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At least 379 records · Page 21

Reduced CO 2 uptake and growing nutrient sequestration from slowing overturning circulation

Current Earth system models (ESMs) project dramatic slowing (28–42% by 2100) of Atlantic Meridional Overturning Circulation and Southern Meridional Overturning Circulation (SMOC) across a range of climate scenarios, with a complete shutdown of SMOC possible by year 2300. Slowing meridional overturning circulation (MOC) differentially impacts the ocean biological and solubility carbon pumps, leaving the net impact on ocean carbon uptake uncertain. Here using a suite of ESMs, we show that slowing MOC reduces anthropogenic carbon uptake by the solubility pump but increases deep-ocean storage of carbon and nutrients by the biological pump. The net effect reduces ocean uptake of anthropogenic CO 2 . The deep-ocean nutrient sequestration will increasingly depress global-scale, marine net primary production over time. As a result, MOC slowdown represents a positive feedback that could extend or intensify peak-warmth climate conditions on multi-century timescales.

58 GEOSCIENCES↗

A complete spectroscopic catalogue of local galaxies in the northern spring sky: Gas properties and nuclear activity in different environments

With the aim of providing the complete demography of galaxies in the local Universe, including their nuclear properties, we present SPRING, a complete census of local galaxies limited to the spring quarter of the northern sky (10h < RA < 16h; 0° < Dec < 65°). The SPRING catalogue is a flux- and volume-limited sample (r < 17.7 mag, cz < 10 000 km s -1 ) of 30 597 galaxies, including the Virgo, Coma, and A1367 clusters. Images and spectra were individually examined to clear the sample from unwanted entries. To inspect possible secular and environmental dependencies of the various nuclear excitation properties (star-forming versus active nuclei), we performed a multi-dimensional analysis by dividing the total sample according to: (i) their position in the (NUV - i) versus M star diagram, (ii) the local galaxy density, (iii) the stellar mass, (iv) the halo mass of the group to which galaxies belong, and (v) the neutral hydrogen content. We present a new calibration of the optical diameter-based H I-deficiency parameter H I def , employing a reference sample of isolated galaxies extracted from SPRING. At intermediate distances between Virgo and Coma, we identify a ring-like structure of galaxies constituted by three large filaments, each with a length of approximately 20h -1 Mpc, mostly composed of blue-cloud galaxies with stellar masses M star ≲ 10 10 M ⊙ . The fraction of H I-deficient galaxies within the filament (~30%) suggests that filaments are a transitioning environment between lower- and higher-overdensity environments in terms of H I content, as we find a clear progression from field galaxies to the filament and cluster galaxies for an increasing H I def parameter. We classify the nuclear spectra according to the four-line Baldwin-Phillips-Terlevich (BPT) and the two-line EWHα versus [NII]/Hα (WHAN) diagnostic diagrams, and investigate the variation in the fraction of active nuclei hosts with stellar mass, as well as their colours and environments. We observe that the fraction of low-ionisation nuclear emitting regions (LINERs) is a steep function of stellar mass, for example, it is consistent with zero up to M star ≲ 10 9.5 M ⊙ and becomes ~40% for M star ≳ 101 0.5 M ⊙ , whereas, for M star ≲ 10 9 - 9.5 M ⊙ , almost the entire spectroscopic sample is constituted of galaxies with star-forming nuclei. We investigate whether the nuclear-excitation fractions depend predominantly on the stellar mass or, conversely, on the galaxy environment. In general, we observe that the mass dependence of the fraction of Seyfert nuclei is not very sensitive to the galaxy environment, whereas the fraction of star-forming nuclei is a steeper function of stellar mass in lower-density environments and in blue-cloud galaxies. We find that the fraction of LINERs depends on galaxy colour and, for M star ≳ 10 9.5 - 10 M ⊙ , increases in galaxies belonging to the green valley.

