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DOE OSTI2024

The atmospheric effect of aerosols on future tropical cyclone frequency and precipitation in the Energy Exascale Earth System Model

This study uses experiments from the Energy Exascale Earth System Model (E3SM) to compare the influence on tropical cyclone (TC) activity of: (i) the atmospheric effect of aerosols under specified sea-surface temperatures (SSTs); and (ii) the net effect of greenhouse gases (GhGs) (including changes in SSTs). The experiments were performed using the CMIP6 Shared Socioeconomic Pathway SSP5-8.5 emissions scenario with GhG-induced SST warming specified and atmospheric aerosol effects simulated but without explicit ocean coupling. Insignificant changes in global TC frequency are found in response to the atmospheric effect of future aerosols and GhGs, as significant regional responses in TC frequency counteract each other. Future GhGs contribute to more frequent TCs in the North Atlantic, and reductions over the Northwestern Pacific and Southern Indian Ocean. The atmospheric effect of future aerosols drives more frequent TCs over the Northwestern Pacific and reductions over the Northeast Pacific and North Atlantic. Along with increases in TC intensity, global TC precipitation (TCP) is projected to increase by 52.8% (14.1%/K) due to the combined effect of future aerosols and GhGs. Although both forcings contribute to TCP increases (14.7–19.3% from reduced aerosols alone and 28.1–33.3% from increased GhGs alone), they lead to different responses in the spatial structure of TCP. TCP increases preferentially in the inner-core due to increased GhGs, whereas TCP decreases in the inner-core and increases in the outer-bands in response to the atmospheric effects of decreased aerosols. These changes are distinct from those caused by aerosol-induced SST changes, which have been considered in other studies.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Molecular chaperone RAP interacts with LRP1 in a dynamic bivalent mode and enhances folding of ligand-binding regions of other LDLR family receptors

The low-density lipoprotein receptor (LDLR) family of receptors are cell-surface receptors that internalize numerous ligands and play crucial role in various processes, such as lipoprotein metabolism, hemostasis, fetal development, etc. Previously, receptor-associated protein (RAP) was described as a molecular chaperone for LDLR-related protein 1 (LRP1), a prominent member of the LDLR family. We aimed to verify this role of RAP for LRP1 and two other LDLR family receptors, LDLR and vLDLR, and to investigate the mechanisms of respective interactions using a cell culture model system, purified system, and in silico modelling. Upon coexpression of RAP with clusters of the ligand-binding complement repeats (CRs) of the receptors in secreted form in insect cells culture, the isolated proteins had increased yield, enhanced folding, and improved binding properties compared with proteins expressed without RAP, as determined by circular dichroism and surface plasmon resonance. Within LRP1 CR-clusters II and IV, we identified multiple sites comprised of adjacent CR doublets, which provide alternative bivalent binding combinations with specific pairs of lysines on RAP. Mutational analysis of these lysines within each of isolated RAP D1/D2 and D3 domains having high affinity to LRP1 and of conserved tryptophans on selected CR-doublets of LRP1, as well as in silico docking of a model LRP1 CR-triplet with RAP, indicated a universal role for these residues in interaction of RAP and LRP1. Consequently, we propose a new model of RAP interaction with LDLR family receptors based on switching of the bivalent contacts between molecules over time in a dynamic mode.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

PipeSight: A High-Performance Computing Platform for Pipeline Integrity Management

