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At least 307 records · Page 17

Reactivity of the Hydrated Electron

Hydrated electrons are created in virtually every radiation environment and in many photochemical or electrochemical environments where liquid water is present, so their reaction products and reaction rate constants are naturally important in applications. Thanks to the strong optical absorbance of (e - ) aq , these rate constants are easy to measure, and a large database has been accumulated. It is not generally appreciated that no working theory of hydrated electron reaction rates presently exists. We discuss key experimental observations of hydrated electron reactions in the context of recent progress in theoretical and simulation developments toward understanding them, made possible by ever increasing computational power.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CoVVVR: Control Variates & Vegas Variance Reduction

This package is a wrapper over the vegas integration package. The control variate variance reduction method is applied to the function when integrated along with the techniques applied in vegas such as importance sampling. To understand control variates, lets first look at how Monte Carlo works.

Scott, JacobL. [Univ. of Kansas, Lawrence, KS (Uni↗

Turbulence and Cloudiness in Cumulus-Topped Marine Boundary Layers

Turbulence and cloudiness in cumulus-topped marine boundary layers are studied using data from the Atmospheric Radiation Measurement (ARM) Eastern North Atlantic (ENA) site. The analysis includes eight periods of nonprecipitating shallow cumulus clouds, spanning 141 h and encompassing 603 individual clouds. On average, the cumulus had bases at 558 m, were 99 m thick, had a chord length of 500 m, and exhibited an hourly base-layer cloudiness of 12%. Changes in cloud fraction were primarily driven by variations in cloud number not chord length. High-resolution Doppler lidar and cloud radar observations were used to estimate updraft and downdraft mass fluxes in the cumulus base layer under both clear and cloudy regions. Cloudy updrafts contributed only ∼23% of the total updraft mass flux at cloud base, indicating that most upward mass flux originated from clear-air eddies. Updraft strength, rather than updraft fraction, was found to predominantly control both clear and cloudy updraft mass fluxes. Cloud-base cloudiness strongly correlated with cloudy updraft mass flux but showed negligible correlation with clear-air updraft mass flux. Clear-air downdraft mass flux exhibited a strong relationship with the ratio of surface buoyancy to inversion strength. Mesoscale analysis revealed that moist patches had greater cloudiness, updraft mass flux, and vertical velocity variance compared to dry patches. Additionally, mesoscale base-layer cloud fraction was highly and significantly correlated with cloudy updraft mass flux in both dry and moist environments. Results presented herein have implications for cumulus parameterization development along with climatological and model evaluation studies conducted at the ENA site.

cumulus clouds↗

Enhancement of harmonic generation by an intense driving laser with high-order waveguide modes in a high-pressure gas-filled hollow waveguide

High-order harmonics have been widely used as reliable tabletop coherent radiation sources recently, but their applications have often been limited by the available pulse energy. Here, we report that by using an overdriven intense laser in a long waveguide with high-pressure gas, phase matching can be achieved in three distinct “regimes”. In the third regime, favorable phase matching is achieved at near-axis positions to enhance harmonic yields. Our results are supported by a full theoretical analysis, and we demonstrate that coupling of the driving laser with the high-order waveguide modes (instead of the fundamental mode used in most prior experiments) is responsible for achieving phase matching. Furthermore, we establish that this phase matching (and harmonic enhancement) is robust, and a scaling relation is derived for the necessary waveguide and gas parameters, allowing our predictions to be tested immediately in any laboratory today.

Li, Baochang [Nanjing University of Science and Te↗

Hearing carrier-envelope offset frequency and phase in air with a microphone

Attosecond science and frequency metrology rely on the precise measurement and control of the laser pulse waveform, a feat traditionally achieved using optoelectronic techniques. In this study, we conducted a laser-induced acoustic experiment in air ionized by carrier-envelope phase (CEP)-stabilized sub-4 fs pulses. Our results reveal that the acoustic signal exhibits CEP dependence in few-cycle pulses, primarily through amplitude modulation from laser-driven ionization. This optoacoustic phenomenon is, to the best of our knowledge, a novel phenomenon that enables not only the measurement of the carrier-envelope offset frequency but also the direct characterization of the waveform of optical pulses through a microphone. Our study highlights the potential of laser-induced acoustic waves for advancing ultrafast science.

