduce the observed lag-energy spectra of low-flux epochs; however, additional reverberation from the warm Comptonized atmosphere is required to explain the soft lags observed in high-flux epochs. A vertically puffed-up inner disk and a variable, vertically extended corona can better explain the observed evolution of the lags and covariance spectra. Our study underscores the importance of multiepoch, multiband analyses for a comprehensive understanding the inner accretion disk and corona.

Active galactic nuclei↗

The QPO in RE J1034+396 Originates in the Hot Corona

RE J1034+396 is one of the few active galactic nuclei (AGNs) with a significant quasiperiodic oscillation (QPO). The QPO has been observed in over 1 Ms of XMM-Newton observations spanning over a decade. We investigate the power spectral density function (PSD) of seven long (∼90 ks) XMM-Newton observations of the AGN RE J1034+396 in two energy bands. The soft (0.3–0.5 keV) band targets emission from the disk, while the hard (2–7 keV) band isolates the primary X-ray continuum emission from the corona. The QPO is significantly detected in the hard band of five of the seven observations. The best-fitting models indicate that the QPO detection in both bands is entirely attributable to the coronal emission with no additional contribution from the disk. This explains the strong coherence between the hard and soft bands at the QPO frequency. The covariance spectrum is consistent with this picture as the variability at QPO frequencies is attributed solely to fluctuations in the hot corona. The time lag as a function of energy is well described by a ∼2000 s intrinsic soft lag, resulting from the disk responding to emission from the corona, that undergoes phase wrapping at approximately the QPO frequency. By demonstrating that in this system the QPO arises in the corona, we provide new insights into the mechanisms generating QPOs.

Active galactic nuclei↗

Annual Summary Report for the Remote-Handled Low-Level Waste Disposal Facility—FY 2020

This Fiscal Year (FY) 2020 annual summary report documents the continued adequacy of the performance assessment (PA), the composite analysis (CA) and associated operating disposal-authorization statement (ODAS) technical basis documents for the Remote Handled (RH) Low-Level Waste (LLW) Disposal Facility at Idaho National Laboratory. Annual review of the adequacy of the PA and CA for the RHLLW Disposal Facility ensures that conclusions of the analyses remain valid in accordance with requirements of Department of Energy (DOE) Order 435.1 Change 1, “Radioactive Waste Management.” In FY 2020, no significant operational changes or other activities occurred that would cause deviation from the assumptions in the PA and CA pertaining to disposal geometry, verification of waste characteristics, tracking disposal inventories against total limits, facility closure design, or institutional controls. Fifteen total waste-canister shipments were received at the RHLLW Disposal Facility, and 15 total waste canisters were emplaced.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

BASS. XXVI. DR2 Host Galaxy Stellar Velocity Dispersions

We present new central stellar velocity dispersions for 484 Sy 1.9 and Sy 2 from the second data release of the Swift/BAT AGN Spectroscopic Survey (BASS DR2). This constitutes the largest study of velocity dispersion measurements in X-ray-selected obscured active galactic nuclei (AGN) with 956 independent measurements of the Ca II H and K λ3969, 3934 and Mg I λ5175 region (3880–5550 Å) and the calcium triplet region (8350–8730 Å) from 642 spectra mainly from VLT/X-Shooter or Palomar/DoubleSpec. Our sample spans velocity dispersions of 40–360 km s 1 , corresponding to 4–5 orders of magnitude in black hole mass (M BH = 10 5.5-9.6 M ⊙ ), bolometric luminosity (L bol ~ 10 42–46 erg s -1 ), and Eddington ratio (L/L Edd ~ 10 -5 to 2). For 281 AGN, our data and analysis provide the first published central velocity dispersions, including six AGN with low-mass black holes (M BH = 10 5.5-6.5 M ⊙ ), discovered thanks to high spectral resolution observations (σ inst ~ 25 km s -1 ). The survey represents a significant advance with a nearly complete census of velocity dispersions of hard X-ray–selected obscured AGN with measurements for 99% of nearby AGN (z < 0.1) outside the Galactic plane (|b| > 10°). The BASS AGN have much higher velocity dispersions than the more numerous optically selected narrow-line AGN (i.e., ~150 versus ~100 km s -1 ) but are not biased toward the highest velocity dispersions of massive ellipticals (i.e., >250 km s -1 ). Despite sufficient spectral resolution to resolve the velocity dispersions associated with the bulges of small black holes (~10 4–5 M ⊙ ), we do not find a significant population of super-Eddington AGN. Using estimates of the black hole sphere of influence from velocity dispersion, direct stellar and gas black hole mass measurements could be obtained with existing facilities for more than ~100 BASS AGN.

