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At least 73 records · Page 4

Integrated Transmission-Distribution Multi-Period Switching for Wildfire Risk Mitigation: Improving Speed and Scalability with Distributed Optimization: Preprint

With increasingly severe wildfire conditions driven by climate change, utilities must manage the risk of wildfire ignitions from electric power lines. During "public safety power shutoff'" events, utilities de-energize power lines to reduce wildfire ignition risk, which may result in load shedding. Distributed energy resources provide flexibility that can help support the system to reduce load shedding when lines are de-energized. We investigate a coordinated transmission-distribution optimization problem that balances wildfire risk mitigation and load shedding. We model distribution systems that include battery energy storage systems which may support loads when transmission lines are de-energized. This multi-period integrated transmission-distribution optimal switching problem jointly optimizes line switching decisions, the generators' setpoints, load shedding, and the batteries' states of charge, resulting in significant computational challenges. To improve scalability, we decompose the problem over both space and time and apply a distributed optimization algorithm. Using a large-scale synthetic California test case with realistic distribution models and real wildfire risk data, we show that distributed optimization can solve large-scale multi-period switching problems that are otherwise intractable for centralized solvers. We also discuss challenges and future directions for improving the distributed algorithm's convergence performance as the number of time periods increases.

24 POWER TRANSMISSION AND DISTRIBUTION

Kinetics Measurements in Resistive Electrolytes Using Ring-Disk Electrode: Ring as Current “Shield” Enables Uniform Disk Current Distribution

Rotating disk electrodes are commonly used for electrochemical kinetics measurements. A major disadvantage of these types of electrodes is their nonuniform secondary current distribution, especially when performing electroanalytical measurements in resistive electrolytes. Such nonuniform current distribution can render the values of kinetics constants extracted from the disk electrode to be highly inaccurate. Furthermore, one emerging class of electrolytes that suffer from low ionic conductivities is deep eutectic solvents (DES). DES are a promising class of electrolytes for various emerging applications; however, due to their resistive nature, the secondary current distribution when using them is typically highly nonuniform. For example, the Wagner number when measuring Cu²⁺/Cu⁺ kinetics in choline chloride–ethylene glycol DES (1:4 molar ratio of ChCl:EG) is very low (<0.1), indicating highly nonuniform current distribution over the disk electrode. We show here that the Cu²⁺/Cu⁺ exchange current density measured using disk electrodes is very inaccurate due to the aforementioned nonuniform current distribution. To obtain uniform disk current distribution, we employ here a coplanar concentric rotating ring-disk electrode (RRDE), where the ring serves the function of a current “shield.” Specifically, we show using modeling that the ring minimizes the current distribution nonuniformity at the disk by effectively shielding the disk against current spikes near the disk edge. This enables improved precision in electrode kinetics measurements for the Cu²⁺/Cu⁺ couple in resistive DES. To enable broad applicability of this technique, an analytical expression based on the Wagner number is integrated into an iterative algorithm to help users identify ring conditions to achieve uniform current distribution and thus improved electroanalytics at the disk.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Universal method for the optimization of HDC coating uniformity on non-planar, non-stationary substrates for inertial confinement fusion targets

The thickness uniformity of chemical vapor deposited (CVD) diamond coatings on non-planar, non-stationary substrates depends on both the intrinsic instantaneous coating thickness distribution (ICTD) of the coating conditions used and, if applicable, on the frequency of substrate reorientation. While important for many CVD diamond applications, the relative impact of the ICTD and substrate reorientation on the coating thickness uniformity has not been studied. In this work, we systematically investigate the effect of these factors for microwave-plasma chemical vapor deposition (MPCVD) of diamond (referred to as high density carbon (HDC) in the inertial confinement fusion (ICF) community) coatings on spherical, rolling substrates. This coating technique is used to fabricate capsules for ICF experiments, which require extreme coating uniformity with <0.3 % thickness variation (so-called Mode 1 or M1) to ensure symmetric compression of imploding targets. To extract the otherwise unobservable reorientation timescale (Δt), Monte Carlo simulations were performed using experimental ICTD data as input. This combined approach confirms scaling relationships between the substrate reorientation timescale as well as coating thickness and coating uniformity, as expected from a 3D random walk. Simulations confirm that M1 is Rayleigh-distributed and scales as (Δt) 1/2 , consistent with the randomization of two angles that determine orientation of a sphere. We also demonstrate that, under the conditions studied, Δt is the dominant factor in determining thickness uniformity while the intrinsic ICTD has minimal impact. Finally, experiments show that Δt can be affected by total batch size under constant agitation conditions due to space constraints that limit the capsule reorientation kinetics. In conclusion, this study highlights the utility of a combined experiment-simulation approach as a general methodology for understanding and improving coating uniformity on non-planar, non-stationary substrates.