Han, Meng [Kansas State University, Manhattan, KS ↗

Array-Based Seismic Measurements of OSIRIS-REx’s Re-Entry

The return home of the OSIRIS-REx spacecraft in September 2023 marked only the fifth time that an artificial object entered the Earth’s atmosphere at interplanetary velocities. Although rare, such events serve as valuable analogs for natural meteoroid re-entries; enabling study of hypersonic dynamics, shock wave generation, and acoustic-to-seismic coupling. Here, in this study, we report on the signatures recorded by a dense (100 m scale) 11-station array located almost directly underneath the capsule’s point of peak atmospheric heating in northern Nevada. Seismic data are presented, which allow inferences to be made about the shape of the shock wave’s footprint on the surface, the capsule’s trajectory, and its flight parameters.

58 GEOSCIENCES↗

Uranyl Capture and Activation with Lewis Acids and Macrocyclic Hosts (Final Technical Report)

This document is the final report for the project with the title, “Uranyl Capture with Lewis Acids and Macrocyclic Hosts.” Nuclear power is attractive for meeting the current and future energy needs of society, in that it does not release carbon dioxide or other pollutants into the atmosphere during routine use. This motivated the project, because preparation of nuclear fuel, recovery of useful components from used fuel, and handling of waste materials remain significant impediments to further deployment of important nuclear technologies. In part, these problems arise from limited availability of chemical reactions that can reliably interconvert forms of uranium and other heavy elements during preparation and processing. For example, harsh and expensive chemicals are often required for making and breaking chemical bonds to uranium, and the reactions involved are inefficient. The overall objective of this research was to harness knowledge of chemical structure and bonding to develop a useful and predictive und

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Precision Agriculture using Networks of Degradable Analytical Sensors (PANDAS) (Final Technical Report)

Precision agriculture, where sensing of soil, environment and crop conditions are used to precisely synchronize inputs (such as water and fertilizer) to crop needs enhances input use efficiency. This can improve yields and farm profitability while mitigating environmental losses, improving soil carbon content and substantially decreasing energy use for food, feed and fuel crops. Unfortunately, farmers are not yet able to harness the full potential of these management technologies as there is a lack of available management information, and there is therefore a need for sensors that are able to economically measure spatio-temporal variability in soil and crop properties of extremely heterogeneous farm fields precisely at high resolution and at low cost. Real-time, in-situ monitoring of agricultural soil conditions is today carried out using devices that limit the total number of nodes that can be used economically to typically one per acre or less. Higher spatio-temporal resolution sensing would enable more precise agricultural input optimization, with significant benefits to the farmer and the environment. In order to address this issue, this project focused on developing additively manufactured, biodegradable, soil sensors with predicted costs of < $\$$1 per unit to monitor crop inputs (such as water and fertilizer) that predictably, harmlessly degrade away into the soil when no longer needed. These sensor nodes should be easy to place, accurately and continuously monitor soil and crop conditions for an entire season, be read remotely using existing farm equipment, require no ongoing maintenance, not impede farm operations and produce no persistent waste. This approach could enable a >100× increase in information density over current solutions for precision farming of row and other crops, and lead to significant reductions in input energy use and provide increased yield for biofuel crops. Over the course of this project the team at the University of Colorado Boulder, University of California Berkeley, and Colorado State University/Kansas State University investigated a wide range of printable biodegradable electronic materials and sensor designs for determining soil moisture and soil nitrate concentration. These efforts expanded the available materials set for printed soil degradable electronic materials, particularly for conductors, enabling high conductivity and stability. Printed soil moisture and nitrate sensors with suitable sensitivity and selectivity were developed and characterized. Low power and passive wireless electronic systems were integrated with the soil sensors, and testing was carried out with completed sensors to understand their functionality under agricultural conditions. Additionally, other sensor types enabled by the biodegradable materials set created during this project, such as soil microbial activity sensors, were also developed and demonstrated. Project outputs include 10 peer reviewed publications, 4 patent applications, 21 technical presentations, 3 PhD thesis, 10 media reports, 8 additional grants worth over $\$$6M, and the formation of 3 start-up companies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Energy Improvements of Fire Station 71

