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At least 307 records · Page 17

First measurement of differential cross sections for muon neutrino charged current interactions on argon with a two-proton final state using the MicroBooNE detector

We present the first measurement of differential cross sections for charged-current muon neutrino interactions on argon with one muon, two protons, and no pions in the final state. These final states are dominated by two-nucleon knockout interactions, which are complicated to model and for which there is currently limited information about the characteristics of these interactions in existing neutrino-nucleus scattering data. Detailed investigations of two-nucleon knockout are vital to support upcoming experiments exploring the nature of the neutrino. Among the different kinematic quantities measured, the opening angle between the two protons, the angle between the total proton momentum and the muon, and the total transverse momentum of the final state system are most sensitive to the underlying physics processes as embodied in various theoretical models.

2-particle 2-hole states↗

Towards low-carbon low-energy concrete alternatives: Life cycle assessment of carbonated cementitious material-based precast panels

Cement is responsible for 22 % of all global CO 2 emissions from industrial processes. Technological innovation for developing and deploying of alternative materials will be required to decarbonize the cement industry. Carbonated cementitious materials (CCMs) are building materials that rely on carbon mineralization for their strength. A process-based cradle-to-gate life cycle assessment (LCA) was conducted to evaluate the global warming potential (GWP), cumulative energy demand, and water consumption of a lab-scale CCM-based precast panel compared to a conventional precast concrete panel. Since the CCM process is currently a lab-scale early-stage process, the CCM panel showed higher environmental impacts compared to the conventional panel. However, scenario analyses include mature production process scenarios. In conclusion, a sensitivity analysis revealed that the GWP of CCM can be lowered to below that of the conventional panel using polymers, fillers, low-carbon electricity sources, and optimized carbonation parameters.

36 MATERIALS SCIENCE↗

Earth-Abundant Manganese Nitride Catalysts for Mild-Condition Ammonia Synthesis

Developing advanced catalytic materials for mild-condition ammonia (NH 3 ) synthesis is essential for improving the energy efficiency of the industrial Haber-Bosch process. Here, in this study, we report a ζ-phase manganese nitride (MnN 0.43 ) catalyst for low-temperature NH 3 synthesis. The as-synthesized MnN 0.43 catalyst is protected by a carbon shell, allowing for the storage and processing of the air-sensitive metal nitride under ambient conditions. After activation in situ, the MnN 0.43 catalyst exhibits high activity for NH 3 synthesis at 250–350 °C, surpassing the conventional noble metal based Ru/MgO catalyst. A combination of kinetic, chemisorption, isotope labeling and computational studies indicate that a nitrogen vacancy-mediated associative mechanism accounts for the catalytic enhancements. Our work highlights the great potential of earth-abundant transition metal nitrides for catalyzing mild-condition NH 3 synthesis.

36 MATERIALS SCIENCE↗

Evidence for Secondary Ice Production in Southern Ocean Maritime Boundary Layer Clouds

Abstract Maritime boundary‐layer clouds over the Southern Ocean (SO) have a large shortwave radiative effect. Yet, climate models have difficulties in representing these clouds and, especially, their phase in this observationally sparse region. This study aims to increase the knowledge of SO cloud phase by presenting in‐situ cloud microphysical observations from the Southern Ocean Clouds, Radiation, Aerosol, Transport Experimental Study (SOCRATES). We investigate the occurrence of ice in summertime marine stratocumulus and cumulus clouds in the temperature range between 6 and −25°C. Our observations show that in ice‐containing clouds, maximum ice number concentrations of up to several hundreds per liter were found. The observed ice crystal concentrations were on average one to two orders of magnitude higher than the simultaneously measured ice nucleating particle (INP) concentrations in the temperature range below −10°C and up to five orders of magnitude higher than estimated INP concentrations in the temperature range above −10°C. These results highlight the importance of secondary ice production (SIP) in SO summertime marine boundary‐layer clouds. Evidence for rime splintering was found in the Hallett‐Mossop (HM) temperature range but the exact SIP mechanism active at lower temperatures remains unclear. Finally, instrument simulators were used to assess simulated co‐located cloud ice concentrations and the role of modeled HM rime‐splintering. We found that CAM6 is deficient in simulating number concentrations across the HM temperature range with little sensitivity to the model HM process, which is inconsistent with the aforementioned observational evidence of highly active SIP processes in SO low‐level clouds.