The Phase I feasibility study completed as part of this project has led to a number of innovative technologies being developed and has laid the foundation for a successful Phase II effort to commercialize a platform for managing the integrity of pipelines for the damage mechanisms of the new, hybrid-energy based economy. To ground the development efforts and direction of the project, an extensive market research and customer discovery effort was undertaken early in Phase I. Through this effort, a number of pipeline owners and operators were interviewed, and the following key findings were discovered about the pipeline industry: • Small pipeline operators do not have the central engineering groups necessary to perform their own independent analysis of inspection data, but instead rely on summarized tally sheets provided to them by inspection service providers. • The time it takes to go from an inspection to a completed engineering assessment, even for small segments of pipeline, can take anywhere from 30-120 days. During this delay, critical threats can (and have been known to) cause failures. • Uncertainty is often not accounted for in the assessment of pipeline integrity. The tally sheets provided by third-party service providers are almost always deterministic in nature, identifying threats that present a concern only to the current (not the future) integrity of the pipeline. • It is uncommon to apply the latest technologies to perform advanced assessments of damaged pipelines. There is a desire to use more advanced analysis capabilities to assess threats. Many pipeline operators indicated that they would often excavate a pipeline to perform an inspection and find that the damage was not as bad as they anticipated, thus using limited resources unnecessarily. Companies are not consistent in their use of inspection data to determine corrosion rates, and those that do only calculate deterministic corrosion rates. • The industry has prominently relied on time-based inspections but has recently started to transition to risk-based inspections. However, there appears to be no uniform guidance on how to do so while properly accounting for all sources of uncertainty. • Companies are not storing inspection data in a manner that allows for the ready determination of temporal trends. • Predictive maintenance principles and practices are beginning to be used by early adopters • Some pipelines are being re-purposed to transport different process fluids than they were designed for, e.g., H 2 and CO 2 rich process streams to serve the new hybrid-energy based economy, which are presenting new integrity concerns for the existing pipeline network that crisscrosses the United States. As a result of these discoveries, we were able to target the development efforts in Phase I to best serve the needs of the industry. In Phase I, we developed a way to correlate multiple large-scale scans of the pipeline to determine a probabilistic corrosion rate that accounts for all sources of error and uncertainty in the inspection process. This probabilistic corrosion rate can be used to predict the future thickness distribution of the pipe wall. We demonstrate how this analysis may be performed in an analytical fashion and has been implemented in such a manner that it can be readily distributed using GPU computing through integration of the Kokkos programming model. We also make a very novel extension of the analytical corrosion rate model to Bayesian Networks (an explainable AI technique) that can account for non-parametric distributions of corrosion rates. With the predictions made above for the probabilistic corrosion rate and corresponding future distribution of the pipe wall thickness, we can assess the integrity of the pipeline through the use of a probabilistic engineering assessment. We developed a novel screening data analysis approach that can rapidly identify ‘hotspots’ (local thin areas) where the integrity of the pipeline is a concern. Once more, we implemented this screening approach in C++ to leverage GPU computing via the Kokkos programming model. After the critical hotspots are identified, we developed a program that can automatically generate an advanced finite element model of the damaged regions. Since the number of damaged regions that require advanced analysis can number in the thousands, we integrated an open-source container-native workflow engine for orchestrating parallel jobs on the cloud. Initially, these advanced numerical models were only designed to account for loading due to internal pressure. However, in a slight pivot from the initial Phase I proposal, we developed a complete pipe stress analysis program (called Simflex) which can simulate the complete pipeline and its response to thermal expansion, pressure, thermal bowing, weight, wind, earthquake, support displacement, support friction and external forces. This pipe stress analysis program was written generically, to handle any piping system, but contains the features needed to model long pipelines (i.e., it incorporates a model for soil mechanics and can account for the nonlinear boundary conditions necessary to simulate long underground pipelines). This pipe stress analysis program can simulate any segment of the pipeline (simple or complex) under any set of conditions and loads, to determine the supplemental loads (axial forces and bending moments) at the location of damage. This enables the most accurate state of stress to be accounted for in the pipeline, which can prove critical when evaluating the integrity of a damaged region. In the process of developing the technologies to perform the integrity assessment of the pipeline, we also extended one of the industry standard approaches for performing the assessment of local thin areas that extend more in the circumferential direction than the longitudinal direction of the pipeline. This approach was presented to the API 579-1/AS ME FFS-1 steering committee in November 2021 for consideration in the next edition of the industry standard for Fitness-For-Service (expected to be released in 2023). To help pipeline operators make decisions with the results on any integrity assessment, we developed a new approach to the life-cycle management of pipelines which uses a Bayesian Decision Network. The network is designed to help pipeline operators plan and prioritize inspection activities and ultimately make smarter, more cost-effective decisions. The Bayesian approach accounts for all sources of uncertainty and carries them through to the final optimal decisions, providing a probabilistic framework for optimizing inspection intervals. The proof-of-concept networks developed in the feasibility study are complete, verified, and are focused on a subset of the pipeline. To expand this novel approach to the scale necessary for an entire network of pipelines in Phase II, we will leverage the DOE-funded Bengi solver for industrial-scale decision making with Bayesian Networks [22]. Once implemented, we will be able to provide the pipeline industry with a much-needed tool for optimal inspection planning using truly explainable artificial intelligence (XAI). To handle all of these advanced capabilities into a cloud-based platform, the architecture of the Equity Engineering Cloud (EEC) was extended to include Argo Workflows, a framework capable of distributing and managing a massive number of jobs that consume their own resources, such that thousands of serial finite element simulations can be run in parallel. As part of this substantial undertaking, we also integrated Argo Continuous Delivery (CD) into the EEC, to aid with the rapid prototyping and iterations that will be imperative to the success of the PipeSight platform’s Agile development process in Phase II. As part of the pipe stress analysis program, we also developed a custom visualizer that leverages the DOE-funded VTK visualization library. We added custom contouring capabilities and a means for interacting visually with both the inputs and outputs of the pipe stress analysis program. We also developed routines for automating the post-processing of the finite element simulations to determine if any failure criteria are met and to visualize the deformations, stresses and strains in ParaView using the exodus II file format (a subset of netCDF).

