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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Tandem electrocatalytic N2 fixation via proton-coupled electron transfer
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Detailed-balance limits for sunlight-to-protonic energy conversion from aqueous photoacids and photobases based on reversible mass-action kinetics
(Photo)chemical and photophysical detailed balance analyses are used to predict optimal properties and efficiency limits for sunlight-to-protonic energy conversion from aqueous photoacids or photobases.
Neutronics Analysis in Preparation of the Blue Room Experiment
The goal of the Blue Room experiment is to investigate the ‘thermal shock’ stress in a tungsten target provoked by proton pulse impact. Short, strong pulses of highly energetic protons cause a rapid energy deposition in tungsten, which leads to a sudden temperature rise. This thermal shock causes a stress response and leads to fatigue, which can limit the lifetime of the target. In the Blue Room experiment, tungsten blocks will be irradiated by pulses of 800 MeV protons with several intensities to gain understanding in the strain response of the tungsten block.
Booster Neutrino Beam operations and neutrino flux prediction
The Booster Neutrino Beam (BNB) Line is used to produce neutrino beams for the 8 GeV Neutrino Program at Fermilab. This talk will provide a summary of the BNB operations and an estimate of the neutrino flux that is produced by the beamline. The talk will also summarize the work to upgrade the system which records the longitudinal structure of the primary proton beam that is delivered to BNB production target.
Double Hydroxide Nanocatalysts for Urea Electrooxidation Engineered toward Environmentally Benign Products
Abstract Recent advancements in the electrochemical urea oxidation reaction (UOR) present promising avenues for wastewater remediation and energy recovery. Despite progress toward optimized efficiency, hurdles persist in steering oxidation products away from environmentally unfriendly products, mostly due to a lack of understanding of structure‐selectivity relationships. In this study, the UOR performance of Ni and Cu double hydroxides, which show marked differences in their reactivity and selectivity is evaluated. CuCo hydroxides predominantly produce N 2 , reaching a current density of 20 mA cm geo −2 at 1.04 V – 250 mV less than NiCo hydroxides that generate nitrogen oxides. A collection of in‐situ spectroscopies and scattering experiments reveal a unique in situ generated Cu (2‐x)+ ‐OO −• active sites in CuCo, which initiates nucleophilic substitution of NH 2 from the amide, leading to N‐N coupling between * NH on Co and Cu. In contrast, the formation of nitrogen oxides on NiCo is primarily attributed to the presence of high‐valence Ni 3+ and Ni 4+ , which facilitates N‐H activation. This process, in conjunction with the excessive accumulation of OH − ions on Jahn‐Teller (JT) distorted Co sites, leads to the generation of NO 2 − as the primary product. This work underscores the importance of catalyst composition and structural engineering in tailoring innocuous UOR products.
Measurement of EJ-228 plastic scintillator proton light output using a coincident neutron scatter technique
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Durable Ion-Pair High-Temperature Proton Exchange Membrane Fuel Cells with a Low Platinum Loading Intermetallic Catalyst
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Towards An Updated Simulation of the Booster Neutrino Beam
Precise, accurate neutrino flux predictions for neutrino beam experiments are crucial for physics results. Flux predictions for the Booster Neutrino Beam at Fermilab were first published in 2009 by the MiniBooNE collaboration. It is no longer possible to run the simulation used to create these predictions due to outdated software versions. In this exciting period for the Short-Baseline Neutrino Program at Fermilab, with both the far detector (ICARUS) and the near detector (SBND) operating, an updated flux model for the BNB is necessary. For the purpose of using a dynamic, up-to-date beam model, the SBN program has created a new simulation named G4BNB. This framework contains new features, such as a full neutrino ancestry to handle hadron production systematics with more precision, and the inclusion of neutral mesons from the proton-beryllium scatter to allow the study of exotic BSM scenarios.