Capsule

Measurement of three-dimensional inclusive muon-neutrino charged-current cross sections on argon with the MicroBooNE detector

We report the measurement of the triple-differential cross section d 3 σ/dE vis d cos(θ μ )dP μ for inclusive muon-neutrino charged-current scattering on argon. This measurement utilizes data from 6.4 x 10 20 protons on target of exposure collected using the MicroBooNE liquid argon time projection chamber located along the Fermilab Booster Neutrino Beam with a mean neutrino energy of approximately 0.8 GeV. The mapping from reconstructed kinematics to truth quantities is validated within uncertainties by comparing the distribution of reconstructed hadronic energy in data to that of the model prediction in different muon scattering angle bins after applying a conditional constraint from the muon momentum distribution in data. The success of this validation provides confidence that the energy transfer in the MicroBooNE detector is well-modeled within simulation uncertainties, enabling a reliable unfolding to a triple-differential cross section defined at the nominal neutrino flux over muon momentum, muon scattering angle, and visible neutrino energy. This validation not only supports accurate cross-section extraction, but also establishes a critical foundation for tuning interaction models used in future neutrino oscillation measurements. The unfolded measurement covers an extensive phase space, providing a wealth of information useful for future liquid argon time projection chamber experiments measuring neutrino oscillations. Comparisons against a number of commonly used model predictions are included and their performance in different parts of the available phase-space is discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND

Numerical framework for integrated additive manufacturing-compression molding (AM-CM) of thermoplastic composites

Additive manufacturing-compression molding (AM-CM) has emerged as a transformative technology in advanced composite manufacturing. Additive manufacturing (AM) offers high design flexibility and the ability to produce complex geometries with precisely aligned fibers in the preferred orientation. Compression molding (CM) enhances composite materials by providing excellent dimensional stability, reduced porosity, high production rates, and a smooth surface finish. Despite these advantages, extensive integrated analysis is required to optimize processing conditions for improved fiber orientation distribution (FOD) and porosity control. Here, this study develops a comprehensive numerical model to simulate the AM-CM manufacturing process. The model isolates the effects of both the AM and CM phases while also capturing their integration. Additionally, it accounts for heat transfer, temperature-dependent viscosity, and fiber orientation in the extruded fiber-filled polymer, accurately representing material behavior during processing. This approach enables the analysis of interactions between deposited beads of complex strand shapes and their interface regions after full compression. Moreover, the model predicts key parameters such as polymer flowability, fiber orientation, and temperature evolution in AM-CM parts. By optimizing processing conditions, it facilitates a controlled and predictable microstructure.

36 MATERIALS SCIENCE

Hopping mediated transport between finite pools of redox proteins

Transport reactions in biology involve the flow of particles—electrons, ions, or molecules—between reservoirs. Here, we explore how electron transport between finite reservoirs depends on the nature of the reservoirs, including their size, occupancy, and interactions. We compare the transport kinetics produced by narrowband and wideband infinite reservoir models (described earlier) with a finite narrowband reservoir model. The transport between finite reservoirs is found to depend on both the initial charge distribution and the number of carriers present. Whether or not a steady-state transport regime is accessed prior to reaching the equilibrium charge distribution depends on these initial conditions.