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Quantifying soil organic matter stock distribution and origin following over a century of maize-based cropping in the former tallgrass prairie region of central USA

Tallgrass prairie conversion to maize-based agriculture in central North America has resulted in substantial loss of soil organic carbon (SOC) in less than two centuries. However, evaluations of how management practices may mitigate SOC losses are generally limited in soil depth and/or duration, missing long-term SOC stock outcomes that manifest over timescales of decades or longer. To address this, we sampled soils in year 145 of the Morrow Plots experiment to (i) evaluate effects of crop rotation and fertility management on SOC stocks and (ii) distinguish prairie- versus maize-derived SOC after continuous maize cropping since 1876 using stable carbon isotope ( 13 C) natural abundance. Soil organic carbon stock by equivalent soil mass (ESM) was + 30.7 Mg C ha −1 (+31.7 %) higher under maize-oat-alfalfa than continuous maize, but similar between maize-soybean and continuous maize. NPK fertilization and manuring did not influence SOC stocks by ESM. Response of SOC stocks at 15 cm depth intervals to NPK fertilization varied by depth and crop rotation, with lower SOC stocks at 30–45 cm under continuous maize and maize-soybean. Maize-derived C ranged 19.5–59.6 % of SOC stock across depths, indicating the majority of SOC was still derived from tallgrass prairie even after 145 years of continuous maize cropping. Our results confirm the potential of diversified crop rotation for minimizing SOC losses relative to tallgrass prairie at the supracentennial scale, and highlight the importance of relic prairie soil organic matter for future crop production in central North America.

crop rotation↗

DOE OSTI2022

Dynamical electron correlation and the chemical bond. II. Recoupled pair bonds in the $a$ 4 Σ - states of CH and CF

We extended our studies of the effect of dynamical electron correlation on the covalent bonds in the AH and AF series (A = B–F) to the recoupled pair bonds in the excited $a$ 4 Σ - states of the CH and CF molecules. Dynamical correlation is energetically less important in the $a$ 4 Σ - states than in the corresponding X 2 Π states for both molecules, which is reflected in smaller changes in bond energies ($D$ e ). Changes in the equilibrium bond distance ($R$ e ) and vibrational frequency ($ω$ e ), on the other hand, are influenced by the changes in the slope and curvature of the dynamical electron correlation energy as a function of the internuclear distance $R$, $E$ DEC ($R$). In the CH($a$ 4 Σ - ) state, these changes are much smaller than in the CH(X 2 Π) state, but in the CF($a$ 4 Σ - ) state, they are larger, reflecting a significant difference in the shapes of $E$ DEC ($R$) curves. At large $R$, the shape of $E$ DEC ($R$) curves for covalent and recoupled pair bonds is similar although different in magnitude. For the CH($a$ 4 Σ - ) state, $E$ DEC ($R$) has a minimum at $R$ = $R$ e + 0.72 Å as the orbitals associated with the formation of the recoupled pair bond switch places. $E$ DEC (R) for the CF($a$ 4 Σ - ) state decreases continuously throughout the bound region of the potential energy curve because the dynamical correlation energy associated with the electrons in the lone pair orbitals is increasing. In conclusion, these results support our earlier conclusion that we still have much to learn about the nature of dynamical electron correlation in molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Experimental demonstration of transient CHI start-up using a floating biased electrode configuration

