In-Situ Femtosecond Micromachining in Laser Powder Bed Fusion Processes
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Reyes, Gonzalo↗
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Laser Induced Breakdown Spectroscopy for Material Identification in Laser Powder Bed Fusion Processing
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Krantz, Justin↗
Measurements of differential charged-current cross sections on argon for electron neutrinos with final-state protons in MicroBooNE
This work presents single-differential electron-neutrino charged-current cross sections on argon measured using the MicroBooNE detector at the Fermi National Accelerator Laboratory. The analysis uses data recorded when the Neutrinos at the Main Injector beam was operating in both neutrino and antineutrino modes, with exposures of $2 \times 10^{20}$ and $5 \times 10^{20}$ protons on target, respectively. A selection algorithm targeting electron-neutrino charged-current interactions with at least one proton, one electron, and no pions in the final topology is used to measure differential cross sections as a function of outgoing electron energy, total visible energy, and opening angle between the electron and the most energetic proton. The interaction rate as a function of proton multiplicity is also reported. The total cross section is measured as [4.1 $\pm$ 0.4 (stat.) $\pm$ 1.2 (syst.)]$ $$\times 10^{-39} \mathrm{cm}^{2}/ \mathrm{nucleon}$. The unfolded cross-section measurements are compared to predictions from neutrino event generators commonly employed in the field. Good agreement is seen across all variables within uncertainties.
Abratenko, P. [Tufts U. (main)]↗
Challenges and Perspectives in Lignin‐Derived Polyurethane Foam Synthesis
Abstract Polyurethane foams (PUFs) represent a significant segment of the polyurethane (PU) and cellular plastics industries, owing to their versatile applications and desirable properties. However, the production of PUFs heavily relies on petroleum‐derived chemicals, including polyols and isocyanates, raising critical environmental concerns. Lignin, an abundant aromatic macromolecule, offers a promising alternative for replacing petroleum‐based polyols because of its intrinsic hydroxyl groups. While efforts have been made to produce and apply various lignin‐based polyurethane foams (LPUFs), their commercialization remains limited by challenges such as low product consistency, poor technical performances, and high production costs. This study critically evaluates recent advances in the development of LPUFs, including innovative synthesis methods, functional applications, and emerging research trends. Moreover, potential strategies are discussed, such as lignin fractionation, modification, and co‐solvent assistance, for addressing the challenges. By resolving them, LPUFs could play a pivotal role in transitioning the PU industry to help achieve a circular bioeconomy.
Zhang, Mairui [Carl and Melinda Helwig Department ↗
Extrusion‐Based Printing of Nanostructured Fatty Acid Gels Incorporated in Hydrogels
Soft materials with unique nanostructures such as lamellar, hexagonal, and cubic morphologies can replicate complex structures that have potential in various fields, including biomedical and industrial applications. However, a key challenge in advancing the broader applications of 3D printing for these nanostructured soft materials is insufficient mechanical properties that hinder their printability and compromise structural stability in the final product. In this study, the suitability of a fatty acid‐based lamellar gel is evaluated for direct extrusion‐based 3D printing. Here, the lamellar gel with varying water content is integrated with a photocurable hydrogel to preserve the shape and stability of the final prints. Complex 2D and 3D design patterns are used to assess extrusion behavior, structural stability, and print precision under varying pressures. Small‐angle X‐ray Scattering (SAXS) measurements reveal the formation of lamellar nanostructures and confirm their retention after photocuring in various gels. Rheological analysis confirms that these gels exhibit key properties suitable for extrusion‐based 3D printing, such as shear‐thinning behavior. Additionally, tensile testing is conducted to evaluate the mechanical properties across cured print samples. This study underscores the potential of nanostructured gels as a robust and versatile platform, facilitating the development of materials engineered for various applications.