10 SYNTHETIC FUELS

Alteration of phycobilisome excitation energy transfer properties in response to attenuations in peripheral electron flow

In Synechocystis sp. PCC 6803 ( S . 6803), two types of phycobilisome (PBS) complexes, CpcG-PBS and CpcL-PBS, function to harvest light energy for photosynthetic reaction centers (RCs), photosystem I (PSI) and photosystem II (PSII). The compositional differences between these two forms of PBS and their specificity for RCs have led to suggestions that they may differ in function. To address this question, we examined how PBS-RC interactions, and the transfer of excitation energy from PBS to RCs, might be adjusted under conditions where electron demand and photon availability are modulated. The CpcG-PBS, CpcL-PBS, and RC complexes were isolated from a S . 6803 strain defective in expression of flavodiiron 1 (oxygen reduction reaction 1, ORR1) grown under varied light regimes. The energy transfer preference from CpcL-PBS to either PSI or PSII was investigated by in vitro crosslinking and 77 K fluorescence emission spectroscopy to assess energy transfer efficiency under photoexcitation. While the results demonstrate that the transfer of excitation energy from CpcL-PBS favors PSI over PSII in WT strains as previously shown, the preference of CpcL-PBS switches from PSI to PSII in ORR1 strains. Surprisingly, this change in preference was reproduced when ORR1 CpcL-PBS was crosslinked with WT RCs, or when WT CpcL-PBS was cross-crosslinked with ORR1 RCs, indicating there are physical modifications to both PBS and RCs that mediate the preference switch. In contrast, the analysis with ORR1 CpcG-PBS shows similar preferences to WT. Additionally, PBS populations in ORR1 shifted to a greater proportion of CpcL-PBS relative to CpcG-PBS. These results demonstrate that under conditions where electron utilization changes, there is a tuning of the excitation energy allocation from CpcL-PBS to RCs to manage the energy distribution for photosynthesis under dynamic flux conditions.

59 BASIC BIOLOGICAL SCIENCES

Marine Aerosol to Refinery Emissions: Transport and Evolution of CCN in the Houston Metropolitan Area and Their Impact on Cloud Formation

The Experiment of Sea Breeze Convection, Aerosols, Precipitation and Environment (ESCAPE) campaign aimed to untangle the impacts of contrasting aerosol sources on cloud microphysical properties within deep convective cells using airborne observations with the National Research Council Canada (NRC) Convair CV‐580 research aircraft. Horizontal and vertical gradients of aerosol number size distributions, total aerosol concentrations and cloud condensation nuclei (CCN) spectra were measured in the lower troposphere to quantify the impact of different aerosol sources on aerosol‐cloud interactions. This study focuses on a research flight dedicated to characterizing the aerosol and CCN properties in the Houston Metropolitan region and identifies five main categories of aerosols based on characteristics of aerosol number size distributions, their CCN properties and meteorological conditions. These categories encompassed more than two orders of magnitude differences in aerosol and CCN concentrations, yet their hygroscopic properties remained similar. Aerosol number size distributions and effective hygroscopicity parameters are used to generate continuous CCN spectra to represent the major aerosol types. The different CCN spectra are then incorporated into a 1‐D aerosol‐cloud parcel model using a large range of updrafts selected in the range of those observed during the ESCAPE campaign to assess the impact of the major aerosol sources in Houston on deep convective cloud microphysical properties.

aerosol-cloud interactions

Intrinsic Kinetics of Polyethylene Terephthalate Pyrolysis via Micropyrolysis and Multivariate Chromatographic Analysis

This study provides an in-depth investigation of the primary decomposition of polyethylene terephthalate (PET) via pyrolysis, employing an experimental-analytic workflow that integrates design of experiments (DoE), micropyrolysis coupled with comprehensive two-dimensional gas chromatography (GC×GC), and multivariate data analysis to verify intrinsic kinetic conditions and elucidate evolving product distributions for mapping key reaction pathways. Peaks that could not be identified using commercial spectral libraries were assigned using Mass Frontier simulations, enabling the identification of divinyl terephthalate, ethyl vinyl terephthalate, and 2-(benzoyloxy)ethyl vinyl terephthalate. A polar×polar (non-orthogonal) column set tailored for the detection of carboxylic acids enhanced the quantification of benzoic acid, 4-vinylbenzoic acid, 4-ethylbenzoic acid, and methylbenzoic acid by up to 6-fold relative to an orthogonal column combination (non-polar×mid-polar). Moreover, pyrolysis variables were systematically evaluated using a Box- Behnken design (BBD), encompassing pyrolysis temperature (500−600 °C), sample weight (50−150 μg), and carrier gas flow rate (100−300 mL min −1 ). Among these, pyrolysis temperature was the only statistically significant factor influencing product yields, ranging from 58.78 to 84.26 wt %. In contrast, neither the sample weight nor the carrier gas flow rate had a significant effect on product yields within the evaluated experimental space. At 600 °C, the major pyrolysis products were benzoic acid (up to 20.20 ± 1.46 wt %) and CO 2 (up to 21.28 ± 1.46 wt %), which can be produced through decarboxylation reactions. These findings underscore the critical importance of selecting appropriate analytical columns for the accurate quantification of heteroatomcontaining products such as carboxylic acids, which may otherwise be underestimated or undetected due to their reactivity with the stationary phase of non-polar and mid-polar columns, as well as other GC components. They also highlight the importance of selecting pyrolysis conditions for investigating the primary decomposition of PET under an isothermal kinetically limited regime.