79 ASTRONOMY AND ASTROPHYSICS↗

The DOE CSSG: 2021 the Year in Review [Slides]

2021 accomplishments include completed taskings (2021-01, CSSG Review of Draft Revision to DOE-STD-1134 amd 2021-02, CSSG Review of FY22 NCSP Proposals) and a panel presentation at the 2021 ANS Winter Meeting. Projected taskings for 2022 include CSSG Guidance to NNSA on Contract Transition Regarding Criticality Safety, self-assessment of the CSSG, and a focus on improving the visibility and relevance of the CSSG. The CSSG is active and always seeking opportunities to assist. The CSSG is striving to be a strong, unified voice, bringing reason to and/or keeping reason in Criticality Safety. The CSSG is well positioned to continue their support role into the future.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Big Data Synchrophasor Monitoring and Analytics for Resiliency Tracking (BDSMART)

This report contains key findings from a project titled Big Data Synchrophasor Monitoring and Analytics for Resiliency Tracking (BDSMART), which was carried out through a collaborative effort of a team of researchers from Texas A&M Engineering Experiment Station, Temple University, and Quanta Technology, LLC. The in-kind support came from OSIsoft (acquired by AVEVA), which provided their PI Historian software to demonstrate the use case of streaming PMU data. The first section of the report describes the project goals and objectives related to the development of Machine Learning (ML) models capable of detecting and classifying events by processing phasor measurements captured in the field by Phasor Measurement Units (PMUs). The data for this study was contributed by the utilities/ISOs from the Western and Eastern interconnects and ERCOT, further referred to as Interconnect B (IC B), Interconnect A (IC A), and Interconnect C (IC C), respectively. The approach that the BDSMART Research Team proposed and the key research tasks defined by the team are outlined in this section. The next section describes the technical approach. We first discuss the data constraints related to the PMU measurements and data interpretation constraints imposed by the data contributors. They provided neither the topological information of the grid nor PMU placement locations and captured recorded data at very few locations in the system with the reporting rate of either 30 or 60 fps. The recordings are mostly positive sequence voltage, frequency, and ROCOF, and in some limited cases, three-phase voltages and currents. We then reflect on the bad data issues that stem from poor recording practices and vague definitions of the PMU status bits to supposedly be used for bad data identification. Finally, the data discovery points to imprecise time stamps with incomplete event start/end time, as well as inconsistent and incomplete event labeling, which combined make the implementation of the data models using supervising learning quite challenging. Following the data discovery study, we hypothesize that because the IC B data has the most complete labels, we should focus our model development on that data and then test it on data from other interconnects. We also define the common metrics used to evaluate the results from the ML algorithm tests. We concluded this section by summarizing the common ML models we used and explaining how we implemented and tested them. The issues from this section are expanded in the Training Dataset Report from this project. The final section of this report deals with the accomplishments and conclusions. As the accomplishments, we formulate the problem we are solving and what is achieved by solving the problem. We then reflect on each of the analytics tools we developed and point out the performance of each tool when applied to solving the mentioned problems. We reference this work for further details to the papers we published on each tool. In the conclusions, we give recommendations on how to improve future PMU recording practices to facilitate the ML algorithm implementation and guidance for the future standardization work aimed at clarifying the ambiguities associated with the PMU status bits. We finally list future tasks that can bring about further improvements in the proposed algorithms. The issues from this section are expanded in the Training, and Test Dataset Report filed at the project completion date.

