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498 records · Page 22

Sustainable Triacetic Acid Lactone Production from Sugarcane by Fermentation and Crystallization

Triacetic acid lactone (TAL) has the potential to serve as a bioderived platform chemical for commercial products including sorbic acid and recyclable polydiketoenamine plastics. In this study, we leveraged BioSTEAM to design, simulate, and evaluate (via techno-economic analysis, TEA, and life cycle assessment, LCA) TAL production from sugarcane. We experimentally characterized TAL solubility, calibrated solubility models, and designed a process to separate TAL from fermentation broths by crystallization. The biorefinery could produce TAL at a minimum product selling price (MPSP) of $\$3.73$–5.86·kg –1 (5th–95th percentiles; baseline at $\$4.60$·kg –1 ) and a carbon intensity (CI) of 5.31 [2.60–8.71] kg CO 2 -eq·kg –1 , which could enable financially viable, low-CI production of sorbic acid and polydiketoenamines. To drive down costs and CI, we explored the theoretical fermentation space (titer, yield, productivity combinations), operation scheduling and capacity expansion strategies (e.g., integrated sorghum processing), and potential separation improvements (mitigating TAL loss through pH control). Advancements in key design and technological parameters could further reduce MPSP by 51% to $\$2.26$·kg –1 [$\$1.97$–2.80·kg –1 ] and CI by 43% to 3.05 [1.91–4.15] kg CO 2 -eq·kg –1 . This research highlights the ability of agile TEA-LCA to screen promising designs, navigate sustainability trade-offs, prioritize research needs, and chart quantitative roadmaps to advance bioproducts and biofuels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

3D Printing of Polyelectrolyte Complex-Integrated Photocurable Hydrogel Resins

In this study, we developed a photocurable hydrogel resin incorporating a polyelectrolyte complex (PEC) for 3D printing. Acrylamide-based monomers were formulated with varying PEC contents (0–15 wt %) in an aqueous KBr medium to fabricate patterned porous hydrogel structures. The morphology of printed hydrogels was characterized by field-emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. Notably, the PEC5 and PEC10 formulations exhibited optimal thermal stability and compressive properties, attributed to the homogeneous distribution of PEC domains within the hydrogel matrix. Furthermore, dye adsorption experiments demonstrated excellent removal efficiency, highlighting the potential of PEC-containing hydrogels for environmental remediation applications, particularly in the treatment of dye-contaminated wastewater.

Yang, Jinchul [University of Tennesse Knoxville]

Postanaerobic Digestion Manure Fibers as a Renewable Source of Lignin-Derived Aromatic Compounds for Microbial Upgrading

Abstract Postanaerobic digestion manure fibers are an abundant solid residue that remains underutilized. The substantial lignocellulosic content of digested manure opens the possibility of using it as a renewable resource for producing valuable products. In this study, we performed compositional and nuclear magnetic resonance analyses to determine lignin content and aromatic composition of these fibers. Additionally, alkaline-based treatment and reductive catalytic fractionation were evaluated as two different processes to produce aromatic-rich streams. The liquor from the alkaline treatment was subsequently utilized for microbial upgrading to produce 2-pyrone-4,6-dicarboxylic acid (PDC). The results showed that lignin in manure fibers represents 30% of the biomass (dry weight basis), with a ∼26% abundance of β-ether-linked aromatics and ∼13% p-coumarate moieties, indicating that the amount of lignin in the postanaerobic biomass is comparable to a moderately pretreated plant biomass. The alkaline treatment released 5.6 g aromatics/kg fibers, while reductive catalytic fractionation produced 14.0 g aromatics/kg fibers. A bioreactor operated in fed-batch mode produced a yield of ∼1 mol of PDC/mol measured aromatics at a rate of 0.2 g PDC/L·h and a titer of 2.6 g PDC/L. This study demonstrates how postanaerobic digestion manure fibers could be used in a circular bioeconomy by harnessing their lignocellulosic content to extract aromatic compounds and use them for obtaining valuable chemicals via microbial upgrading.

Riascos, Brayan D. [University of Wisconsin-Madiso

PIP-II LLRF Master Oscillator and Precision Reference Line - Station Level Design and Testing

The PIP-II superconducting linac at Fermilab requires a highly stable RF Reference Line to maintain phase syn- chronization throughout the accelerator. Temperature- induced changes in the electrical length of long coaxial cables can introduce phase drift and measurement errors. The reference-line architecture mitigates these effects by phase averaging the forward and reflected RF signals, while a phase-locked loop anchors the system to the mas- ter oscillator. This work focuses on the characterization, validation, and mechanical integration of station-level RF assemblies using CAD modeling, vector network analyzer measurements, and spectrum analyzer testing. PID-controlled thermal plates will stabilize critical RF components and further reduce temperature-dependent phase and amplitude variations. These methods sup- port repeatable, standardized designs that can be reliably integrated across the different reference-line stations.