aromatic compounds

Networked Microgrid Topology Reconfiguration to Promote Fairness in Proactive Load Shedding

Increasing occurrences of natural disasters and grid emergency events consistently challenge the safe and reliable operations of power systems. During such emergency situations, system operators may proactively shed load to mitigate risks. However, uncoordinated implementation of load shedding may disrupt electricity supply and even lead to cascading failures. Meanwhile, it is crucial to address potential biases affecting different customers when executing load shedding. This paper addresses the dynamic topology reconfiguration problem for networked microgrids with distributed energy resources under emergency conditions. Specifically, we propose a novel rolling-horizon optimization model that integrates fairness-aware constraints into the networked microgrid topology reconfiguration. Unlike existing approaches that focus solely on efficiency or apply fairness considerations in static settings, our method explicitly incorporates temporal fairness constraints to restrict repeated or excessive load curtailment for load blocks. Moreover, the fairness-aware constraints are specifically developed for the context of dynamic networked microgrid topology reconfiguration, and are designed to be convex or amenable to linear reformulations, which offers a more tractable alternative to traditional models with non-convex formulations. Numerical studies on a modified IEEE 13-bus system and a larger-sized SMART-DS networked microgrid system demonstrate the performance of the proposed algorithm towards more fairness-aware networked microgrid topology reconfiguration decision-making.

24 POWER TRANSMISSION AND DISTRIBUTION

4-Electron Oxygen Reduction Reaction (ORR) with Iron Phthalocyanine (FePc) Functionalized Nanowire Templated-3D Fuzzy Graphene (NT-3DFG)

Iron phthalocyanine (FePc) is a promising alternative to platinum-based catalysts for sustainable energy devices; however, the plane-symmetry of Fe-N 4 sites, random aggregation, and poor conductivity of FePc present major barriers for their application as oxygen reduction reaction (ORR) electrocatalysts. Here, we report the synergistic effects of FePc electrocatalysts supported by a nanowire-templated three-dimensional fuzzy graphene (FePc@NT-3DFG) substrate. The in situ functionalized oxygen groups (iFOGs) at the edge of NT-3DFG localize Fe active sites in FePc under alkaline ORR conditions. With a uniform FePc distribution through many single layers of graphene, the NT-3DFG substrates improve O 2 adsorption and catalytic activity while stabilizing the electrochemical activity during reactions. The FePc@NT-3DFG catalyst exhibits fast ORR kinetics with an extremely low Tafel slope of 28.3 ± 2.7 mV dec −1 , a higher half-wave potential of 0.911 ± 0.004 V (vs RHE), and notable long-term stability at 0.5 V (vs RHE) of 96.0 ± 0.4% retention after 30 h. Surface chemistry spectra validate electronic configuration modification of Fe at the iFOGs. Density functional theory calculations indicate that the extra layers of graphene improve oxygen adsorption. Moreover, additional exploration of other transition metal phthalocyanines supports the effects of iFOGs through the transition toward 4e − ORR. This work offers an expanded strategy for active site modification through edge-based graphene substrates for 4e − ORR.