97 MATHEMATICS AND COMPUTING↗

Charge per Micro-Pulse Calculation for Ideal Lujan and WNR beams

A complete redesign of the LANSCE front-end is currently under development for the Los Alamos Modernization Project (LAMP). This includes the replacement of the traditional Cockroft-Walton injection system to the newer radiofrequency quadrupole (RFQ) standard. LANSCE accelerates both H- and H+ beams and therefore requires an unconventional application for RFQ systems. A new facility could consider using an independent RFQ for each beam species. However, with the tight space of the LANSCE injector facility, it would prove difficult to instrument. Our initial studies have shown that a single RFQ could be used. The negatively- and positively-charged direct current (DC) beams are shaped, bunched, and accelerated out of phase to each other, with very little interaction. This would work for all possible H+ beam gates and most H- Beam gates. However, a challenge arises with the Weapons Neutron Research (WNR) beam structure that requires the acceleration of bunched beams at higher charge density per pulse. The Long Bunch Enable Gate (LBEG) used for the Lujan center is the best example of a standard injector beam gate. The beam gate, or Macro-Pulse (MP), is 625-us long, separated by at least 8.3 ms. A chopper is used to dice the MP into 1750 mini-Pulses (mP), which are 290-ns wide. After chopping, the MP contains 100,000 micro-Pulses (uP), which are generated by the linac acceleration structure modulated at 201.25 MHz; that is, the micro-Pulses are separated 5 ns apart from each other. The H+ beam structure will be very similar once a chopper is added to its transport. However, the Multi-Pulse Enable Gate (MPEG) used for WNR is significantly different in structure. In this case, the mP is chopped to be only 35-ns wide. This width is then rotated into a single 201.25 MHz RF bucket using the Low Frequency Buncher (LFB). This is proving difficult for the RFQ design in the LAMP upgrade. We began investigating the amount of current sent to WNR for two reasons. Firstly, we wanted to find a solution to avoid using the Low Frequency Buncher to simplify the LAMP RFQ design. It is simple to inject and accelerate a 35 mA DC beam in the LAMP RFQ (this is done in numerous accelerator facilities). However, injecting a short bunch with a larger current (once compressed to 5 ns to meet the RFQ frequency) may be difficult. Second, we have a technique called PSR2WNR in which we do not employ the Low Frequency Buncher, but rather accumulate 5 LBEG uP (5 ns) in the PSR and deliver the accumulated beam to WNR every 1.8 us. As a result, we could provide to WNR with five accumulated LBEG uPs every shot. The goal here is to create a rapid kicker with a frequency response of 555 kHz. DARHT-II and other accelerator facilities have constructed kickers of this type for other uses, and our engineers consider this technology as feasible.

43 PARTICLE ACCELERATORS↗

Computational Imaging for Intelligence in Highly Scattering Aerosols (Final Report)

Natural and man-made degraded visual environments pose major threats to national security. The random scattering and absorption of light by tiny particles suspended in the air reduces situational awareness and causes unacceptable down-time for critical systems and operations. To improve the situation, we have developed several approaches to interpret the information contained within scattered light to enhance sensing and imaging in scattering media. These approaches were tested at the Sandia National Laboratory Fog Chamber facility and with tabletop fog chambers. Computationally efficient light transport models were developed and leveraged for computational sensing. The models are based on a weak angular dependence approximation to the Boltzmann or radiative transfer equation that appears to be applicable in both the moderate and highly scattering regimes. After the new model was experimentally validated, statistical approaches for detection, localization, and imaging of objects hidden in fog were developed and demonstrated. A binary hypothesis test and the Neyman-Pearson lemma provided the highest theoretically possible probability of detection for a specified false alarm rate and signal-to-noise ratio. Maximum likelihood estimation allowed estimation of the fog optical properties as well as the position, size, and reflection coefficient of an object in fog. A computational dehazing approach was implemented to reduce the effects of scatter on images, making object features more readily discernible. We have developed, characterized, and deployed a new Tabletop Fog Chamber capable of repeatably generating multiple unique fog-analogues for optical testing in degraded visual environments. We characterized this chamber using both optical and microphysical techniques. In doing so we have explored the ability of droplet nucleation theory to describe the aerosols generated within the chamber, as well as Mie scattering theory to describe the attenuation of light by said aerosols, and correlated the aerosol microphysics to optical properties such as transmission and meteorological optical range (MOR). This chamber has proved highly valuable and has supported multiple efforts inclusive to and exclusive of this LDRD project to test optics in degraded visual environments. Circularly polarized light has been found to maintain its polarization state better than linearly polarized light when propagating through fog. This was demonstrated experimentally in both the visible and short-wave infrared (SWIR) by imaging targets made of different commercially available retroreflective films. It was found that active circularly polarized imaging can increase contrast and range compared to linearly polarized imaging. We have completed an initial investigation of the capability for machine learning methods to reduce the effects of light scattering when imaging through fog. Previously acquired experimental long-wave images were used to train an autoencoder denoising architecture. Overfitting was found to be a problem because of lack of variability in the object type in this data set. The lessons learned were used to collect a well labeled dataset with much more variability using the Tabletop Fog Chamber that will be available for future studies. We have developed several new sensing methods using speckle intensity correlations. First, the ability to image moving objects in fog was shown, establishing that our unique speckle imaging method can be implemented in dynamic scattering media. Second, the speckle decorrelation over time was found to be sensitive to fog composition, implying extensions to fog characterization. Third, the ability to distinguish macroscopically identical objects on a far-subwavelength scale was demonstrated, suggesting numerous applications ranging from nanoscale defect detection to security. Fourth, we have shown the capability to simultaneously image and localize hidden objects, allowing the speckle imaging method to be effective without prior object positional information. Finally, an interferometric effect was presented that illustrates a new approach for analyzing speckle intensity correlations that may lead to more effective ways to localize and image moving objects. All of these results represent significant developments that challenge the limits of the application of speckle imaging and open important application spaces. A theory was developed and simulations were performed to assess the potential transverse resolution benefit of relative motion in structured illumination for radar systems. Results for a simplified radar system model indicate that significant resolution benefits are possible using data from scanning a structured beam over the target, with the use of appropriate signal processing.