Since 2018, the City of Shawnee, Kansas has completed two phases of the State of Kansas Facility Conservation Improvement Program (FCIP), an initiative that guarantees operational cost and energy savings through targeted construction improvements on City facilities and infrastructure. The City is currently in the third phase of this FCIP, where one of the projects included an investment in energy improvements for Fire Station 71 (FS 71). The City partnered with Navitas, an Energy Service Company (ESCO), to implement a Photovoltaic Solar Array on FS71. The purpose of this project was to invest in sustainable building improvements with Energy Conservation Measures (ECM) to bring cost savings to the City and to provide sustainable benefits to the residents of Shawnee. In the first task of the project, Navitas collaborated with the City of Shawnee and the Community Development Department to determine the optimal layout and schedule for the installation of the solar array on FS 71. In the second task of the project, Navitas installed the 99.8 kW DC Photovoltaic solar array system. This system installation comprised of racking, inverters, optimizers, load center, and disconnect, which were all installed at a total ECM price of $\$$247,948. The third task focused on start-up and commissioning of the array. Navitas installed a real-time data analytics information management system integrated with utility meters, which evaluates the operations of the utility system and verifies operation of equipment and ensures optimum operation for energy efficiency. In the final task of this project, this analytics system was used for monitoring and verification, which will continue to be used to evaluate the success of the project for the coming years. The primary goal of the project was to install the 99.8 kW DC PV solar array at FS 71 to demonstrate the viability of solar energy systems in essential municipal facilities. Fire stations are energy demanding structures, as they require a constant intake of power and have a high baseline energy usage. The success of solar arrays on a fire station exemplifies their energy efficiency and effectiveness and displays their potential for application on other city facilities. By installing a solar array at such a facility, the City sought not only to offset electricity usage but also to serve as a model for ECMs in other municipal facilities and infrastructure projects. From an economic standpoint, this project demonstrates the feasibility of renewable energy at the municipal level. The total project cost of $\$$247,948 was split evenly between city funds and award funding, minimizing financial risk while ensuring guaranteed long-term savings. Any excess savings that are beyond the guaranteed minimums remain with the city, which enables future investment in sustainable energy initiatives. This project provides many benefits to the public. In addition to reducing the environmental footprint of city operations, it lowers taxpayer-funded utility spending and improves the energy security of a critical facility. The knowledge gained from this implementation motivates the City to focus on similar efforts across other public facilities in future FCIP phases and other City projects.

14 SOLAR ENERGY↗

Robust Dark Energy Constraints with the Dark Energy Spectroscopic Survey (Final Technical Report)

This project developed and applied advanced theoretical, computational, and data-analysis methodologies to extract robust and precise cosmological constraints from the Dark Energy Spectroscopic Instrument (DESI). The work focused on maximizing the scientific return of DESI through optimized survey strategy, novel higher-order clustering statistics, improved modeling of small-scale structure, and rigorous mitigation of observational systematics. Over the award period, the project made substantial contributions to DESI science planning, produced new methods for bispectrum and three-point correlation function analyses, advanced constraints on primordial non-Gaussianity, and delivered widely used software tools. The project also played a major role in training graduate students and a postdoctoral researcher who contributed directly to DESI key projects. The results have significantly enhanced the cosmological reach of DESI and provide a strong foundation for future surveys such as DESI-II and Stage-V experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

Sumner County Field Validation: An Assessment of Thermal Energy Storage in Municipal Buildings in Mixed-Humid Climates

The overall aim of the project was to conduct a full-scale implementation of TES in an operational administrative building in Sumner County, Kansas with a special focus of phase change material (PCM) passive implementation in the ceiling envelope. PCM was used with the intention of increasing the ability of public buildings to shift the peak HVAC energy demand and consumption. The study was conducted during the span of three years in 3 phases, (i) phase I: energy audit (pre-retrofit) (ii) phase II: ceiling tile installation (PCM retrofit), and (iii) phase III: energy evaluation (post-retrofit). Temperature and HVAC energy measurements as well as weather data collected is used for an extensive validation study and further parametric assessment to find (a) annual HVAC energy savings (b) peak period electricity and load savings focusing on cooling dominant months of the year.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Frequency-Nadir-Constrained Unit Commitment for Low-Inertia, High-IBR Island Power Systems [Slides]

The process of energy decarbonization in island power systems is accelerated due to the swift integration of inverter-based renewable energy resources (IBRs). The unique features of such systems, including rapid frequency changes resulting from potential generation outages or imbalances due to the unpredictability of renewable power, pose a significant challenge in maintaining the frequency nadir without external support. This paper presents a unit commitment (UC) model with data-driven frequency nadir constraints, including either frequency nadir or minimum inertia requirements, helping to limit frequency deviations after significant generator outages. The constraints are formulated using a linear regression model that takes advantage of real-world, year-long generation scheduling and dynamic simulation data. The efficacy of the proposed UC model is verified through a year-long simulation in an actual island power system using historical weather data. The alternative minimum inertia constraint, derived from actual system operation assumptions, is also evaluated. Findings demonstrate that the proposed frequency nadir constraint notably improves the system's frequency nadir under high photovoltaic (PV) penetration levels, albeit with a slight increase in generation costs, when compared to the alternative minimum inertia constraint.