54 ENVIRONMENTAL SCIENCES↗

Strong parametric dispersive shifts in a statically decoupled two-qubit cavity QED system

Qubits in cavity quantum electrodynamic (QED) architectures are often operated in the dispersive regime, in which the operating frequency of the cavity depends on the energy state of the qubit, and vice versa. The ability to tune these dispersive shifts provides additional options for performing either quantum measurements or logical manipulations. Here we couple two transmon qubits to a lumped-element cavity through a shared superconducting quantum interference device (SQUID). In this work, our design balances the mutual capacitive and inductive circuit components so that both qubits are statically decoupled from the cavity with low flux sensitivity, offering protection from decoherence processes. Parametric driving of the SQUID flux enables independent, dynamical tuning of each qubit’s interaction with the cavity. As a practical demonstration, we perform pulsed parametric dispersive readout of both qubits. The dispersive frequency shifts of the cavity mode follow the theoretically expected magnitude and sign. This parametric approach creates an extensible, tunable cavity QED framework with various future applications, such as entanglement and error correction via multi-qubit parity readout, state and entanglement stabilization, and parametric logical gates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Chemisorbed oxygen or surface oxides steer the selectivity in Pd electrocatalytic propene oxidation observed by operando Pd L-edge X-ray absorption spectroscopy

Controlled electrochemical oxidation of hydrocarbons to desired products is an attractive approach in catalysis. Here we study the electrochemical propene oxidation under operando conditions using Pd L-edge X-ray absorption spectroscopy (XAS) as a sensitive probe to elucidate surface processes occurring during catalysis. Together with ab initio multiple-scattering calculations, our XAS results enable assignment of characteristic changes of the Pd L-edge intensity and energy position in terms of a mechanistic understanding of the selective oxidation of propene. The results, supported by electrochemical density functional theory DFT simulations, show that in the potential range of 0.8–1.0 V vs. the reversible hydrogen electrode (RHE), selective oxidation of propene to acrolein and acrylic acid occurs on the metallic Pd surface. Here, these reactions are proposed to proceed via the Langmuir–Hinshelwood mechanism. In contrast, for the potential range of 1.1–1.3 V vs. RHE, selective oxidation of propene to propylene glycol takes place on a Pd oxide surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advanced Autonomous Welding for Refabrication and Follow-On Testing of Previously Irradiated Nuclear Fuel

The performance of follow-on experiments using irradiated nuclear fuel at any point in its lifecycle is a critical step in understanding phenomena and behavior. Transient experiments with high-burnup fuel can deepen the understanding of fuel fragmentation, relocations, and dispersal under loss-of-coolant accidents. An advanced autonomous welding process to refabricate commercial fuel rods inside a hot cell was created and tested to enable flexible experiment approaches on fuels irradiated in commercial and test reactors. Irradiated light water reactor fuel test pins from experiments performed at the Advanced Test Reactor (ATR) at Idaho National Laboratory were used to demonstrate the refabrication process. The welding process was found to be sensitive to welding parameters but flexible such that multiple passes could be performed on the same location until a hermetic weld was obtained. The refabrication of rodlets and successful welds was also found to be sensitive to the preparation of the irradiated cladding and endcaps. Thorough defueling of the fuel at the weld location and proper sizing of the endcaps and backing material mitigated these issues. The use of strategically located heat sinks in contact with the cladding and endcap materials also increased welding and refabrication success. For this work, the test pins were sectioned to remove the original endcaps and fuel was removed from both ends of each rodlet. The reassembly of the rodlets was then completed in four steps, which included the press fitting of new endcaps, the circumferential welding of rodlet endcaps to the cladding, rodlet pressurization in a pressure chamber, and seal welding the rodlet under pressure. The integrity of the refabricated rodlets was then verified via helium leak checking inside a vacuum chamber. The advanced welding system is capable of refabricating rodlets up to 380 mm in length, and repressurizing them up to 15 500 kPa. The refabricated lengths of the rodlets used in this work ranged from 149 to 165 mm and the refabricated fuel stack heights ranged from 70.4 to 79.8 mm. Here, the rodlets were pressurized with argon to an average pressure of 3617 kPa, and the average leak rate after refabrication was 6.7 • 10 -8 cm 3 • s -1 .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Study of synchronous RF pulsing in dual frequency capacitively coupled plasma