58 GEOSCIENCES↗

The Single Residue K12 Governs the Exceptional Voltage Sensitivity of Mitochondrial Voltage-Dependent Anion Channel Gating

The voltage-dependent anion channel (VDAC) is a β-barrel channel of the mitochondrial outer membrane (MOM) that passively transports ions, metabolites, polypeptides, and single-stranded DNA. VDAC responds to a transmembrane potential by “gating,” i.e. transitioning to one of a variety of low-conducting states of unknown structure. The gated state results in nearly complete suppression of multivalent mitochondrial metabolite (such as ATP and ADP) transport, while enhancing calcium transport. Voltage gating is a universal property of β-barrel channels, but VDAC gating is anomalously sensitive to transmembrane potential. Here, we show that a single residue in the pore interior, K12, is responsible for most of VDAC’s voltage sensitivity. Using the analysis of over 40 μs of atomistic molecular dynamics (MD) simulations, we explore correlations between motions of charged residues inside the VDAC pore and geometric deformations of the β-barrel. Residue K12 is bistable; its motions between two widely separated positions along the pore axis enhance the fluctuations of the β-barrel and augment the likelihood of gating. Single channel electrophysiology of various K12 mutants reveals a dramatic reduction of the voltage-induced gating transitions. The crystal structure of the K12E mutant at a resolution of 2.6 Å indicates a similar architecture of the K12E mutant to the wild type; however, 60 μs of atomistic MD simulations using the K12E mutant show restricted motion of residue 12, due to enhanced connectivity with neighboring residues, and diminished amplitude of barrel motions. We conclude that β-barrel fluctuations, governed particularly by residue K12, drive VDAC gating transitions.

59 BASIC BIOLOGICAL SCIENCES↗

Etched Silicon Planar CRL Optics for the High-Energy X-ray Diffraction Beamlines 11-ID-B and 11-ID-C at the APS

We report the focusing of high-energy X-rays is most commonly achieved by commercially available compound refractive lenses (CRL), which are added together in larger structures. There is a need for high-energy X-ray beamlines to enable focusing in only one dimension down to a few micrometers to study layered materials and thin films. High-energy X-rays above 50 keV require often 100 lenses or more, therefore it is more efficient to etch the complete arrays of lenses into a monolithic substrate like a silicon wafer. Custom lens arrays were fabricated for the high-energy x-ray beamlines 11-ID-B, and 11-ID-C at the Argonne National Laboratory. The fabrication required tuning parameters of the Bosch process to optimize the etching of deep vertical sidewalls at a reasonable speed without overheating. The beamline 11-ID-B is equipped with lens arrays of 85-110 lenses for 59 keV and 190-250 lenses for 87 keV photon energy, focusing the beam vertically below 5.0 µm at the sample positions between 1600 mm to 2100 mm. 11-ID-C has received arrays of 435 lenses that focus 106 keV X-rays to a vertical height of 2.0 µm at the sample position. In both cases, the flux density gain in the focal spot is larger than a factor of 20, relative to using slits to cut the beam size. The lens setup is permanently installed and can be moved in and out of the beam during the experiment without further alignment. The lenses have enabled operando diffraction studies on interfaces in batteries and the development of pair distribution function (PDF) analysis using grazing incidence geometry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Construction status of the Mu2e crystal calorimeter