X-ray absorption spectroscopy

Structural constraint integration in a generative model for the discovery of quantum materials

Billions of organic molecules have been computationally generated, yet functional inorganic materials remain scarce due to limited data and structural complexity. Here, in this work, we introduce Structural Constraint Integration in a GENerative model (SCIGEN), a framework that enforces geometric constraints, such as honeycomb and kagome lattices, within diffusion-based generative models to discover stable quantum materials candidates. SCIGEN enables conditional sampling from the original distribution, preserving output validity while guiding structural motifs. This approach generates ten million inorganic compounds with Archimedean and Lieb lattices, over 10% of which pass multistage stability screening. High-throughput density functional theory calculations on 26,000 candidates shows over 95% convergence and 53% structural stability. A graph neural network classifier detects magnetic ordering in 41% of relaxed structures. Furthermore, we synthesize and characterize two predicted materials, TiPd 0.22 Bi 0.88 and Ti 0.5 Pd 1.5 Sb, which display paramagnetic and diamagnetic behaviour, respectively. Our results indicate that SCIGEN provides a scalable path for generating quantum materials guided by lattice geometry.

36 MATERIALS SCIENCE

Observing differential spin currents by resonant inelastic X-ray scattering

Controlling spin currents, that is, the flow of spin angular momentum, in small magnetic devices, is the principal objective of spin electronics, a main contender for future energy-efficient information technologies. A pure spin current has never been measured directly because the associated electric stray fields and/or shifts in the non-equilibrium spin-dependent distribution functions are too small for conventional experimental detection methods optimized for charge transport. Here we report that resonant inelastic X-ray scattering (RIXS) can bridge this gap by measuring the spin current carried by magnons—the quanta of the spin wave excitations of the magnetic order—in the presence of temperature gradients across a magnetic insulator. This is possible due to the sensitivity of the momentum- and energy-resolved RIXS intensity to minute changes in the magnon distribution under non-equilibrium conditions. Furthermore, we use the Boltzmann equation in the relaxation time approximation to extract transport parameters, such as the magnon lifetime at finite momentum, essential for the realization of magnon spintronics.

36 MATERIALS SCIENCE

Investigation of divertor detachment induced through neon seeding and density ramp on HL-3

A new self-consistent 1D scrape-off layer model has been recently developed in BOUT++ framework, named SD1D, which includes equations for various particle species (e.g. main plasma, neutrals and impurities) and couples open databases like ADAS and AMJUEL. It is able to quickly and effectively simulate divertor detachment experiments. In this work, a typical detachment experiment (shot #6270) on HL-3 with neon seeding is simulated using the SD1D code. It is found that the target electron temperature and the target ion saturation current in the simulations are consistent with experimental results measured by Langmuir probes on the target plate. The variation of D α radiation intensity in the divertor is qualitatively similar to the measured D α signal. Following the experimental validations, different upstream densities are set in the simulations to study the impurity distribution under different plasma density conditions. It is found that increasing upstream density can be helpful for the control of the neon radiation front (closer to the target). In this work we also compare two detachment regimes in simulations. Based on the same initial experimental parameters (shot #6270) on HL-3, a scan of upstream density and a scan of neon seeding rate are carried out respectively. It is found that the role of atomic and molecular processes is different in the two detachment regimes. The current density roll-over is ascribed to a drop in the divertor ion source, and the variation of D α radiation intensity via different excitation channels is associated with the relevant collisional reaction sources.

BOUT++

Distribution System Resilience Assessment Considering PV Vulnerabilities for Hurricane Events

Distribution networks are increasingly vulnerable to damage and outages from extreme weather events. The integration of solar photovoltaics (PVs) further complicates resilience analysis due to its weather-dependent nature. However, limited research has examined the impacts of weather on PVs under severe events like hurricanes. This paper proposes a probabilistic framework to assess distribution system resilience considering PV vulnerabilities during hurricanes. The framework incorporates (i) a spatiotemporal fragility model to evaluate failure probabilities for distribution lines and PVs, and (ii) resilience indices at both system and component levels. The approach offers valuable insights into the resilience of modern distribution grids under extreme weather conditions. Numerical results on the unbalanced IEEE 123-bus test system validate the effectiveness of the framework.