Transient coaxial helicity injection (CHI) current start-up in a spherical tokamak (ST) has been demonstrated for the first time using a reactor-relevant floating single biased (FSB) electrode configuration on QUEST. Unlike previous applications of CHI on HIT-II and on NSTX in which the entire ST vessel was split in two using two toroidal ceramic rings as vacuum breaks, in the FSB electrode configuration on QUEST, only the lower outer divertor plate is electrically insulated from the rest of the vessel. This is the CHI injector region. A CHI discharge is generated by driving current, using an external power supply, along magnetic field lines that connect the inner and outer divertor plates in the CHI injector region. The CHI plasma evolution and closed flux formation on QUEST are very similar to those on NSTX and have generated toroidal currents of 150 kA with 100 kA of current flowing on closed flux surfaces. An alternate, force-free model approach has been used to derive the CHI scaling relations. The resulting CHI scaling relations from the model are consistent with the conventional CHI scaling relations, which state that the CHI generated toroidal current is proportional to the CHI injector flux and the CHI injector current is inversely proportional to the toroidal field. These results from QUEST bode well for the application of CHI in a new generation of compact high field STs and low aspect ratio tokamaks in which the space for the central solenoid is very restricted.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Multidimensional measurements of beam single-spin asymmetries in semi-inclusive deep-inelastic charged-kaon electroproduction off protons in the valence region

Measurements of beam single-spin asymmetries in semi-inclusive deep-inelastic electron scattering (SIDIS) with positively charged kaons off protons have been performed with 10.6 and 10.2 GeV incident electron beams using the CLAS12 spectrometer at Jefferson Lab. We report an analysis of the electroproduction of positively charged kaons over a large kinematic range of fractional energy, Bjorken 𝑥, transverse momentum, and photon virtualities 𝑄 2 ranging from 1 GeV 2 up to 6 GeV 2 . This is the first published multidimensionally binned CLAS12 measurement of a kaon SIDIS single-spin asymmetry in the valence quark regime. The data provide constraints on the structure function ratio $𝐹^{sin \space𝜙}_{𝐿⁢𝑈}$⁡/$𝐹_{𝑈⁢𝑈}$, where $𝐹^{sin \space𝜙}_{𝐿⁢𝑈}$ is a quantity with a leading twist of twist-3 that can reveal novel aspects of the quark-gluon correlations within the nucleon. The impact of the data on understanding the underlying reaction mechanisms and their kinematic variation is explored using theoretical models for the different contributing twist-3 parton-distribution functions (PDFs) and fragmentation functions (FFs).

form factors↗

DOE OSTI2025

Photoproduction of two charged pions off protons in the resonance region

Photoproduction of charged pions pairs off protons is studied within the invariant masses of the final state hadrons from 1.6 to 2.4 GeV at the Thomas Jefferson National Accelerator Facility with the CLAS detector. The total and differential cross sections and spin-density matrix elements are presented for the isobars pρ 0 (770), Δ(1232) ++ π − , and Δ(1232) 0 π + . The data are included in the Bonn-Gatchina coupled-channel analysis and provide the information necessary to determine the branching fractions of Nρ(770) decays for most known N* and Δ* resonances. For the first time, the Nρ branching ratios are obtained here from an event-based likelihood to γp → π + π − p.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Photoproduction of the Σ + hyperon using linearly polarized photons with CLAS