36 MATERIALS SCIENCE↗
The UV Photoinduced Ring-Closing Reaction of Cyclopentadiene Probed with Ultrafast Electron Diffraction
Conjugated cyclic organic molecules are common across many fields such as pharmaceuticals, are naturally occurring in biological systems, and are used in synthetic materials. One particular area of interest from a photochemical point of view is the formation of highly strained cyclic organics. We investigate the photoinduced reaction of cyclopentadiene, a five-membered organic ring molecule which can form strained three and four carbon rings after photoexcitation with UV light, with the gas-phase ultrafast electron diffraction instrument at the SLAC MeV-UED facility. Electron diffraction offers a direct probe sensitive to the nuclear geometry during the reaction, allowing for the determination of the distribution of products formed following photoexcitation. We observe the simultaneous formation of the highly strained ring- closed bicyclo[2.1.0]pentene and vibrationally hot cyclopentadiene within the temporal resolution of the experiment, and determine the relative yield of all reaction products. Furthermore, the experimental results are in good agreement with the predictions of trajectory simulations.
Computational Chemistry↗
Removal of Antibiotics from Swine Wastewater Using an Environmentally Friendly Biochar: Performance and Mechanisms
Antibiotics used in the swine industry to treat diseases and improve animal growth are poorly absorbed by swine and have been classified as micropollutants due to their occurrence in surface water, wastewater, and soil. This study investigated the capacity of biochar produced from eastern red cedar to remove target antibiotics that have been extensively used in the swine industry. Biochar was produced by pyrolysis from eastern red cedar at 450 °C. The sorption tests were performed by mixing biochar and a solution (1:10 ratio) containing each antibiotic in 100, 300, 600, and 900 μg L –1 concentrations. The results indicate that red cedar biochar was able to effectively remove up to 99.93% tetracycline, 96.23% oxytetracycline, 98.28% chlortetracycline, 76.4% sulfadiazine, and 78.6% sulfamethazine at the lowest concentrations. The removal efficiencies at higher concentrations declined up to 83.52, 47.23, 64.16, 69.8, and 58.4% for tetracycline, oxytetracycline, chlortetracycline, sulfadiazine, and sulfamethazine, respectively. The biochar exhibited stronger adsorption capacity for chlortetracycline and sulfamethazine compared to the other antibiotics. The likely adsorption mechanisms driving the removal of tetracyclines and sulfonamides are hydrogen-bonding and π–π electron-donor–acceptor, supported by FTIR analyses of the biochar itself. Overall, the results highlighted the potential utilization of eastern red cedar biochar for practical applications, mitigating antibiotic residues from swine wastewater in a cost-effective and environmentally friendly manner due to its relatively low pyrolysis temperature (450 °C) and sustainable repurposing of an invasive tree species.
09 BIOMASS FUELS↗
Ultrafast Relaxation of MLCT Excited States in Manganese Tricarbonyl Complexes: Insights from Polarization-Resolved Femtosecond X-ray Absorption Spectroscopy at the Mn and Br K-Edges
Optical absorption features that are often described as metal-to-ligand charge transfer (MLCT) bands underlie the utility of many metal coordination complexes by harnessing the energy of light to drive otherwise inaccessible chemical reactions. Excitation of these bands triggers rapid electronic dynamics that can be challenging to understand, due to complicated potential energy landscapes and highly correlated electronic and nuclear degrees of freedom in metal-containing compounds. The lowest-energy absorption bands in Mn complexes containing alpha-diimine, carbonyl, and halide ligands are particularly interesting, due to the delocalized nature of charge transfer upon excitation. Here, in this study, we report experimental ultrafast dynamics measurements for the series of compounds Mn(CO) 3 ( R bpy)Br ( R bpy = 4,4′-disubstituted-2,2′-bipyridine; R = H, CF 3 , or NO 2 ) using polarization-resolved, femtosecond X-ray absorption spectroscopy (XAS) at both the Mn and Br K edges. The appearance of a new absorption feature in the Br pre-edge spectrum upon optical excitation reveals the instantaneous formation of an electronic hole that is partially localized on the Br atom and has a lifetime that depends on the electron withdrawing character of the R bpy ligand. For two of the complexes (R = H or CF 3 ), a large expansion of the Mn–Br distance results in a rapid redistribution of the hole and a corresponding decrease in anisotropy of the absorption feature within 50 fs, after which the absorption into the hole disappears on a time scale shorter than 300 fs. We observe a different result for the NO 2 substituted compound, for which the Mn–Br bond contracts and the absorption into the Br-centered hole persists beyond the 2 ps time scale of our measurement. The Mn pre-edge spectrum also reveals structural changes for these three complexes, but the new Mn absorption features become evident only after the nuclei respond to the initial excitation, which allows mixing of Mn 3d and 4p orbitals. The combined use of ultrafast Mn and Br K-edge spectroscopy provides unique insight into the ways in which bipyridine substitution alters the excited-state dynamics, including a very different structural response for the most strongly electron withdrawing substituent.