Mosher, Alexander [U. Illinois, Chicago]

Neutron detector response modeling in NOvA

Neutrons can present a significant challenge for neutrino experiments in which energy reconstruction is critical. With the ability to escape detection completely and with a weak correlation between their kinetic energy and any eventual energy deposition, it is difficult to fully account for neutrons produced in neutrino interactions. This in turn leads to significant model dependence when evaluating neutron-related systematic uncertainties. The NOvA experiment is a long-baseline neutrino oscillation experiment with a high-statistics sample of antineutrino data collected by its near detector. We report an excess relative to data of simulated neutron candidates with low energy depositions when using standard Geant4 physics lists. The simulation excess is traced to an overabundance of secondary photons produced from interactions of neutrons with kinetic energy greater than \SI{20}{\mega\eV}. Improved agreement with data is obtained by applying the data-driven neutron-on-carbon \menate model for neutrons between \SI{20}{\mega\eV} and ${\sim}$\SI{100}{\mega\eV}. With \menate, the residual oversimulation is more uniform across the calorimetric neutron energy spectrum, suggesting possible overproduction of primary neutrons by the GENIE neutrino interaction generator. These results motivate the adoption of \menate-supplemented Geant4 simulation as the nominal simulation in the production of future \nova simulation.

Abubakar, S.

Demonstration of gold nanorod systems for enhanced total efficiency: Experimental and numerical analysis

This study investigates the photothermal performance of gold nanorods engineered to exhibit longitudinal plasmon resonances at 695 nm, 780 nm, and 970 nm. The work combines synthesis, structural characterization, extinction measurements, numerical modeling, and controlled temperature experiments to quantify how nanorod geometry, resonance tuning, concentration, and chamber shape jointly influence heat generation. Transmission electron microscopy confirms that increasing nanorod aspect ratio systematically shifts the longitudinal plasmon peak toward the near-infrared region. Extinction measurements show strong agreement with theoretical predictions, validating the numerical model across two independent datasets. Three chamber geometries were tested under laser excitation at 640 nm, 808 nm, and 980 nm: an ascending stepped base, a flat base, and a descending stepped base. Without nanorods, the ascending geometry produced the highest efficiency due to enhanced natural convection. After introducing gold nanorods, all geometries exhibited substantial thermal enhancement, with total efficiencies exceeding 20%. The strongest improvement was obtained for nanorods resonant at 780 nm with a mass concentration of 4.6 mg/mL implemented on the descending stepped-base geometry. This performance resulted from the combined effect of spectral overlapping with the 808 nm laser, the highest nanorod concentration, and localized heat accumulation that intensified buoyancy-driven flow. The findings demonstrate that total efficiency is governed by a synergistic interplay between optical resonance, nanoparticle concentration, and macroscopic chamber design, revealing the system-level coupling between nanoscale plasmonic absorption and macroscale heat-transfer phenomena. The results provide a validated framework for tuning nanoscale plasmonic absorbers and optimizing thermal systems for applications requiring efficient light-to-heat conversion.

77 NANOSCIENCE AND NANOTECHNOLOGY

Data-Driven Discovery and Experimental Validation of Solvent Polarity Effects on Conjugated Polymer Solution-to-Film Assembly Pathways

Understanding how solvent properties influence the solution-to-film assembly of conjugated polymers remains a critical challenge due to the complex and intertwined nature of polymer–solvent interactions. In this study, we integrate a data-driven framework with experimental validation to identify key parameters influencing the assembly and performance of poly[2,5-(2-octyldodecyl)-3,6-diketopyrrolopyrrole-alt-5,5-(2,5-di(thien-2-yl)thieno[3,2-b]thiophene)] (DPP-DTT) in organic field-effect transistors (OFETs). A machine learning (ML) approach identified the normalized Reichardt polarity parameter (E T N ) as a significant descriptor correlated with DPP-DTT hole mobility (μ). Systematic DPP-DTT devices fabricated using solvents across a wide E T N range revealed that higher E T N solvents yield enhanced μ. To elucidate the structural origins of high μ, we conducted comprehensive analyses using UV–vis–NIR spectroscopy and grazing incidence wide angle X-ray scattering (GIWAXS) measurements. The results revealed that films processed from high E T N solvents exhibit reduced paracrystallinity. By analyzing the solution-state behavior using optical microscopy and solution WAXS, we revealed polymer solubility differences in the various solvents and associated distinct polymer assembly pathways, elucidating why the high E T N solvent produces long-range ordered films. Notably, the high E T N solvent shows a pronounced preference for liquid-crystal (LC)-mediated assembly, providing a mechanistic explanation for the enhanced structural order. Therefore, these results demonstrate that solvent polarity, as evaluated by E T N , serves as an important parameter that plays a significant role in the DPP-DTT assembly pathway and resultant solid-state morphology. This work provides a strategy for integrating data science with experiments to identify critical parameters associated with complex polymer systems and helps guide rational process design for high-performance organic electronics.