Measurements of the polarization observables Σ, P, T, O x , O z for the reaction $\vec{γ}$ p → $K^0_S$Σ + using a linearly polarized photon beam of energy 1.1 to 2.1 GeV are reported. The measured data provide information on a channel that has not been studied extensively, but is required for a full coupled-channel analysis in the nucleon resonance region. Observables have been simultaneously extracted using likelihood sampling with a Markov-Chain Monte Carlo process. Angular distributions in bins of photon energy E γ are produced for each polarization observable. T, O x , and O z are first time measurements of these observables in this reaction. The extraction of Σ extends the energy range beyond a previous measurement. The measurement of P, the recoil polarization, is consistent with previous measurements. The measured data are shown to be significant enough to affect the estimation of the nucleon resonance parameters when fitted within a coupled-channels model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Mineralogical, magnetic and geochemical data constrain the pathways and extent of weathering of mineralized sedimentary rocks

The oxidative weathering of sulfidic rock can profoundly impact watersheds through the resulting export of acidity and metals. Weathering leaves a record of mineral transformation, particularly involving minor redox-sensitive phases, that can inform the development of conceptual and quantitative models. In sulfidic sedimentary rocks, however, variations in depositional history, diagenesis and mineralization can change or overprint the distributions of these trace minerals, complicating the interpretation of weathering signatures. Here we show that a combination of bulk mineralogical and geochemical techniques, micrometer-resolution X-ray fluorescence microprobe analysis and rock magnetic measurements, applied to drill core samples and single weathered fractures, can provide data that enable the development of a geochemically consistent weathering model. This work focused on one watershed in the Upper Colorado River Basin sitting within the Mesaverde Formation, a sedimentary sandstone bedrock with disseminated sulfide minerals, including pyrite and sphalerite, that were introduced during diagenesis and subsequent magmatic-hydrothermal mineralization. Combined analytical methods revealed the pathways of iron (Fe), carbonate and silicate mineral weathering and showed how pH controls element retention or release from the actively weathering fractured sandstone. Drill core logging, whole rock X-ray diffraction, and geochemical measurements document the progression from unweathered rock at depth to weathered rock at the surface. X-ray microprobe analyses of a 1-cm size weathering profile along a fracture surface are consistent with the mobilization of Fe(II) and Fe(III) into acidic pore water from the dissolution of primary pyrite, Fe-sphalerite, chlorite, and minor siderite and pyrrhotite. These reactions are followed by the precipitation of secondary minerals such as of goethite and jarosite, a Fe-(oxyhydr)oxide and hydrous Fe(III) sulfate, respectively. Microscale analyses also helped explain the weathering reactions responsible for the mineralogical transformations observed in the top and most weathered section of the drill core. For example, dissolution of feldspar and chlorite neutralizes the acidity generated by Fe and sulfide mineral oxidation, oversaturating the solution in both Fe-oxides. The combination of X-ray spectromicroscopy and magnetic measurements show that the Fe(III) product is goethite, mainly present either as a coating on fracture surfaces in the actively weathering region of the core or more homogeneously contained within the unconsolidated regolith at the top of the core. Low-temperature magnetic data reveal the presence of ferromagnetic Fe-sulfide pyrrhotite that, although it occurs at trace concentrations, could provide a qualitative proxy for unweathered sulfide minerals because the loss of pyrrhotite is associated with the onset of oxidative weathering. Pyrrhotite loss and goethite formation are detectable through room-temperature magnetic coercivity changes, suggesting that rock magnetic measurements can determine weathering intensity in rock samples at many scales. In conclusion, this work contributes evidence that the weathering of sulfidic sedimentary rocks follows a geochemical pattern in which the abundance of sulfide minerals controls the generation of acidity and dissolved elements, and the pH-dependent mobility of these elements controls their export to the ground- and surface-water.

58 GEOSCIENCES↗

DOE OSTI2023

Validation of 2D Te and ne measurements made with Helium imaging spectroscopy in the volume of the TCV divertor