White Paper On Nuclear Structure Reactions and Astrophysics
In preparation for the 2023 NSAC Long Range Plan (LRP), the DNP Town Meeting on Nuclear Structure, Reactions, and Astrophysics was held at Argonne National Laboratory (ANL) on Nov 14-16, 2022. The town meeting brought together 578 members of the low-energy nuclear science community, including 216 in-person attendees and 362 remote participants coming from US national laboratories, a wide range of US universities and other research institutions and universities abroad. Participants met in five topic-oriented and seven cross-cutting and intersecting working groups to discuss progress since the 2015 LRP and identify compelling science opportunities and the resources needed to realize them. These considerations were used during the Town Meeting to determine a set of resolutions outlining the highest priorities for our subfield. The full text of the resolutions endorsed by unanimous consent by the low-energy nuclear science community at the Town Meeting is presented at the end of this executive summary. The reports from all working groups that met during the Town Meeting are included as Secs. 1 to 11 of this Whitepaper. The intellectual challenges for nuclear structure, reactions and astrophysics can be captured in the following questions: What is the nature of the nuclear force that binds protons and neutrons into stable nuclei and rare isotopes, and how do the rich phenomena of nuclear structure and reactions emerge? How do single-nucleon, cluster, and collective degrees of freedom coexist and evolve with increasing proton-neutron imbalance and excitation energies? What are the limits of nuclear existence, and what features arise near and beyond these limits? What are the astrophysical origins of the elements and how did the associated chemical evolution proceed? How do stars evolve, and what nuclear signatures do they leave behind? What is the nature of neutron stars and dense matter? How can the knowledge and technological progress provided by nuclear science best be used to benefit society?
Porin-Inspired Ionomers with sub-nm Gated Ion Channels for High Ion Conductivity and Selectivity (Final Project Report (2026))
The physiological functions of living systems heavily rely on biological ion channels, whose malfunction can lead to disease. These channels enable selective and regulated transport of water, ions, or small molecules across membranes. Analogously, ionomers used in energy conversion and storage technologies govern ion transport within membrane separators and catalyst binder layers. This DOE Office of Science Early CAREER project aimed to achieve molecular-level control over ionic conductivity and ion permselectivity by translating the functionalities of biological, gated ion channels into a novel class of ion-conducting polymers (ionomers) incorporating macrocyclic calix[4]arene-based repeat units. The overarching goal was to establish fundamental design principles and elucidate proton conduction mechanisms through strategic design of macrocyclic calix[4]arene-containing ionomers, with close relevance to energy conversion and storage devices, including proton exchange membrane fuel cells (PEMFCs). The project leveraged sub-nm-sized macrocyclic pores to facilitate exceptionally fast ion transport (beneficial to addressing sluggish ORR kinetics of PEMFC electrodes) and achieve functionalities of ionic diodes under applied electrochemical fields, beneficial for selective transport/separation.
Determining the Electronic Structure of Paramagnetic Intermediates in membrane proteins: A high-resolution 2D 1H hyperfine sublevel correlation study of the redox-active tyrosines of photosystem II
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Performance assessment of PHITS simulations for the inverse-kinematic p( 7 Li,n) 7 Be reaction based on fast-neutron measurements with a diamond detector
The inverse-kinematics p( 7 Li,n) 7 Be reaction produces forward-focused neutron emission, offering enhanced usable flux and reduced shielding requirements. Reliable simulation of such neutron fields is essential for the development of compact accelerator-based neutron sources. In this study, a PHITS-based simulation framework for the reaction was experimentally assessed using fast-neutron measurements. Forward-directed neutrons were measured with a diamond neutron detector and quantitatively compared with simulations with newly prepared IK-Frag cross-section file based on the proton-induced reaction data in ENDF/B-VIII.1, TENDL-2023, and JENDL-4.0/HE. Measurements and simulations were performed for incident 7 Li 3+ energies ranging from 15.0 to 25.0 MeV using a 50 μm-thick polypropylene target. For all conditions, the PHITS-based simulation framework reproduced the deposited energy spectra at the correct order of magnitude. The comparison of deposited energy spectra in the diamond detector showed high correlation coefficients across all investigated energies, indicating reasonable agreement in spectral shape between simulations and measurements. This work represents an initial step toward establishing a benchmark for PHITS simulations of the inverse kinematic reaction between an incident lithium-ion and a proton target.