36 MATERIALS SCIENCE

Assembly and Testing of Scintillator Tile Modules for the CMS High-Granularity Calorimeter Upgrade

The High-Granularity Calorimeter (HGCAL), part of the upgrade to the Compact Muon Solenoid (CMS) experiment, employs silicon and scintillator tile modules in the endcaps to maintain detector performance during the High-Luminosity Large Hadron Collider (HL-LHC) era, scheduled to operate from 2030 to 2040. The upgraded calorimeter will provide highly segmented three-dimensional imaging, energy measurements, and precise timing for particle shower reconstruction. Approximately half of the HGCal plastic scintillator tile modules (1,834 total) will be assembled at Fermilab using an automated pick-and-place (PnP) machine. Following assembly, each tile module undergoes quality control (QC) procedures such as electrical validation, thermal testing, and physics validation using cosmic rays. This poster/talk presents the QC procedures and results from the tile module production in 2026, demonstrating the performance and quality of the assembled tile modules.

Bazimya, Jean Luc [Grambling State U.]

Influence of microstructure and temperature on impact toughness of H13 steel produced by binder jet additive manufacturing

Binder Jet Additive Manufacturing (BJAM) is a promising manufacturing pathway to produce H13 steel dies and tooling with complex geometries for applications in high pressure aluminum die casting, hot stamping, and injection molding. While fully dense H13 coupons produced using BJAM have been subjected to detailed microstructure characterization, properties which are critical and relevant to the aforementioned applications, such as impact toughness, have not been reported. Here, this work evaluated the influence of microstructural characteristics and test temperature on the impact toughness of H13 produced by BJAM. Coupons were produced from three different powder size distributions (PSDs), with nominal powder size ranges of −22 μm, 10-32 μm, and 15-53 μm. Coupons were printed, sintered, hot isostatically pressed (HIPed), and heat treated by quenching and tempering. After HIPing, the measured porosities of the different PSDs were all less than 0.015 vol%. The −22 μm PSD BJAM material exhibited the best impact toughness of all three PSDs across the entire test temperature range from 25 to 400 °C, and also exhibited an ambient temperature impact toughness of 10.9 J at a hardness of 46 HRC, equivalent to minimum threshold requirements for premium grade H13. However, all three BJAM PSDs exhibited moderately lower impact toughness than premium grade wrought H13 from RT to 400 °C. We attribute this in part due to the very large prior-austenite grain (PAG) sizes near 400 μm and segregation from former liquid channels leading to greater amounts of carbide precipitation on PAG boundaries. Technical pathways for optimizing processing and chemistry of BJAM H13 to further improve impact toughness are discussed.

Binder jet additive manufacturing

Heterotrophic respiration by soil microbes in a changing climate

Soil microbes strongly influence the soil organic carbon (SOC) pool, which globally stores ~2,000 PgC. Specifically, the balance between microbial heterotrophic respiration (R H ), which degrades SOC, and plant–microbe interactions that stabilize SOC determines whether terrestrial ecosystems are a net source or sink of CO 2 to the atmosphere. Here, in this Review, we evaluate how climate change alters these competing processes. R H is approximately half of total soil respiration, at ~50 PgC yr −1 , with 70% occurring in topsoils. Warming accelerates microbial metabolism, with a 10 °C temperature increase estimated to raise R H by ~50%, an effect that is particularly strong in Arctic soils. Warming also reduces soil moisture, further modulating R H , which responds nonlinearly to soil moisture, being limited by saturation and desiccation and meeting a maximum at intermediate levels. Consequently, R H is highly sensitive to future precipitation changes and drought. However, soil management strategies could enhance SOC stocks and persistence under climate change. Bacterial and fungal inoculants can promote SOC production and stabilization, while deep-rooting plants increase SOC inputs to deeper layers that experience lower R H . Agricultural practices and biochar amendments can also enhance SOC and reduce R H . Expanding field trials across regions, climates and soil types would improve empirical understanding of these responses and support better representation of R H in predictive models, enabling more accurate assessments of climate impacts on SOC storage.