Abstract Multi-spectral imaging of helium atomic emission (HeMSI) has been used to create 2D poloidal maps of T e and n e in TCV’s divertor. To achieve these measurements, TCV’s MANTIS multispectral cameras (Perek et al 2019 Rev. Sci. Instrum. 90 123514) simultaneously imaged four He I lines (two singlet and two triplet) and a He II line (468 nm) from passively present He and He + . The images, which were absolutely calibrated and covered the whole divertor region, were inverted through the assumption of toroidal symmetry to create emissivity profiles and, consequently, line-ratio profiles. A collisional-radiative model (CRM) was applied to the line-ratio profiles to produce 2D poloidal maps of T e and n e . The collisional-radiative modeling was accomplished with the Goto helium CRM code (Zholobenko et al 2018 Nucl. Fusion 58 126006, Zholobenko et al 2018 Technical Report , Goto 2003 J. Quant. Spectrosc. Radiat. Transfer 76 331–44) which accounts for electron-impact excitation (EIE) and deexcitation, and electron–ion recombination (EIR) with He + . The HeMSI T e and n e measurements were compared with co-local Thomson scattering measurements. The two sets of measurements exhibited good agreement for ionizing plasmas: ( 5 eV ⩽ T e ⩽ 60 eV , and 2 × 10 18 m − 3 ⩽ n e ⩽ 3 × 10 19 m − 3 ) in the case of majority helium plasmas, and ( 10 eV ⩽ T e ⩽ 40 eV , 2 × 10 18 m − 3 ⩽ n e ⩽ 3 × 10 19 m − 3 ) in the case of majority deuterium plasmas. However, there were instances where HeMSI measurements diverged from Thomson scattering. When T e ⩽ 10 eV in majority deuterium plasmas, HeMSI deduced inaccurately high values of T e . This disagreement cannot be rectified within the CRM’s EIE and EIR framework. Second, on sporadic occasions within the private flux region, HeMSI produced erroneously high measurements of n e . Multi-spectral imaging of Helium emission has been demonstrated to produce accurate 2D poloidal maps of T e and n e within the divertor of a tokamak for plasma conditions relevant to contemporary divertor studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Precision Measurement of Net-Proton-Number Fluctuations in Au + Au Collisions at RHIC

We report precision measurements on cumulants (𝐶 𝑛 ) and factorial cumulants (𝜅 𝑛 ) of (net) proton number distributions up to fourth order in Au + Au collisions over center-of-mass energies $\sqrt{s_{NN}}$ = 7.7–27 GeV from phase II of the Beam Energy Scan program at RHIC. (Anti)protons are selected at midrapidity (|𝑦| < 0.5) within a transverse momentum range of 0.4 < 𝑝 𝑇 < 2.0 GeV/𝑐. Relative to various noncritical-point model calculations and peripheral collision 70%–80% data, the net proton 𝐶 4 /𝐶 2 measurement in 0%–5% collisions shows a minimum around 19.6 GeV for significance of deviation at ∼2–5⁢𝜎. A minimum in 𝐶 4 /𝐶 2 with respect to a noncritical baseline is expected to be a characteristic feature of the signature associated with a critical point in the QCD phase diagram. In addition, deviations from noncritical baselines around the same collision energy region are also seen in proton factorial cumulant ratios, especially in 𝜅 2 /𝜅 1 and 𝜅 3 /𝜅 1 . As a result, dynamical model calculations including a critical point are called for in order to understand these precision measurements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

MURR LEU structural and thermal hydraulics analyses: Part II – Impacts of irradiation thermo-mechanical behavior on thermal hydraulics safety analyses

A series of structural analyses have been performed to support the conversion of the University of Missouri Research Reactor (MURR) from the use of highly enriched uranium (HEU; ≥20 wt% U-235) to low-enriched uranium (LEU; <20 wt% U-235) fuel. The irradiation thermo-mechanical analysis evaluated the effects of fuel swelling, irradiation creep, thermal expansion, as well as thermal resistance from the oxide layer growth for the MURR LEU element in prototypic thermal and irradiation conditions as presented in Part I of this article. Overall, this irradiation thermo-mechanical analysis predicts smaller gap thickness reductions in previously limiting regions, and larger reductions in the middle of the outermost end channels where power density is not typically a maximum. Due to substantial differences between the channel gap reductions assumed for the previous safety analyses and those predicted by the irradiation thermo-mechanical analysis, a need to evaluate their impact on the thermal hydraulics safety analyses arose. This article presents the results from the steady-state safety analysis for normal operation as well as the two most limiting accident scenarios. The calculation models were revised in order to account for the spatial and temporal variation of the channel gap thicknesses. The results show that sufficient safety margins are still maintained for normal operation as well as during the postulated accident transients. This work provides a methodology of incorporating the irradiation thermo-mechanical behavior of plate-type fuel into the thermal hydraulics safety analyses.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Measurement of directed flow in Au + Au collisions at $\sqrt{s{NN}}$ = 19.6 and 27 GeV with the STAR event plane detector