The Mu2e experiment at Fermilab will search for the charged-lepton flavor violating neutrino-less conversion of a negative muon into an electron in the field of an aluminum nucleus. The Mu2e detector is composed of a tracker, an electromagnetic calorimeter and an external veto for cosmic rays. The calorimeter plays an important role in providing excellent particle identification capabilities and a fast online trigger filter, while aiding the track reconstruction capabilities. Calorimeter requirements are to provide a large acceptance for 0~10 MeV electrons and reach: i) a time resolution better than 0.5 ns; ii) an energy resolution better than 10%; and iii) a position resolution of 1 cm. The calorimeter consists of two disks, each one made of 674 pure CsI crystals. Each crystal is readout by two large area 2×3 arrays of UV-extended SiPMs of 6×6 mm2 dimensions. A large scale prototype (Module-0) has been tested at an electron beam. We report here the tests done to finalize the calorimeter design, the results obtained with Module-0 and the status of production. At this time, the performance characteristics of 85% of the crystals and all of the SiPMs have been measured. The calorimeter engineering drawings have been completed and the large mechanical components are under fabrication. Analog and digital electronics have been prototyped and tested with irradiation dose. Their serial production is being organized. The calorimeter assembly phase is planned for mid-2020.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Highly Accurate Experimental Heave Decay Tests with a Floating Sphere: A Public Benchmark Dataset for Model Validation of Fluid–Structure Interaction

Highly accurate and precise heave decay tests on a sphere with a diameter of 300 mm were completed in a meticulously designed test setup in the wave basin in the Ocean and Coastal Engineering Laboratory at Aalborg University, Denmark. The tests were dedicated to providing a rigorous benchmark dataset for numerical model validation. The sphere was ballasted to half submergence, thereby floating with the waterline at the equator when at rest in calm water. Heave decay tests were conducted, wherein the sphere was held stationary and dropped from three drop heights: a small drop height, which can be considered a linear case, a moderately nonlinear case, and a highly nonlinear case with a drop height from a position where the whole sphere was initially above the water. The precision of the heave decay time series was calculated from random and systematic standard uncertainties. At a 95% confidence level, uncertainties were found to be very low—on average only about 0.3% of the respective drop heights. Physical parameters of the test setup and associated uncertainties were quantified. A test case was formulated that closely represents the physical tests, enabling the reader to do his/her own numerical tests. The paper includes a comparison of the physical test results to the results from several independent numerical models based on linear potential flow, fully nonlinear potential flow, and the Reynolds-averaged Navier–Stokes (RANS) equations. A high correlation between physical and numerical test results is shown. The physical test results are very suitable for numerical model validation and are public as a benchmark dataset.

42 ENGINEERING↗

Ultrafast Correlation Energy Estimator

A virtually no-cost method is proposed that can compute the correlation energies of general, covalently bonded, organic, and inorganic molecules (including conjugated π-electron systems) with a well-defined dominant Lewis structure at the accuracy of 99.5% of the near-exact values determined by the coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] in the complete-basis-set (CBS) limit. This Correlation Energy Per Bond (CEPB) method assigns a partial correlation energy to each bond type (characterized by the identities of the two atoms forming the bond and its integer bond order) and to a lone pair, regardless of the bond length, bond angle, sp-hybridization, π-electron conjugation, ionicity, noncovalent interactions, etc. At its current stage, the method is mainly suitable for near-equilibrium geometries. The correlation energies per bond are determined by a fit to the CCSD(T)/CBS benchmarks. It can neither improve the equilibrium structures nor discern conformers or positional isomers, yet its accuracy for reaction energies rivals that of the second-order Møller–Plesset perturbation theory, which is far more expensive. Its promising performance underscores the possibility that surprisingly compact, chemically intuitive molecular fragments exist into which correlation energies can be partitioned, leading to various ultrafast correlation-energy estimators tailored to different purposes.