Jansson, Janet K. [Pacific Northwest National Labo

Testing and Validation of Wireless Communication Architecture for Heliostat Fields: SIPS Final Report

This work focuses on the development and testing of a low-cost wireless communication system for heliostat fields, enabling significant capital costs reductions for concentrating solar thermal systems. Outputs of this work include a working demonstration of a multi-node communication system, clear reporting of system performance, and technical documentation of system development and architecture for reproducibility. Through this process, an open-source repository was created for manufacturing hardware at ~$30/heliostat. The system includes software for cybersecurity, achieving sub-second communication latencies and derisking of hardware for eventual scale-up to tens of thousands of heliostats. While the system is not currently off-the-shelf ready, there is now a clearly defined pathway for scaling up and completing the commercial development process.

14 SOLAR ENERGY

Additively manufactured refractory high-entropy alloys with superior radiation resistance

Refractory high-entropy alloys (RHEAs) are promising candidates for next-generation nuclear and high-temperature applications. Among many approaches to manufacture RHEAs, additive manufacturing (AM) represents the most recent and advanced metal manufacturing method which allows near-net-shape manufacturing to reduce material waste and post-processing time. However, performance of AM RHEAs under complex irradiation conditions remains largely unexplored. Here, in this study, we demonstrate for the first time the response of directed energy deposition (DED) AM quaternary RHEAs (HfTaVW, CrTaVW) subjected to sequential dual-beam ion irradiation, consisting of helium pre-implantation followed by high-dose heavy ion bombardment. Compositions of DED AM RHEAs were selected using Monte Carlo (MC) simulations based on a cluster expansion (CE) Hamiltonian parameterized by density functional theory (DFT). Post-irradiation microstructural characterization revealed that the AM RHEA maintained remarkable stability, with suppressed helium bubble growth and reduced defect accumulation compared to conventional alloys. Even at high doses (∼100 dpa), the alloy exhibited no void swelling, a low density of dislocation loops, and no evidence of severe degradation. These results highlight the intrinsic ability of AM-derived microstructures and multicomponent chemistry to synergistically mitigate irradiation effects. Our findings establish AM RHEAs as a class of materials with superior resistance to radiation damage under conditions relevant to advanced fusion and fission environments and demonstrate the importance of sequential ion beam studies in evaluating their long-term performance.

36 MATERIALS SCIENCE

A fully light-driven approach to separate carbon dioxide from emission streams

Carbon capture from industrial point sources is an essential component of the global effort to mitigate climate risks. However, traditional approaches require significant energy input—often provided, counterproductively, by fossil fuel combustion. Using sunlight directly as the energy source would significantly improve the energy efficiency of carbon capture processes. Herein, we report the first fully visible-light-driven CO 2 separation system, in which carbon capture is achieved via the photoenolization/addition reaction of inexpensive 2-methylbenzophenone with CO 2 , and CO 2 release is realized through an intramolecular photodecarboxylation reaction. Finally, this system operates isothermally, works with natural sunlight, and facilitates CO 2 removal from natural gas flue emissions, providing a blueprint for other non-thermal chemical separations.

Ahmad, Bayu I. Z. [Cornell Univ., Ithaca, NY (Unit

Temperature-dependent spin dynamics in Cr 2 O 3

Cr 2 ⁢O 3 emerges as a prominent candidate material for spintronics and magnetoelectronic applications. However, a comprehensive understanding of its temperature-dependent spin dynamics remains elusive, impeding the engineering of novel spintronics based on this material. Here, we delve into this through a combination of inelastic neutron scattering experiments and atomistic simulations. Our results unveiled the emergence of paramagnons above and below 𝑇 𝑁 . We demonstrated a significant softening of linear magnons upon heating in the antiferromagnetic state. Further analysis revealed that this softening primarily originated from four-magnon interactions, while thermal expansion played a minor role.

antiferromagnetism

Advancing Building Performance: Field Results of Thin-Glass Triple-Pane Window Demonstrations

To meet California and the nation's ambitious energy targets, energy use in the building sector must drop dramatically. Windows continue to be the lowest thermally performing envelope system in the nation's buildings, resulting in poor overall envelope performance and potential impacts to human health and comfort. Current best practice new window performance is typically met by double-pane low-solar-gain glazing. Thin-glass triple-pane windows are a highly promising next step forward in performance and have been deployed in two California multi-family sites to quantify field performance and building energy savings. The technology assessed offers the performance benefits of traditional triple-pane but with little increase in weight or cost, enabling incremental costs competitive with alternative energy reduction solutions for the building envelope. This paper covers a detailed investigation into the demonstration project and measured performance benefits of the windows after a full year of data collection.