In heavy-ion collision experiments, the global collectivity of final-state particles can be quantified by anisotropic flow coefficients (𝑣 𝑛 ) . The first-order flow coefficient, also referred to as the directed flow (𝑣 1 ), describes the collective sideward motion of produced particles and nuclear fragments in heavy-ion collisions. It carries information on the very early stage of the collision, especially at large pseudorapidity (𝜂), where it is believed to be generated during the nuclear passage time. Directed flow therefore probes the onset of bulk collective dynamics during thermalization, providing valuable experimental guidance to models of the pre-equilibrium stage. In 2018, the Event Plane Detector (EPD) was installed in STAR and used for the Beam Energy Scan phase-II (BES-II) data taking. The combination of EPD (2.1 < |𝜂| < 5.1) and high-statistics BES-II data enables us to extend the 𝑣 1 measurement to the forward and backward 𝜂 regions. In this paper, we present the measurement of 𝑣 1 over a wide 𝜂 range in Au + Au collisions at $\sqrt{s_{NN}}$ = 19.6 and 27 GeV using the STAR EPD. The results of the analysis at $\sqrt{s_{NN}}$ = 19.6 GeV exhibit excellent consistency with the previous PHOBOS measurement, while elevating the precision of the overall measurement. The increased precision of the measurement also revealed finer structures in heavy-ion collisions, including a potential observation of the first-order event-plane decorrelation. Multiple physics models were compared to the experimental results. Only a transport model and a three-fluid hybrid model can reproduce a sizable 𝑣 1 at large 𝜂 as was observed experimentally. The model comparison also indicates 𝑣 1 at large 𝜂 might be sensitive to the QGP phase transition.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

DIISC-II: Unveiling the Connections between Star Formation and Interstellar Medium in the Extended Ultraviolet Disk of NGC 3344

We present our investigation of the extended ultraviolet (XUV) disk galaxy, NGC 3344, conducted as part of Deciphering the Interplay between the Interstellar medium, Stars, and the Circumgalactic medium survey. We use surface and aperture photometry of individual young stellar complexes to study star formation and its effect on the physical properties of the interstellar medium. We measure the specific star formation rate (sSFR) and find it to increase from 10 –10 yr –1 in the inner disk to >10 –8 yr –1 in the extended disk. This provides evidence for inside-out disk growth. If these sSFRs are maintained, the XUV disk stellar mass can double in ~0.5 Gyr, suggesting a burst of star formation. The XUV disk will continue forming stars for a long time due to the high gas depletion times (τ dep ). The stellar complexes in the XUV disk have high-Σ H I and low-Σ SFR with τ dep ~ 10 Gyr, marking the onset of a deviation from the traditional Kennicutt–Schmidt law. We find that both far-ultraviolet (FUV) and a combination of FUV and 24 μm effectively trace star formation in the XUV disk. Hα is weaker in general and prone to stochasticities in the formation of massive stars. Investigation of the circumgalactic medium at 29.5 kpc resulted in the detection of two absorbing systems with metal-line species: the stronger absorption component is consistent with gas flows around the disk, most likely tracing inflow, while the weaker component is likely tracing corotating circumgalactic gas.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Measurements of WH and ZH production with Higgs boson decays into bottom quarks and direct constraints on the charm Yukawa coupling in 13 TeV pp collisions with the ATLAS detector

A study of the Higgs boson decaying into bottom quarks (H → $b\bar{b}$) and charm quarks (H → $c\bar{c}$) is performed, in the associated production channel of the Higgs boson with a W or Z boson, using 140 fb −1 of proton-proton collision data at $\sqrt{s}$ = 13 TeV collected by the ATLAS detector. The individual production of WH and ZH with H → $b\bar{b}$ is established with observed (expected) significances of 5.3 (5.5) and 4.9 (5.6) standard deviations, respectively. Differential cross-section measurements of the gauge boson transverse momentum within the simplified template cross-section framework are performed in a total of 13 kinematical fiducial regions.