14 SOLAR ENERGY↗

Framework and Tool for Artificial Intelligence & Machine Learning (AI/ML) Enabled Automated Non-Destructive Inspection of Composites Aerostructures Manufacturing

Vehicles and systems in the field of aerospace have two major requirements: a high demand for a large quantity and an expectation to perform for their lifetime with little to no failures. Thus, there is a need for a fast production rate of aerospace products with high quality. Improvements to production rate have many benefits, including a reduction in energy consumption per unit manufactured. This would be from factory energy usage, which is required to build and verify a product. Manufacturing process specifications require inspection of parts to determine if any flaws are present. Depending on factory planning and product quality, especially at higher rates, the evaluation process can pose a production rate bottleneck. This project was comprised of using artificial intelligence and machine learning (AI/ML) methods on inspection evaluations with the objective of reducing the required time to produce an aerospace structure or product and without reducing the final quality.

42 ENGINEERING↗

Reproducibility, Replicability, and Research Quality in Homogeneous Catalysis

Researchers from all sectors of homogeneous catalysis convened in response to concerns regarding reproducibility in science to analyze the issue and provide recommendations. In addition to an in- person workshop, the group engaged the broader homogeneous catalysis community through a webinar series and virtually during the workshop. Results of the project affirm that homogeneous catalysis is not in a reproducibility crisis, as evidenced by the field’s current and past contributions to society that have led to economic growth and advances in a range of industries from agriculture to consumer goods to human health. However, it is not uncommon for researchers to encounter obstacles related to reproducibility. Ensuring reproducibility remains the responsibility of the community, both in current work and in training future researchers. This report is intended to engage key stakeholders, including disciplinary societies, publishers, employers, research leaders, and researchers, in practices that maximize reproducible homogeneous catalysis and ensure continued innovation and translatable discoveries. Recommendations made herein are also framed to be applicable beyond homogeneous catalysis, empowering the broader chemical if not scientific community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Editorial: Structure and mechanism of microbial membrane active transporters

Membrane active transporters play essential roles in microbial physiology. They couple energy transduction to conformational changes that drive translocation of nutrients, substrates and ions, as well as molecular communication. The structure and function of microbial membrane active transporters are highly diverse. Typical examples include the primary active transporters in the ATP-binding cassette (ABC) superfamily (Thomas and Tampé, 2020; Davidson et al., 2008; Locher et al., 2002), the secondary active transporters in the Major Facilitator Superfamily (MFS) (Drew et al., 2021; Kaback and Guan, 2019), and the ligand-gated porins in the TonB-dependent transporter (TBDT) family (Klebba et al., 2021). As structural, proteogenomic, and computational methods advance, active transporters are increasingly recognized as dynamic molecular machines whose mechanisms can now be visualized and modeled with remarkable precision, building on decades of biochemical and biophysical discovery that established the foundations of this field. The transporter studies recruited in this Research Topic provide us with new insights into the field including structure-function of sugar transporters in yeast, structural prediction and classification of ABC complexes in Bacillus subtilis, Type VI Secretion System (T6SS) in Bacteroides fragilis, amino acids uptake in Escherichia coli and bacterial spore germination.

mechanism↗

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

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

47 OTHER INSTRUMENTATION↗

A Region-Growing Segmentation Approach to Delineating Timberline from Satellite-Derived Tree Fractional Cover Products

Timberline marks the transitions from continuous forests to sparse forests and tundra landscapes. As the spatial distribution and dynamics of timberline are closely associated with regional energy and carbon balance, mapping timberline is important to a wide range of environmental and ecological studies. However, current timberline delineation approaches remain under-developed. We proposed an automatic timberline delineation method based on a seeded region-growing segmentation technique and satellite-derived products of tree fractional cover. We applied our approach to the West Siberian Plain and Alaska treeline regions as defined by the Circumpolar Arctic Vegetation Map. The results demonstrate the effectiveness of the proposed method for the accurate delineation of the timberlines that spatially align well with very-high-resolution satellite images. Based on the delineated timberlines, we find regional-scale tree encroachment to be not as substantial as previously reported. The proposed approach can be applied to understanding climate-induced forest responses and inform forest management practices.

Circumpolar Arctic Vegetation Map↗