79 ASTRONOMY AND ASTROPHYSICS↗

Genomic and Transcriptomic Evidence Supports Methane Metabolism in Archaeoglobi

Euryarchaeal lineages have been believed to have a methanogenic last common ancestor. However, members of euryarchaeal Archaeoglobi have long been considered nonmethanogenic and their evolutionary history remains elusive. Here, three high-quality metagenomic-assembled genomes (MAGs) retrieved from high-temperature oil reservoir and hot springs, together with three newly assembled Archaeoglobi MAGs from previously reported hot spring metagenomes, are demonstrated to represent a novel genus of Archaeoglobaceae, “Candidatus Methanomixophus.” All “Ca. Methanomixophus” MAGs encode an M methyltransferase (MTR) complex and a traditional type of methyl-coenzyme M reductase (MCR) complex, which is different from the divergent MCR complexes found in “Ca. Polytropus marinifundus.” In addition, “Ca. Methanomixophus dualitatem” MAGs preserve the genomic capacity for dissimilatory sulfate reduction. Comparative phylogenetic analysis supports a laterally transferred origin for an MCR complex and vertical heritage of the MTR complex in this lineage. Metatranscriptomic analysis revealed concomitant in situ activity of hydrogen-dependent methylotrophic methanogenesis and heterotrophic fermentation within populations of “Ca. Methanomixophus hydrogenotrophicum” in a high-temperature oil reservoir.

59 BASIC BIOLOGICAL SCIENCES↗

Effects of Zn and Ca on the deformation texture evolution of Mg–Zn–Ca alloys at elevated temperatures

This work utilized crystal plasticity simulations and experimental thermo-mechanical processing to examine how Zn and Ca content affects texture evolution in Mg–Zn–Ca alloys during simulated hot rolling. Four different compositions were studied: unalloyed Mg and three Mg alloys of ZX0p50 (Mg- 0.5 wt% Zn- 0.1 wt% Ca), ZX30 (Mg-3 wt% Zn- 0.1 wt% Ca), and ZX31 (Mg-3 wt% Zn- 0.3 wt% Ca). Multi-pass Gleeble experiments simulated hot rolling using plane strain conditions. Unalloyed Mg developed a strong basal texture, while the addition of Zn and Ca significantly weakened the texture in ZX30 and ZX31; this reduction was not seen in ZX0p50. Notably, ZX31 exhibited a split basal texture aligned with the rolling direction. Crystal plasticity simulations revealed that the weaker basal texture in ZX30 and ZX31 resulted from reduced activation of basal and twinning modes compared to unalloyed Mg and Zx0p50. Increased Zn and Ca content raised the ratios of basal to pyramidal critical resolved sheer stress (CRSS) and twin to pyramidal CRSS, enhancing pyramidal slip activity and weakening the basal texture. Extension twinning played a critical role in texture development during the first deformation pass. In unalloyed Mg and ZX0p50, twinning led to a strong basal texture, while ZX30 and ZX31 had weak basal textures that increased only slightly with further deformation. The split basal poles simulated in ZX31 were consistent with the experimental findings, highlighting the interplay between alloy composition and texture evolution.