Hart, Robert

AI-Batt (Autonomous Identification of Battery Life Models) [SWR 21-36]

Autonomous Identification of Battery Life Models (AI-Batt) AI-Batt is a MATLAB code base for developing lifetime models for batteries from accelerated aging data. The code base provides many functions for processing, visualizing, and modeling battery aging data, making the data processing, exploration, and modeling workflow substantially faster. These tools are tailored for working with battery aging data sets, which usually consist of many separate time-series for each cell, with many test conditions and possible replicates at each condition, which makes it difficult to simply process or visualize the data set. Complex modeling tasks, such as cross-validation, sensitivity analysis, and uncertainty quantification have been implemented to enable thorough statistical investigation of model predictions. Additionally, several machine-learning algorithms are implemented to autonomously identify suitable models via symbolic regression. Data processing functions automatically cast data from the struct data type, which is commonly used to store experimental data, but is not an acceptable input for most algorithms, to the table data type, which can be easily used as input to any optimization algorithm. Also, the data can be separated into time-invariant and time-variant data tables, which is helpful for exploring the data set as well as developing separate models for time-variant and time-invariant aging mechanisms. For example, in aging tests with constant temperature, temperature is a time-invariant experimental condition. Visualization tools enable plotting of data, model fits, and model simulations possible with single-line function calls, empowering data exploration of complex data sets with both time-varying and time-invariant trends. Plots can be automatically generated for the whole data set, or separated by data group (groups of test replicates) or individual data series. Data points or data series can be automatically colored by the value of a variable with a variety of color maps, and model predictions can also be colored by the value of a fit statistic. Comparisons between data sets and the predictions/simulations of different models on the same data set can be easily plotted as well. Distributions of parameter values from bootstrap resampling can be plotted to visualize the reliability of parameter estimation, or determine any correlations between parameters. Modeling tools handle the complex task of creating and parsing symbolic equations for modeling battery lifetime. Equations are parsed to grab relevant data variables, parameter values, or specified sub-models for input into optimization, evaluation, or simulation functions. Models can be optimized locally (one set of parameters for each data series), bi-level (some parameters shared across the data set), or globally (single set of parameters for all data). Functions implementing symbolic regression algorithms help users to discover effective model equations, even in poorly sampled, high-dimensional data.

Smith, Kandler [National Renewable Energy Lab. (NR

The glass-ceiling convective regime and the origin and diversity of coronae on Venus

Venus and Earth are rocky planets of roughly the same size and bulk density, yet their surface volcanic and tectonic features appear substantially different. On Venus, the coexistence of large volcanic highlands—interpreted as the surface expression of long-lived mantle plumes—alongside coronae, smaller features thought to be caused by transient thermal diapirs, remains enigmatic. Using two-dimensional numerical models of mantle convection with sharp and broad mineral phase transitions for pyrolite, we show that both scales of upwellings can be generated in a stagnant lid planet with an interior temperature 250 to 400 K warmer than Earth’s. The smaller plumes originate from a ~600 km deep internal layer that exists as a consequence of the different sequence of mineral phase transitions that occur in warmer mantles less processed and differentiated by partial melting and volcanism. Future models that include melting will provide further tests of our hypothesis.

Science & Technology - Other Topics

Multiple shape coexistence near {sup 118}Sn: First 0+ 3 lifetime measurement

The intruder bands in Sn isotopes, built on the 2p-2h excitation across the Z = 50 proton shell gap, are well-known examples of shape coexistence near the neutron mid-shell region. Spectroscopic signatures for shape coexistence include enhanced E0 transitions between the 0+ band heads. However, the underlying shape coexistence and mixing has been unclear because lifetime information for the excited 0+ states was incomplete in 118Sn. We thus present here the first measurement of the 0+ 3 lifetime in 118Sn using the fast-timing technique following thermal-neutron capture. The observed enhancement in ρ2(E0;0+ 3 → 0+ 2 ) of 150(30) milliunits provides compelling indications for multiple shape coexistence in 118Sn. Additionally, three distinct shapes in 116,118,120Sn naturally emerged in theoretical calculations based on the quantum-number-projected generator coordinate method employing a relativistic energy density functional.

Wu, F.