Hadron-Hadron Scattering↗

DOE OSTI2026

Hot-Carrier Injection and Millisecond Charge Separation from a Robust Heteroleptic Iron(II) Chromophore Immobilized on TiO 2

The synthesis, spectroscopic characterization, computational analysis, and photoelectrochemical behavior of a new iron-based chromophore, [(Cpy) 2 Fe- (deeb)](PF 6 ) 2 (Fe(Cpy) 2 (deeb)), where Cpy is 1-methyl-3-(2-pyridyl)imidazole and deeb is 4,4’-(CO 2 CH 2 CH 3 ) 2 -2,2’-bipyridine, is reported. Electrochemically reversible waves assigned to a metal-centered E o (Fe III/II ) = +0.48 and a ligand-centered E o (Fe 2+/+ ) = −1.47 V vs Fc +/0 reduction were evident in cyclic voltammetry measurements. The combination of a strong σ-donor and a π-acceptor lowered the energy of the metal-toligand charge-transfer (MLCT) excited state relative to the metal-centered state. Two MLCT transitions appear in the visible region at 424 and 580 nm. TDDFT calculations revealed that the lower-energy band was well formulated as Fe(II)→deeb, and the higher-energy transition was charge transfer to both the deeb and Cpy ligands. Resonance Raman spectroscopy supports these findings showing enhanced deeb vibrational modes with 532 nm excitation, both deeb and Cpy modes with 473 nm excitation, and exclusively Cpy with 405 nm excitation. Ultrafast spectroscopy reveals a short-lived (∼2 ps) MLCT excited state and a longer-lived (∼20 ps) metal-centered state. Efficient methods to deprotect the ester groups and anchor the complex to mesoporous TiO 2 (anatase) thin films in high surface coverages, Fe(Cpy) 2 (dcb)|TiO 2 σ = 3 × 10 −8 mol/cm 2 , were established. Pulsed light excitation of Fe(Cpy) 2 (dcb)|TiO 2 resulted in rapid excited state injection (k inj > 10 8 s −1 ) and formation of a charge-separated state, Fe III (Cpy) 2 (dcb)|TiO 2 (e), which persists on the millisecond time scale before returning cleanly to the ground state with secondorder kinetics. Injection yields measured 50 ns after light excitation were found to double from Φ = 0.15 with green (532 nm) light to 0.30 with blue (457 nm) light excitation. Incident photon-to-current efficiency (% IPCE) measurements as a function of excitation wavelength in a 0.5 M LiI/I 2 /CH 3 CN electrolyte provide clear evidence for band-selective “hot carrier” injection from the remote Cpy-localized excited state. Collectively, the spectroscopic and photoelectrochemical data indicate that a semiconductor can intercept hot electrons from iron chromophores even when the excited-state dipole is oriented away from the surface-anchoring ligand.

Charge transfer↗

DOE OSTI2025

Recoil polarization in 𝐾 + ⁢𝑌 electroproduction in the nucleon resonance region with CLAS12

Hyperon recoil polarization measurements for the exclusive electroproduction of 𝐾 + ⁢Λ and 𝐾 + ⁢Σ 0 final states from an unpolarized proton target have been carried out using the CLAS12 spectrometer at Jefferson Laboratory. The measurements at beam energies of 6.535 and 7.546 GeV span the range of four-momentum transfer 𝑄 2 from 0.3 to 4.5GeV 2 and invariant mass 𝑊 from 1.6 to 2.4 GeV, while covering the full center-of-mass angular range of the 𝐾 + . These new Λ polarization observables extend the existing data in a similar kinematic range but from a significantly larger dataset. However, they represent the first electroproduction measurements of this observable for the Σ 0 . These data will allow for better exploration of the reaction mechanism in strangeness production, for further understanding of the spectrum and structure of excited nucleon states that couple to 𝐾⁢𝑌, and for improved insight into the strong interaction in the nonperturbative domain.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