Crystal plasticity finite element↗

Low Temperature CO 2 Hydrogenation on Unsupported Mo 2 C Catalysts

CO 2 hydrogenation to methanol, a key reaction for decarbonizing the fuel and chemical industries, requires catalyst formulations that hydrogenate CO 2 selectively to methanol at temperatures where methanol conversion is not significantly equilibrium limited (<423 K). Herein we report continuous CO 2 hydrogenation at low temperatures (348-408 K, H 2 /CO 2 = 0.1-50, 5-35 bar) with high selectivity to methanol (up to ca. 80%) over unsupported β-Mo 2 C catalysts. Active site density quantification via titration with trifluoroacetic acid at reaction temperatures enables an assessment of site-specific rates. Methanation and reverse water gas shift (RWGS) occur concurrently with methanol synthesis during CO 2 hydrogenation over Mo 2 C. Reaction pathway analysis, product cofeeds, and reversibility formalisms show that all products form through primary reaction pathways from CO 2 , but secondary reactions of CO contribute significantly to rates of methanation. Dependences of forward rates on reactant and product concentration determined by independently varying the CO 2 , H 2 , CO, H 2 O, CH 3 OH, and CH 4 pressure in conjunction with reversibility formalisms reveal that all products form through H-assisted CO 2 activation and involve partially hydrogenated CO 2 -derived intermediates. Here, these inferences were verified by quantitative agreement between measured site-time yields and site-time yields predicted by closed form kinetic rate expressions in an integral reactor model over widely varying conditions (85-2000 kPa H 2 , 80-1500 kPa CO 2 , 0-45 kPa H 2 O, 0-21 kPa CO, 0-25 kPa CH 3 OH, 0-75 kPa CH 4 , 5-87 mol Mo s s mol CO 2 -1 ). Coverages calculated based on the kinetic model reveal that the Mo 2 C surface is covered with bidentate CO- and CO 2 -derived intermediates of the stoichiometry H 2 CO 2 and H 2 CO, indicating that H 2 and CO x do not compete for surface occupancy but instead adsorb cooperatively to form partially hydrogenated intermediates. Hydrogenation of the CO-derived H 2 CO** intermediate favors methanation, while hydrogenation of CO 2 -derived H 2 CO 2 ** favors methanol synthesis. Together, these findings demonstrate the ability of unsupported Mo 2 C to catalyze the hydrogenation of CO 2 to methanol at low temperatures and provide insight into the reaction network and mechanisms involved in its formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evidence for a Single Holocene Paleoseismic Event on the Pajarito Fault, Northern New Mexico

Low-slip rate fault systems tend to be less studied than their high-slip rate counterparts, and paleoseismic techniques used to study them may pose challenges in interpretation that differ from high-slip rate systems. A good example of this is the Pajarito fault system (PFS), a normal fault complex within the Rio Grande rift. Despite numerous previous paleoseismic trenching studies conducted on the PFS between 1990 and 2003, considerable uncertainty remains regarding its Holocene paleoseismic history, particularly for the primary Pajarito fault (PF). To further clarify the PF paleoseismic history, we present data from paleoseismic investigations of 6 trenches at 3 distinct locations along the PF. Though the totality of the age and structural data obtained in this study is complex and not entirely consistent with any one interpretation, a single Holocene paleoearthquake occurring younger than ∼1,600 to 2,300 kcal yr BP is the simplest interpretation. It is possible that the PF records two Holocene events, with a penultimate event 6.9–2.4 kcal yr BP event and the aforementioned most recent event (MRE) between 2.3 and 1.6 kcal yr BP. However, only a single wall of one trench, out of a total of 12 walls in our 6 trenches, provides evidence supporting that interpretation. This study finds evidence of a single late Holocene paleoseismic event on the PF and sparse evidence for 2 Holocene paleoseismic events on the PF and highlights the benefits of logging multiple trench walls to better understand the complexity that results from this low-slip rate, low-deposition-rate fault system.