Low-pressure multi-frequency capacitively coupled plasmas (CCPs) are used for numerous etch and deposition applications in the semiconductor industry. Pulsing of the radio-frequency (RF) sources enables control of neutral and charged species in the plasma on a millisecond timescale. The synchronous (i.e. simultaneous, in-phase) pulsing of both power sources in a dual frequency CCP is examined in this article. Due to the low gas pressure, modeling has been done using the electrostatic particle-in-cell/Monte Carlo collision method. Here, the objective of this work is to investigate the sensitivity of the plasma properties to small changes in timing during synchronous pulsing of the two RF sources. It is demonstrated that small deviations in the on and off times of the two RF sources can lead to major changes in the plasma characteristics. This high sensitivity is of concern for process repeatability but can be utilized to enable better control of the dynamics of plasma-surface interaction. In the simulations, the pulsing parameters (on and off times and ramp rates) are varied and the temporal evolution of plasma characteristics such as electron density (n e ), species current at the electrode, and electron temperature are examined. It is demonstrated that if the low-frequency (LF) source is turned off a few μs before (or after) the high-frequency source, n e during the off-state is significantly higher (or lower) due to the frequency coupling effect. Similarly, turning on the LF source with a small delay results in a sharp increase in the plasma density when the RF sources are turned on.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Satellites, core hole excitations, and spin-resolved electronic structure in the spectroscopy of half-metallic CrO 2

Photoelectron satellites—the structures appearing on the low kinetic or high binding-energy side of the “main” or “elastic” photopeak—betray the complex many-body interactions set in motion by the sudden creation of the core hole. In this work, we demonstrate, using the technologically important ferromagnetic half-metal CrO 2 , how such satellites can manifest themselves in other core-level spectroscopies of the material and how they can reveal important details pertinent to its electronic structure. Specifically, we identify a fluorescence satellite in the Cr 𝐿 3 resonant x-ray-emission spectra that radiates at a constant emission energy across the Cr 𝐿 3 x-ray edge with energy ≈1.3 eV above the ordinary valence fluorescence. Here, we provide evidence that this feature arises from the valence recombination of the Cr 2⁢𝑝 core hole “dressed” by the same shakeup charge-transfer process present in both the Cr x-ray photoelectron and the Cr x-ray absorption spectra with its energy uniquely measuring the exchange splitting of the Cr 3⁢𝑑 level. Further analysis of the x-ray emission data reveals three additional features that radiate at constant loss energy that are attributed to combinations of Cr 3⁢𝑑⁢(𝑡 2⁢𝑔 ) → Cr 3⁢𝑑⁢(𝑡 2⁢𝑔 ), charge-transfer O 2⁢𝑝→Cr 3⁢𝑑, and crystal-field Cr⁢ 3⁢𝑑⁡(𝑡 2⁢𝑔 )→Cr⁢ 3⁢𝑑⁡(𝑒 𝑔 ) excitations. These assignments and their energies are supported by density-functional theory calculations, the accuracy of which we demonstrate by hard x-ray valence-photoemission measurements. Atomic multiplet calculations, which include crystal-field effects, help interpret x-ray photoelectron and x-ray absorption spectra of the covalently mixed Cr ion. Resonant Cr K-𝐿 2,3 ⁢𝐿 2,3 Auger-electron emission spectra support a ligand-to-metal nature of the charge-transfer process while highlighting the charge sensitivity differences between photon-in/electron-out and photon-in/photon-out spectroscopies.