Otolski, Christopher J. [Univ. of Kansas, Lawrence↗
Ultrafast structural dynamics of UV photoexcited cis , cis -1,3-cyclooctadiene observed with time-resolved electron diffraction
Conjugated diene molecules are highly reactive upon photoexcitation and can relax through multiple reaction channels that depend on the position of the double bonds and the degree of molecular rigidity. Understanding the photoinduced dynamics of these molecules is crucial for establishing general rules governing the relaxation and product formation. Here, in this study, we investigate the femtosecond time-resolved photoinduced excited-state structural dynamics of cis,cis-1,3-cyclooctadiene, a large-flexible cyclic conjugated diene molecule, upon excitation with 200 nm using mega-electron-volt ultrafast electron diffraction and trajectory surface hopping dynamics simulations. We tracked the photoinduced structural changes from the Franck–Condon region through the conical intersection seam to the ground state. Our findings revealed a novel primary reaction coordinate involving ring distortion, where the ring stretches along one axis and compresses along the perpendicular axis. The nuclear wavepacket remains compact along this reaction coordinate until it reaches the conical intersection seam, and it rapidly spreads as it approaches the ground state, where multiple products are formed.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Imaging the photochemistry of cyclobutanone using ultrafast electron diffraction: Experimental results
We investigated the ultrafast structural dynamics of cyclobutanone following photoexcitation at λ = 200 nm using gas-phase megaelectronvolt ultrafast electron diffraction. Our investigation complements the simulation studies of the same process within this special issue. It provides information about both electronic state population and structural dynamics through well-separable inelastic and elastic electron scattering signatures. We observe the depopulation of the photoexcited S 2 state of cyclobutanone with n3s Rydberg character through its inelastic electron scattering signature with a time constant of (0.29 ± 0.2) ps toward the S 1 state. The S 1 state population undergoes ring-opening via a Norrish Type-I reaction, likely while passing through a conical intersection with S 0 . The corresponding structural changes can be tracked by elastic electron scattering signatures. These changes appear with a delay of (0.14 ± 0.05) ps with respect to the initial photoexcitation, which is less than the S 2 depopulation time constant. This behavior provides evidence for the ballistic nature of the ring-opening once the S 1 state is reached. The resulting biradical species react further within (1.2 ± 0.2) ps via two rival fragmentation channels yielding ketene and ethylene, or propene and carbon monoxide. Furthermore, our study showcases the value of both gas-phase ultrafast diffraction studies as an experimental benchmark for nonadiabatic dynamics simulation methods and the limits in the interpretation of such experimental data without comparison with such simulations.