Binding energy↗

The SRG/eROSITA All-Sky Survey: Optical identification and properties of galaxy clusters and groups in the western galactic hemisphere

The first SRG/eROSITA All-Sky Survey (eRASS1) provides the largest intracluster medium-selected galaxy cluster and group catalog covering the western Galactic hemisphere. Compared to samples selected purely on X-ray extent, the sample purity can be enhanced by identifying cluster candidates using optical and near-infrared data from the DESI Legacy Imaging Surveys. Using the red-sequence-based cluster findereROMaPPer, we measured individual photometric properties (redshiftz λ , richnessλ, optical center, and BCG position) for 12000 eRASS1 clusters over a sky area of 13 116 deg 2 , augmented by 247 cases identified by matching the candidates with known clusters from the literature. The median redshift of the identified eRASS1 sample isz= 0.31, with 10% of the clusters atz> 0.72. The photometric redshifts have an accuracy ofδz/(1 +z) ≲ 0.005 for 0.05 specand velocity dispersionσ) were measured a posteriori for a subsample of 3210 and 1499 eRASS1 clusters, respectively, using an extensive compilation of spectroscopic redshifts of galaxies from the literature. We infer that the primary eRASS1 sample has a purity of 86% and optical completeness >95% forz> 0.05. For these and further quality assessments of the eRASS1 identified catalog, we applied our identification method to a collection of galaxy cluster catalogs in the literature, as well as blindly on the full Legacy Surveys covering 24069 deg 2 . Using a combination of these cluster samples, we investigated the velocity dispersion-richness relation, finding that it scales with richness as log(λ norm ) = 2.401 × log(σ) − 5.074 with an intrinsic scatter ofδ in = 0.10 ± 0.01 dex. The primary product of our work is the identified eRASS1 cluster catalog with high purity and a well-defined X-ray selection process, opening the path for precise cosmological analyses presented in companion papers.

Astronomy & Astrophysics↗

Model-based Hierarchical Reinforcement Learning for Improved Physical Security Design: A Prototype

Prior work in FY24 developed an adversarial AI agent aid in path analysis of physical protection systems. This agent, trained using a model-based reinforcement learning algorithm, was able to successfully learn the most vulnerable path in facilities. It was able to extend the current state of practice for physical protection design by exhibiting dynamic behavior based on current environmental conditions. Whereas PathTrace largely performs a static, graph-based analysis, the AI agent was able to make decisions based on relative position in the facility, current conditions (was the adversarial agnet discovered?), and proximity to secondary targets. The agent demonstrated some novel capabilities, but had limitations that need to be resolved before it can be used for production purposes. For example, the adversarial agent generalizes poorly and takes a relatively long time to train. Nonetheless, there is still considerable promise for developing the adversarial agent further in order to explore even richer, more dynamic behaviors (e.g., adversary motivations, environmental debris, and more). This work considers a complementary idea; development of a planning agent. The planning agent is envisioned as an auto-complete-like tool that can help accelerate security system design by human experts. The agent would respect existing barriers and sensors placed by a human expert while offering cost-effective suggestions (i.e., implicitly balancing effectiveness with cost) to improve the design. The goal is for this agent to be part of an expert’s toolbox, not to totally upend the current state-of-practice, or to displace human experts. The ultimate goal would be concurrent training of both the adversarial and planning agent together, to learn entirely through self-play. This would represent an entirely new way of performing system deign. We selected a hierarchical, model-based reinforcement learning algorithm to serve as the planning agent. This is an extension of concepts used in the prior FY24 adversarial agent work. There, we had a single agent acting an environment. Here, we have two different sub-agents (policies), working together, to form a complete agent. There is a manager policy, which can select abstract goals on slower time scales, and a worker, which performs primitive actions to reach goals selected by the manager. It is worth noting that this class of algorithm is challenging to work with. From our understanding, our work is one of the first successful uses of model-based reinforcement learning (MBRL) in nuclear energy1 , and likely the first hierarchical model-based reinforcement learning application in nuclear energy. Further, this work is one of the first known attempts to apply AI to perform a design tasks in nuclear energy. Consequently, there were significant implementation challenges and the bulk of the work was focused on successful implementation and algorithm design. The results presented here are very low technology readiness level as a consequence of the lack of related literature, but still represent a significant step forward in the pursuit of applied AI for design.