36 MATERIALS SCIENCE↗

Anomalous thermal effect in Zr Te 5 observed via photothermal measurements

In this study, we explore the magneto-thermoelectric power (MTP) of $ZrTe$ 5 , a canonical Dirac semimetal, through a novel photothermal technique. Unlike conventional thermoelectric studies that rely on on-chip heaters and are limited by fabrication processes, especially for stress-sensitive materials, our approach utilizes photothermal effects to induce temperature gradients. Our experiments, applying a magnetic field approximately parallel and transverse to the photocurrent detection direction, reveal that the photothermal method efficiently and reliably extracts both diagonal and off-diagonal components of the thermoelectric coefficient of $ZrTe$ 5 . Here, we observe that the longitudinal MTP reproduces features previously reported in thermal transport studies, while the photoinduced transverse MTP confirms the anomalous Nernst effect. This photothermal measurement technique opens new avenues for investigating transport properties in a wide range of quantum materials, both in 3D and 2D systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Experimental Test of the Ratio Method for Nuclear-Reaction Analysis

Nuclear halos are exotic quantal structures observed far from stability. They are mostly studied through reactions. The ratio of angular cross sections for breakup and scattering is predicted to be independent of the reaction process and to be very sensitive to the halo structure. Here, we test this new observable experimentally for the first time on the collision of 11 Be on C at 22.8 MeV/nucleon and using existing data on Pb at 19.1 MeV/nucleon. The theoretical predictions are verified, which offers the possibility of developing a new spectroscopic tool to study nuclear structure far from stability.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Data for A Consolidated Bioprocess Design to Produce Multiple High-Value Platform Chemicals from Lignocellulosic Biomass and Its Technoeconomic Feasibility

5-hydroxymethyl furfural (HMF) and furfurals are DOE-listed platform chemicals that can be derived from the renewable carbon in the lignocellulosic biomasses and have the potential to replace petroleum-derived alternatives. High substrate cost and use of expensive solvents limit the economic feasibility of bio-based HMF production on an industrially relevant scale. The study presents an experimental optimized condition that maximizes the chemical-free production of HMF and furfurals without lowering the yield of total fermentable sugars from Saccharum bagasse. Hydrothermal pretreatment at 210 °C for 15 min yielded approximately 10%, 12%, and 46% of HMF, furfurals, and fermentable sugars per gram of dry biomass, respectively. Additionally, the study proposes a consolidated bioprocess model to produce and recover four high-value bioproducts i.e., HMF, furfurals, ethanol, and acetic acid based on the experimental results and evaluates its technoeconomic feasibility considering HMF as the main product. The minimum selling price (MSP) of HMF was estimated to be 930.6 USD/t which is competitive with its petroleum-derived precursor alternative p-xylene (1,113 USD/t). The sensitivity analysis performed for the process parameters suggests that pretreatment cost and revenues from coproducts immensely influence the MSP of HMF. The preliminary technoeconomic analysis performed on the consolidated bioprocess design indicates that additional revenue streams from diversified coproducts in biorefineries aid in lowering the MSP of high-value bioproducts.