Carbon monoxide↗
Elucidating ion capture and transport mechanisms of Preyssler anions in aqueous solutions using biased MACE-accelerated MD simulations
Equilibrium and biased multi-atomic cluster expansion (MACE) accelerated molecular dynamics (MD) simulations in aqueous solutions are performed to investigate the ion capture and transport mechanisms of the {P 5 W 30 } Preyssler anion (PA) as the smallest representative member of the extended polyoxometalate (POM) family with an internal cavity. The unique interatomic interactions present in the internal cavity vs the exterior of PA are carefully investigated using equilibrium MACE MD simulations for two representative Na(H 2 O)@PA and Na@PA complexes in aqueous solutions. Our careful analyses of radial distribution functions and coordination numbers show that the presence of confined water in Na(H 2 O)@PA has profound modulating effects on the nature of the interactions of the encapsulated ion with the oxygens of the PA cavity. Using well-converged MACE-accelerated multiple walker well-tempered metadynamics simulations with nanosecond timescales, two different associative (ion exchange) and dissociative (ion ejection) ion transport mechanisms were carefully investigated for Na + as one of the most abundant and representative ions present in seawater and saline solutions. By comparing systems with and without confined water, it was found that the presence of only one pre-encapsulated confined water in Na(H 2 O)@PA dramatically changes the free energy landscape of ion transport processes. It was also found that the contraction and dilation of the two windows present in PA directly influence the Na + and H 2 O transport. Furthermore, the results from this work are helpful, as they show a viable path toward tuning the ion exchange and transport phenomena in aqueous solutions of POM molecular clusters and frameworks.
25 ENERGY STORAGE↗
Aging studies on chemical vapor deposition and mechanically exfoliated molybdenum disulfide flakes heated in ambient air
The structural integrity of atomically thin two-dimensional molybdenum disulfide (MoS 2 ) is crucial for high-temperature applications, including nanoelectronics and optoelectronics. This study explores the structural stability and electrical performance, under extended thermal exposure in air, of MoS 2 flakes synthesized via chemical vapor deposition (CVD) and mechanical exfoliation. The MoS 2 flakes, both CVD-grown and mechanically exfoliated, were subjected to heating at 200 °C with a relative humidity of 60(±5)% for a prolonged period and investigated with atomic force microscopy and Raman spectroscopy. This study shows that CVD-grown flakes developed noticeable cracks after prolonged heating, whereas mechanically exfoliated flakes mostly retained their structural integrity. Also, both types of flakes showed a decrease in layer thickness and lateral size over time, with mechanically exfoliated flakes exhibiting a comparatively smaller reduction in substrate coverage area. In addition, MoS 2 -based two-terminal devices were subjected to heating at 150 °C for approximately 1100 h, and their electrical characterization revealed a steady rise in current during constant voltage (5 V) conditions. This study enhances our understanding of MoS 2 stability and provides guidance for improving the reliability of MoS 2 -based devices in high-temperature electronic applications.
2D materials↗
First study of neutrino angle reconstruction using quasielasticlike interactions in MicroBooNE
We investigate the expected precision of the reconstructed neutrino direction using a 𝜈 𝜇 -argon quasielasticlike event topology with one muon and one proton in the final state and the reconstruction capabilities of the MicroBooNE liquid argon time projection chamber. This direction is of importance in the context of DUNE sub-GeV atmospheric oscillation studies. MicroBooNE allows for a data-driven quantification of this resolution by investigating the deviation of the reconstructed muon-proton system orientation with respect to the well-known direction of neutrinos originating from the Booster Neutrino Beam with an exposure of 1.3 ×10 21 protons on target. Using simulation studies, we derive the expected sub-GeV DUNE atmospheric-neutrino reconstructed simulated spectrum by developing a reweighting scheme as a function of the true neutrino energy. We further report flux-integrated single- and double-differential cross section measurements of charged-current 𝜈 𝜇 quasielasticlike scattering on argon as a function of the muon-proton system angle using the full MicroBooNE data sets. We also demonstrate the sensitivity of these results to nuclear effects and final state hadronic reinteraction modeling.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
First Measurement of $𝜈_𝑒$ and $\bar{𝜈}_𝑒$ Charged-Current Single Charged-Pion Production Differential Cross Sections on Argon Using the MicroBooNE Detector
Understanding electron neutrino interactions is crucial for measurements of neutrino oscillations and searches for new physics in neutrino experiments. We present the first measurement of the flux-averaged $𝜈_𝑒$ + $\bar{𝜈}_𝑒$ charged-current single charged-pion production cross section on argon using the MicroBooNE detector and data from the NuMI neutrino beam. The total cross section is measured to be [0.93 ± 0.13(stat) ± 0.27(syst)] × 10 −39 cm 2 /nucleon at a mean $𝜈_𝑒$ + $\bar{𝜈}_𝑒$ energy of 730 MeV. Differential cross sections are also reported in electron energy, electron and pion angles, and electron-pion opening angle.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Search for light sterile neutrinos with two neutrino beams at MicroBooNE
Data release for the MicroBooNE BNB+NuMI 3+1 oscillation analysis. A coarse grid of $\Delta \chi^2$ as a function of $\Delta m^2$, $\sin^2 \theta_{14}$, $\sin^2 \theta_{24}$ is provided as an additional resource. A finer grid is available upon request.