42 ENGINEERING↗

Illuminating the Photophysics of Oxygen Atom Transfer in Rare Earth Metal-Organic Complexes

Industrial separations of rare earth metals are reliant on selectivity based on ionic radii, which are time, energy, and resource consuming.1 The unique and discontinuous manifold of energy states associated with the f-electron configurations of the rare earth ions2 offer an opportunity to overcome some of these limitations by incorporating light into the separation process. Here, we use transient absorption spectroscopy to understand the differences in mechanism of light-initiated oxygen atom transfer (OAT) in yttrium (Y) and dysprosium (Dy) rare earth complexes. These metal-organic complexes are functionalized with hexfluoroacetyl-acetonate (hfac) and 4-methylmorpholine-N-oxide (NMMO). After light absorption in the presence of triphenyl phosphine (TPP), the NMMO in the Y-NMMO complex is replaced by the TPPO OAT reaction product. Because the Dy f-electron manifold is accessible to the ligand excited states, while there are no accessible states associated with f-electrons for Y, there are significant differences in reactivity. Transient absorption spectroscopy (TAS) was used to monitor changes after 340 nm photoexcitation of Dy/Y-NMMO or the product complex Dy/Y-TPPO. TAS is a pump-probe technique where a white light probe pulse is delayed relative to a visible pump pulse, which photoexcites a sample. Differences between the ground and excited states are monitored over time. With TAS, we access time scales from 100 fs-400 us to determine the photophysics of the complexes of interest. Photoexcitation of Y-NMMO (Fig. 1A) creates a broad photoinduced absorption (PIA) that evolves into a sharp positive feature over 4.2 ps centered at 450 nm. A secondary feature centered at 550 nm grows in with a 200 ps time constant and remains through the 5 ns time window of our experiment. Control experiments for Y-TPPO reveal that the feature at 450 nm is due to internal dynamics of the hfac ligand, while the 550 nm shoulder is due to the presence of the NMMO. Comparing kinetics at 550 nm for Y-NMMO and Dy-NMMO (Fig. 1B) shows that while Y exhibits a distinct growth in the NMMO feature, the Dy decays almost completely within 5 ns. Control experiments with Dy-TPPO prove that the ligand excited states centered on the hfac ligand are deactivated via energy transfer to the Dy manifold within 200 ps. This deactivation leads to significant differences in OAT reactivity between Y and Dy.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗

ATR Fuel Management

The sixth Core Internals Changeout (CIC) of ATR was completed on March 21, 2022, and Nuclear Testing (NT) commenced shortly thereafter. In support of NT, 235U flux wires were attached to flux wands using electrical tape and installed in water channels 2, 6, 11, 15 and 19 in each of the 40 ATR Mark VII fuel elements that comprise an ATR core to perform low power flux measurements during ATR Cycle 170CIC NT-3. The flux wands were fabricated from Poly (Methyl Methacrylate), or PMMA. Irradiated cobalt capsules were loaded in the ATR Northeast Irradiation Housing Assembly (NEIHA), the East Flux Trap (EFT), South Flux Trap (SFT), inboard A-positions and various H-positions as a 170CIC NT-3 core reactivity hold-down mechanism. The PMMA flux wands received significant gamma dose from the irradiated cobalt during NT-3 which caused discoloration, embrittlement and swelling of the flux wands. The removal of the degraded flux wands from the 0.078 in. wide by 50 in. long fuel element coolant channels has been a unique challenge. This presentation summarizes the cleaning techniques used to remove the flux wand debris from the elements, an aggressive PMMA irradiation experiment performed concomitantly with initial cleaning efforts, and planned inspection and qualification techniques that will be applied in the future to potentially requalify the impacted elements for re-use.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Raman spectroscopic characterization of SiO 2 phase transformation and Si substrate stress relevant to EBC performance