Conversion↗

Rapid estimation of photosynthetic leaf traits of tropical plants in diverse environmental conditions using reflectance spectroscopy

Tropical forests are one of the main carbon sinks on Earth, but the magnitude of CO 2 absorbed by tropical vegetation remains uncertain. Terrestrial biosphere models (TBMs) are commonly used to estimate the CO 2 absorbed by forests, but their performance is highly sensitive to the parameterization of processes that control leaf-level CO 2 exchange. Direct measurements of leaf respiratory and photosynthetic traits that determine vegetation CO 2 fluxes are critical, but traditional approaches are time-consuming. Reflectance spectroscopy can be a viable alternative for the estimation of these traits and, because data collection is markedly quicker than traditional gas exchange, the approach can enable the rapid assembly of large datasets. However, the application of spectroscopy to estimate photosynthetic traits across a wide range of tropical species, leaf ages and light environments has not been extensively studied. Here, we used leaf reflectance spectroscopy together with partial least-squares regression (PLSR) modeling to estimate leaf respiration ( R dark25 ), the maximum rate of carboxylation by the enzyme Rubisco ( V cmax25 ), the maximum rate of electron transport ( J max25 ), and the triose phosphate utilization rate ( T p25 ), all normalized to 25°C. We collected data from three tropical forest sites and included leaves from fifty-three species sampled at different leaf phenological stages and different leaf light environments. Our resulting spectra-trait models validated on randomly sampled data showed good predictive performance for V cmax25 , J max25 , T p25 and R dark25 (RMSE of 13, 20, 1.5 and 0.3 μmol m -2 s -1 , and R 2 of 0.74, 0.73, 0.64 and 0.58, respectively). The models showed similar performance when applied to leaves of species not included in the training dataset, illustrating that the approach is robust for capturing the main axes of trait variation in tropical species. We discuss the utility of the spectra-trait and traditional gas exchange approaches for enhancing tropical plant trait studies and improving the parameterization of TBMs.

54 ENVIRONMENTAL SCIENCES↗

A Study of QCD Radiation in VBF Higgs Production with Vincia and Pythia

We discuss and illustrate the properties of several parton-shower algorithms available in Pythia and Vincia, in the context of Higgs production via vector boson fusion (VBF). In particular, the distinctive colour topology of VBF processes allows to define observables sensitive to the coherent radiation pattern of additional jets. We study a set of such observables, using the Vincia sector-antenna shower as our main reference, and contrast it to Pythia's transverse-momentum-ordered DGLAP shower as well as Pythia's dipole-improved shower. We then investigate the robustness of these predictions as successive levels of higher-order perturbative matrix elements are incorporated, including next-to-leading-order matched and tree-level merged calculations, using Powheg Box and Sherpa respectively to generate the hard events.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Advancing Enhanced Raman Spectroscopy to Detect and Measure NOW Pheromones (CPRB 2022 proposal)

Insect sex pheromones are chemical compounds that insects release to attract their partners over distances of hundreds of meters or even kilometers, in complete darkness and without any audible signals. Use of synthetic forms of key compounds have in some cases become an essential component of monitoring and/or managing key pests of agricultural crops, including navel orangeworm (Amyelois transitella) (NOW) in California tree nuts. These pheromone-based strategies can include monitoring, mating disruption, mass trapping, attract-and-kill and push-pull. There are currently multiple commercially available mating disruption products available for NOW and recent studies have demonstrated that they can be effectively used to reduce crop damage by this pest. Just how mating disruption works is not fully established and likely varies across products and target species. For instance, the extent to which synthetic pheromones compete with natural pheromone is not well understood, or in the case of monitoring, how efficaciously the insect follows the diffusing plumes, especially across large blocks and at plot borders. Furthermore, there may be specific conditions under which poor or impeded diffusion of synthetic pheromone diminishes the disruption effect, which could result in some males effectively locating females for reproduction. At the same time, many commercially available synthetic lures are also available, and growers have been effectively using them to track population development – although the attractive range of these lures remains unclear. That is, while pheromone lures can attract many moths, the relationship between trap capture and local populations, much less crop damage, remains unclear. Regardless of the emission source (aerosol puffers, meso emitters, lures etc.), we currently lack the ability to fully understand how these synthetic pheromone compounds diffuse away from their point-source of emission – and subsequently how this might affect the efficacy of mating disruption and/or the accuracy of monitoring efforts. Raman spectroscopy (RS) may offer a means to detect synthetic pheromone because of its analytical properties and recent technological advancements. In combination with nanostructured probes, RS has a demonstrated capability to detect volatiles at extremely low concentrations. While other methods for detecting pheromones have proven to be successful, such analytical methods like mass spectrometry (MS) gas chromatography (GC) require sampling in the fields and are not real-time. Other methods such as EAG/ EAD are also invasive (use antennas) but are of course valuable. Opto-electronic, micro and nano sensors just recently enticed interest. We fall in this latter category, proposing the use of optical spectroscopy (Raman) in a fiber aided by nanostructures to provide a chemical fingerprint without transductions and in real-time (i.e. no sampling). To date, we have been able to generate Raman signatures for the main chemicals in synthetic pheromones (a first for science, to the best of our knowledge), observe their trends at different concentrations, and also provide a clear distinction of such signatures in mixed samples via Principal Component Analysis (PCA) – all of which strengthens our conclusions on the ability of RS to detect emissions in more realistic conditions. We also established processes to enhance the detection sensitivity via preconcentration with Solid Phase Micro Extraction (SPME) fibers and Surface Enhanced Raman Spectroscopy (SERS) to increase the overall optical signals. Furthermore, we explored limitations and requirements for detecting from dispensers, lures, or live moths, including Dept. of Energy and CA State regulatory approvals. Finally, we setup some of our first “orchard in a box” experiments to measure pheromone diffusion along with developing appropriate models.