Cryo neutron crystallography demonstrates influence of RNA 2'-OH orientation on conformation, sugar pucker and water structure
The ribose 2'-hydroxyl is the key chemical difference between RNA and DNA and primary source of their divergent structural and functional characteristics. Macromolecular X-ray diffraction experiments typically do not reveal the positions of hydrogen atoms. Thus, standard crystallography cannot determine 2'-OH orientation (H2'-C2'-O2'-HO2' torsion angle) and its potential roles in sculpting the RNA backbone and the expansive fold space. Here, we report the first neutron crystal structure of an RNA, the Escherichia coli rRNA Sarcin-Ricin Loop (SRL). 2'-OD orientations were established for all 27 residues and revealed O-D bonds pointing toward backbone (O3', 13 observations), nucleobase (11) or sugar (3). Most riboses in the SRL stem region show a 2'-OD backbone-orientation. GAGA-tetraloop riboses display a 2'-OD base-orientation. An atypical C2'-endo sugar pucker is strictly correlated with a 2'-OD sugar-orientation. Neutrons reveal the strong preference of the 2'-OH to donate in H-bonds and that 2'-OH orientation affects both backbone geometry and ribose pucker. We discuss 2'-OH and water molecule orientations in the SRL neutron structure and compare with results from a solution phase 10 μs MD simulation. We demonstrate that joint cryo-neutron/X-ray crystallography offers an all-in-one approach to determine the complete structural properties of RNA, i.e. geometry, conformation, protonation state and hydration structure.
A life cycle assessment of e-hydrogen production using proton-exchange membrane water electrolysis coupled with desalination in Saudi Arabia
Hydrogen, considered a crucial element in the transition towards a sustainable energy future, offers the potential to mitigate greenhouse gas (GHG) emissions and reduce reliance on fossil fuels. Here, this study explores the viability of hydrogen production using proton exchange membrane water electrolysis (PEMWE) as a key driver of decarbonization within the Vision 2030 framework in the Kingdom of Saudi Arabia. A first-of-a-kind life cycle assessment (LCA) of electrolytic hydrogen (e-hydrogen) production using PEMWE in the Kingdom is performed. As the hydrogen will be produced in a freshwater scarce region, the inclusion of water desalination processes adds an important dimension to the assessment, reflecting the local context and resource availability. Two main renewable energy scenarios are assessed: solar energy through photovoltaics (PV) and wind energy through onshore turbines. The global warming potential (GWP) results indicate a GHG emissions reduction of up to 95 % compared to the state-of-the-art steam methane reforming process if the electrolysis process is powered exclusively by renewable electricity. The scenarios powered by solar and wind energy result in 3.66 and 0.76 kg CO 2 eq/kg H 2 , respectively. The metal depletion is assessed to consider the requirement of rare materials, with a 7.19 × 10 −2 kg Cu eq/kg H 2 for the solar scenario and 2.82 × 10 −2 kg Cu eq/kg H 2 for the wind scenario. A contribution analysis reveals that the majority of emissions in both scenarios originate from the electricity used for electrolysis, with the electrolyser itself contributing minimally. The absolute impact of the water desalination process is the same in both scenarios; however, it appears more prominent in the wind-powered case due to the significantly lower overall emissions in that scenario. The findings underscore the importance of renewable energy integration and process optimization in minimizing environmental impacts and advancing the sustainability of e-hydrogen production.
A development of wide dynamic-range halo monitor for 8 GeV proton beams at FNAL
The FNAL accelerator complex has been upgrading in increasing beam intensity and beam quality. A new beam halo diagnostic device is required in the beam transport line between booster and Recycler. For this purpose, it was decided to introduce the wide dynamic range monitor technique that was developed in 2012 and has been in operation at the J-PARC beam transport line. The device is a two-dimensional beam profile monitor, and it has a dynamic range of approximately six digits of magnitude by using of Optical Transition Radiation and fluorescence screens. Eliminating harmful beam halos is the most important technique for high-intensity proton accelerators. Therefore, beam halo diagnosis is indispensable and becomes more and more important. New FNAL device has been manufactured in a collaboration between J-PARC and FNAL as a part of U.S.-Japan Science and Technology Cooperation Program in High Energy Physics. The equipment will be manufactured at J-PARC and will be shipped to FNAL in 2025.We designed the device to satisfy FNAL specifications: the beam energy, intensity, and size. Currently, most of the equipments are under construction. The large-aperture optical system has been completed and its optical characteristics are being evaluated at J-PARC. We have been also investigating measurement methods corresponding to FNAL bunch trains. This paper reports on the current status of these developments.