To accurately model the long-term durability of environmental barrier coatings (EBCs), a more complete understanding of the phase composition and transformations of the thermally grown oxide SiO 2 (TGO) is desired. For the TGO formed during thermal cycling in steam, cristobalite formation and the subsequent β- to α-cristobalite transformation has been identified as a potentially life-limiting mechanism. In this study, Raman micro-spectroscopy was used to quantify the cristobalite transformation on a polycrystalline Si coupon that was exposed to steam at 1350°C for 100 h. The phase transformation was mapped at 200–260°C on the TGO surface at different ramp rates using a heating stage and a micro-positioning stage. The stress in the Si substrate was also determined using Raman spectroscopy by measuring the stress induced peak shift. The α→β phase transformation produced a 300–500 MPa tensile stress in the Si substrate, which compared well to the stress predicted from the volumetric expansion of the cristobalite. In conclusion, quantifying the phase transformation and residual stress are critical tools in developing the next generation of high performance EBCs.

36 MATERIALS SCIENCE↗

Barge Site - Avian Radar System / Derived Data

This is a combined data set of 67,410 bird/bat tracks from an avian radar system deployed on a research barge (MERLIN True3D, DeTect, Panama City, Florida, USA) and concurrent wind measurements from two scanning lidars (WindCube v2.1, Vaisala, Vantaa, Finland, and Halo XR+, Halo Photonics, Lannion, France). The research barge (16.5 m x 61 m) was deployed as part of the Wind Forecast Improvement Project (WFIP-3) off the northeast coast of the United States south of Massachusetts (40.9 deg N, 70.79 deg W). This data set comprises 5 weeks of data between August 27th 2024 and September 27th 2024. Radar data were provided by DeTect and Lidar data were accessed through the Wind Data Hub (wfip3/barg.WINDPROF.z01.a0) The data have been filtered and sorted into two size groups ("big" and "small") based on a clustering approach. See Snortland, A., Clerc, J., Hein, C., & Cotter, E. (2025). Wind as Driver of Bird and Bat Abundance, Flight Direction, Altitude, and Speed on the North Atlantic Shelf. arXiv preprint arXiv:2511.14983 for complete details. Data are provided in 2 files: "Birds" and "Birds_hourly" Birds: This file contains information about each of the 67,410 flying animal tracks detected by the radar during the data collection period, including parameters measured by the radar and wind information interpolated from the lidar wind measurements. We note that the raw radar dataset contained 301,618 tracks; tracks in this processed dataset were filtered based on the requirements described in Snortland et al. (2025). Birds_hourly: This file contains timeseries of the number of tracks detected per hour over the course of the data collection period, including wind conditions and sun position for each hour. These data were used for generalized additive modeling in Snortland et al. (2025).

17 WIND ENERGY↗

Quantum simulations of nuclear resonances with variational methods

Background: The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian Hamiltonian. Quantum computing, particularly for quantum many-body systems, offers a promising alternative, especially within the constraints of current noisy intermediate-scale quantum (NISQ) devices. Purpose: This work aims to simulate nuclear resonances using quantum algorithms by developing a variational framework compatible with non-Hermitian Hamiltonians and implementing it fully on a quantum simulator. Methods: We employ the complex scaling technique to extract resonance positions classically and adapt it for quantum simulations using a two-step algorithm. First, we transform the non-Hermitian Hamiltonian into a Hermitian form by using the energy variance as a cost function within a variational framework. Second, we perform 𝜃-trajectory calculations to determine optimal resonance positions in the complex energy plane. To address resource constraints on NISQ devices, we utilize Gray code (GC) encoding to reduce qubit requirements. Results: We first validate our approach using a schematic potential model that mimics a nuclear potential, successfully reproducing known resonance energies with high fidelity. We then extend the method to a more realistic 𝛼−𝛼 nuclear potential and compute the 𝐷- and 𝐺-wave resonance energies with a basis size of 𝑁=16, using only four qubits. The quantum simulation results closely match the classical values, demonstrating the feasibility of our approach. Conclusions: This study demonstrates, for the first time, that the complete 𝜃-trajectory method can be implemented on a quantum computer without relying on any classical input beyond the Hamiltonian. The results establish a scalable and efficient quantum framework for simulating resonance phenomena in nuclear systems. This work represents a significant step toward quantum simulations of open quantum systems and lays the foundation for future investigations into resonance structures in nuclear, atomic, and molecular physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