58 GEOSCIENCES↗

Predictive Contaminant Transport Simulation with the P2R Model for the Composite Analysis Recharge Sensitivity Case

The Plateau-to-River (P2R) model is a groundwater flow and contaminant fate and transport (F&T) simulation model used to support remedial activities conducted by the Central Plateau Cleanup Company (CPCCo) at the Hanford Site in south-central Washington State. The overall objective of the saturated zone modeling effort is to provide a basis for making informed remedial action decisions based on descriptions of current and expected future contaminant concentrations in groundwater at decision points within and downgradient of the Central Plateau of the Hanford Site. Specifically, the purpose of this environmental calculation file (ECF) is to describe a recharge sensitivity case of the CA base case. The recharge sensitivity case implements a change in the activity contribution from the vadose zone in the A Trenches Area model (for tritium [H-3] and iodine-129 [I-129]), BC Cribs and Trenches model (for I-129 and technetium-99 [Tc-99]), or the Plutonium Uranium Extraction (PUREX) Area model (for H-3 and I-129). All other simulated inventories are identical to the CA base case. The simulation of fate and transport of contaminants reported in this case will support dose predictions as part of the updated Hanford Site CA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Annual Summary Report for the Remote-Handled Low-Level Waste Disposal Facility—FY 2024

This Fiscal Year (FY) 2024 annual summary report (ASR) documents the continued adequacy of the performance assessment (PA), the composite analysis (CA), and associated operating disposal- authorization statement (ODAS) technical-basis documents for the Remote-Handled (RH) Low-Level Waste (LLW) Disposal Facility at Idaho National Laboratory (INL). Annual review of the adequacy of the PA and CA for the Remote-Handled Low-Level Waste (RHLLW) Disposal Facility ensures that conclusions of the analyses remain valid in accordance with requirements of Department of Energy (DOE) Order 435.1, “Radioactive Waste Management.” In FY 2024, no significant operational changes or other activities occurred that would cause deviation from the assumptions in the PA and CA pertaining to disposal geometry, verification of waste characteristics, tracking disposal inventories against total limits, facility-closure design, or institutional controls. Nineteen waste canister shipments were received at the RHLLW Disposal Facility, and all nineteen waste canisters were emplaced in disposal vaults.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗

Lanthanide-dependent alcohol dehydrogenases require an essential aspartate residue for metal coordination and enzymatic function

The lanthanide elements (Ln 3+ ), those with atomic numbers 57–63 (excluding promethium, Pm 3+ ), form a cofactor complex with pyrroloquinoline quinone (PQQ) in bacterial XoxF methanol dehydrogenases (MDHs) and ExaF ethanol dehydrogenases (EDHs), expanding the range of biological elements and opening novel areas of metabolism and ecology. Other MDHs, known as MxaFIs, are related in sequence and structure to these proteins, yet they instead possess a Ca 2+ -PQQ cofactor. An important missing piece of the Ln 3+ puzzle is defining what features distinguish enzymes that use Ln 3+ -PQQ cofactors from those that do not. In this work, using XoxF1 MDH from the model methylotrophic bacterium Methylorubrum extorquens AM1, we investigated the functional importance of a proposed lanthanide-coordinating aspartate residue. We report two crystal structures of XoxF1, one with and another without PQQ, both with La 3+ bound in the active-site region and coordinated by Asp 320 . Using constructs to produce either recombinant XoxF1 or its D320A variant, we show that Asp 320 is needed for in vivo catalytic function, in vitro activity, and La 3+ coordination. XoxF1 and XoxF1 D320A, when produced in the absence of La 3+ , coordinated Ca 2+ but exhibited little or no catalytic activity. We also generated the parallel substitution in ExaF to produce ExaF D319S and found that this variant loses the capacity for efficient ethanol oxidation with La 3+ . These results provide evidence that a Ln 3+ -coordinating aspartate is essential for the enzymatic functions of XoxF MDHs and ExaF EDHs, supporting the notion that sequences of these enzymes, and the genes that encode them, are markers for Ln 3+ metabolism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