Abratenko, P. [Tufts U.]↗
Demonstration and performance of an online data selection algorithm for liquid argon time projection chambers using MicroBooNE
The MicroBooNE detector is a liquid argon time projection chamber (LArTPC) that produces three-dimensional images of particle interactions using ionization charge collected by anode wire plane arrays and scintillation light collected by a light detection system. In addition to testing long-standing experimental neutrino anomalies and performing measurements of neutrino interactions with argon nuclei using the Fermilab Booster Neutrino Beam, MicroBooNE aims to develop methodologies for rare beyond the Standard Model and off-beam physics searches. Looking ahead to the upcoming Deep Underground Neutrino Experiment (DUNE), with MicroBooNE serving as a valuable testbed, achieving high sensitivity and livetime for off-beam physics while satisfying data processing and storage constraints will require data-driven, intelligent, and online or real-time data selection techniques. These techniques are essential for reducing data rates and preserving rare signals with high accuracy. In this paper, we describe a fast data selection algorithm suitable for online execution to identify electrons from stopping cosmic ray muons in the MicroBooNE detector utilizing ionization charge information, and present its performance. This represents the first demonstration of online data selection in a LArTPC using real data and charge information exclusively and provides an important proof-of-principle for applying such techniques to other LArTPC experiments such as the Short-Baseline Near Detector and DUNE.
Abratenko, P. [Tufts U. (main)]↗
Scintillation light calibrations, systematic uncertainties, and triggering efficiency in the MicroBooNE detector
Scintillation light, produced alongside ionisation charge from particle interactions, plays a critical role in liquid argon time projection chamber (LArTPC) detectors. A detailed understanding of its production and detection mechanisms is essential for robust calibration, systematic uncertainty evaluation, and physics analysis. This article describes the MicroBooNE light simulation, light-based triggering schemes, photomultiplier tube gain calibration, light response stability, and light-based systematic uncertainties over the course of five years of data collection. In addition, we present a measurement of scintillation light triggering efficiency, focusing on the lowest-light regime relevant to rare-event searches and low-energy neutrino interactions. Finally, we discuss two notable observations in MicroBooNE's data, both reported here for the first time: an approximately 50% decline in MicroBooNE's light yield over time, concentrated in the first two years of running; and a higher than expected O(200 kHz) rate of single photoelectron noise. The results presented provide an important benchmark of long-term light detection performance in LArTPC neutrino detectors.
Abratenko, P. [Tufts U.]↗
Probing Nuclear Effects with Transverse Kinematic Imbalance in Muon-neutrino Induced Charged-Current $π^0$ Production on Argon with the MicroBooNE Detector
Neutrino-nucleus cross-section measurements are needed to improve interaction modeling and to enable precision neutrino oscillation measurements in upcoming experiments such as the Deep Underground Neutrino Experiment (DUNE), Hyper-Kamiokande, and the Short-Baseline Neutrino program. Baryon-resonance neutrino interactions constitute a dominant contribution near the peak of the DUNE neutrino energy spectrum. We present the first measurement of muon neutrino charged-current resonance-like interactions on argon using transverse kinematic imbalance variables with the MicroBooNE detector. These observables are highly sensitive to the modeling of final-state interactions. This measurement probes kinematic imbalances using the reconstructed momenta of the muon, leading proton, and neutral pion. A comprehensive characterization of the $π^0$-proton final state is presented; however, none of the models considered are able to simultaneously reproduce all measured observables.
Abratenko, P. [Tufts U. (main)]↗