Vahedi, Soroush [University of Connecticut, Storrs

Detecting outbreaks using a spatial latent field

In this paper, we present a method for estimating the infection-rate of a disease as a spatial-temporal field. Our data comprises time-series case-counts of symptomatic patients in various areal units of a region. We extend an epidemiological model, originally designed for a single areal unit, to accommodate multiple units. The field estimation is framed within a Bayesian context, utilizing a parameterized Gaussian random field as a spatial prior. We apply an adaptive Markov chain Monte Carlo method to sample the posterior distribution of the model parameters condition on COVID-19 case-count data from three adjacent counties in New Mexico, USA. Our results suggest that the correlation between epidemiological dynamics in neighboring regions helps regularize estimations in areas with high variance (i.e., poor quality) data. Using the calibrated epidemic model, we forecast the infection-rate over each areal unit and develop a simple anomaly detector to signal new epidemic waves. Our findings show that anomaly detector based on estimated infection-rates outperforms a conventional algorithm that relies solely on case-counts.

Safta, Cosmin [Sandia National Laboratories (SNL-C

Evaluation of UKESM aerosol size and composition using ATom measurements indicates missing marine aerosol formation mechanisms

Atmospheric aerosols influence climate through their interactions with radiation and clouds, yet large uncertainties remain in their simulation by global models. This study evaluates the United Kingdom Earth System Model version 1.1 (UKESM1.1) using global-scale aircraft observations from the Atmospheric Tomography (ATom) mission, focusing on aerosol lifecycle processes in the remote marine atmosphere. We assess model performance in simulating aerosol precursor vapours, number size distributions, chemical composition, and environmental conditions. Several process improvements are tested, including sulfuric acid-ammonia nucleation, ammonium nitrate scheme, methanesulfonic acid condensation, and low-temperature isoprene-derived secondary organic aerosol formation. Model biases differ significantly between the upper troposphere (UT) and the marine boundary layer (MBL). In the UT, UKESM1.1 overestimates nucleation and Aitken mode particles while underestimating accumulation mode, indicating insufficient growth. In the MBL, the model overestimates primary aerosols (e.g. seasalt) and precursor gases but underestimates nucleation and Aitken mode particles, even after incorporating updated nucleation and ammonium nitrate scheme. The persistence of low aerosol number concentrations, despite overestimated precursors, suggests missing formation pathways likely involving other species such as iodine, amines, and organic vapours. These limitations result in an unbalanced cloud condensation nuclei budget that over-relies on primary emissions. Sensitivity tests reveal that model outputs are strongly influenced by dimethyl sulfide emissions and vapour condensation schemes. Our results highlight the need for future model development to prioritise mechanistic representation of currently missing aerosol sources, rather than relying on empirical tuning, to improve aerosol-climate interaction estimates.

He, Xu-Cheng [Univ. of Cambridge (United Kingdom);

Rehydration of metastudtite in the alteration kinetics of α– and β–U 3 O 8 in dilute aqueous solutions of hydrogen peroxide

The formation of alteration phases on uranium ore concentrates and used nuclear fuels under oxidizing conditions is key to understanding the potential mobility of radionuclides in the environment and designing optimal storage conditions of materials. However, the time-dependent distribution of alteration phases on α– and β–U 3 O 8 under oxidizing conditions has yet to be explored. Here, in this study, crystalline powders of α– and β–U 3 O 8 were submerged in aqueous solutions of hydrogen peroxide (1.6 × 10 −1 to 5.4 × 10 −5 M) with aliquots of solution and solid removed for analysis at 1, 8, 15, 22, 29, 36, 46, 58, 71, and 83 days. Within one day there is significant alteration of U 3 O 8 to the uranyl peroxide metastudtite, [(UO 2 )(O 2 )(H 2 O) 2 ], that is replaced by studtite, [(UO 2 )(O 2 )(H 2 O) 2 ]·2H 2 O, within a week regardless of the polymorph of U 3 O 8 or the initial concentration of H 2 O 2 in solution, as determined by partial least squares regression (PLSR) of Raman spectra collected from the solids. A dissolution/reprecipitation mechanism is proposed for both the alteration of U 3 O 8 to metastudtite and the subsequent alteration of both U 3 O 8 and metastudtite to studtite. The two polymorphs of U 3 O 8 exhibit similar rates and extents of alteration over time. The rehydration of metastudtite to studtite has not been previously reported and highlights the need for future work to determine the mechanism by which metastudtite is converted to studtite and what other conditions facilitate this rehydration.

Alteration of U3O8