42 ENGINEERING↗

Nuclear Matrix Elements for Neutrinoless Double-Beta Decay from Lattice QCD

Neutrinoless double-beta decay (0vbb) is a hypothetical nuclear decay that is only possible if the neutrino is a Majorana fermion. Experimental searches for this process with ever-increasing sensitivity have placed strong constraints on the 0vbb half-lives of relevant isotopes. Relating these experimental half-lives to the underlying particle physics -- the effective Majorana mass of the neutrino -- requires understanding of the nuclear matrix elements for the transition. These matrix elements can be computed within a nuclear effective field theory framework, but input from lattice QCD is necessary to constrain low-energy constants relevant for the decay. This talk will discuss calculations of these matrix elements using lattice QCD and the implications for determination of nuclear EFT parameters.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Engineering-scale Modeling of High-Temperature Creep and Creep Crack Growth in Alloy 316H

This document demonstrates completion of the goals described in the technical narrative of the Department of Energy’s Industry Funding Opportunity Announcement (iFOA) project entitled “Modeling and Simulation Development Pathways to Accelerating KP-FHR Licensing,” which relates to the development and demonstration of capabilities for conducting engineering-scale simulations of Alloy 316H components under high-temperature conditions. This work encompassed two major aspects: integrating and testing constitutive models for the creep response of 316H at high temperatures, and developing tools for modeling creep crack growth (CCG) in 316H. Two classes of constitutive models were used in this effort: phenomenological models based on behavior observed at the engineering scale, and reduced-order models (ROMs) that represent the nonlinear response of mesoscale models that capture the sensitivity to material microstructure and processing. Likewise, the approaches employed for CCG modeling considered both simplified engineering approaches and detailed simulations of creep and damage ahead of the crack tip. These developments, which were performed by utilizing the Grizzly code as well as the open-source libraries it depends on, strengthen Grizzly’s ability to support licensing and safety analyses of high-temperature reactor components.

316H↗

Experimental test of the ratio method for nuclear-reaction analysis

Nuclear halos are exotic quantal structures observed far from stability. They are mostly studied through reactions. The ratio of angular cross sections for breakup and scattering is predicted to be independent of the reaction process and to be very sensitive to the halo structure. We test this new observable experimentally for the first time on the collision of 11 Be on C at 22.8 MeV/nucleon and using existing data on Pb at 19.1 MeV/nucleon. The theoretical predictions are verified, which offers the possibility to develop a new spectroscopic tool to study nuclear structure far from stability.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