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DOE OSTI2024

Inclusive cross section measurements in final states with and without protons for charged-current ν μ -Ar scattering in MicroBooNE

A detailed understanding of inclusive muon neutrino charged-current interactions on argon is crucial to the study of neutrino oscillations in current and future experiments using liquid argon time projection chambers. To that end, we report a comprehensive set of differential cross section measurements for this channel that simultaneously probe the leptonic and hadronic systems by dividing the channel into final states with and without protons. Measurements of the proton kinematics and proton multiplicity of the final state are also presented. For these measurements, we utilize data collected with the MicroBooNE detector from 6.4 × 10 20 protons on target from the Fermilab booster neutrino beam at a mean neutrino energy of approximately 0.8 GeV. We present in detail the cross section extraction procedure, including the unfolding, and model validation that uses data to model comparisons and the conditional constraint formalism to detect mismodeling that may introduce biases to extracted cross sections that are larger than their uncertainties. The validation exposes insufficiencies in the overall model, motivating the inclusion of an additional data-driven reweighting systematic to ensure the accuracy of the unfolding. The extracted results are compared to a number of event generators and their performance is discussed with a focus on the regions of phase space that indicate the greatest need for modeling improvements. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Proton radiography inversions with source extraction and comparison to mesh methods

In this article, proton radiography is a central diagnostic technique for measuring electromagnetic (EM) fields in high-energy-density, laser-produced plasmas. In this technique, protons traverse the plasma where they accumulate small EM deflections which lead to variations in the proton fluence pattern on a detector. Path-integrated EM fields can then be extracted from the fluence image through an inversion process. In this work, experiments of laser-driven foils were conducted on the OMEGA laser and magnetic field reconstructions were performed using both “fluence-based” techniques and high-fidelity “mesh-based” methods. We implement nonzero boundary conditions into the inversion and show their importance by comparing against mesh measurements. Good agreement between the methods is found only when nonzero boundary conditions are used. We also introduce an approach to determine the unperturbed proton source profile, which is a required input in fluence reconstruction algorithms. In this approach, a fluence inversion is embedded inside of a mesh region, which provides overconstrained magnetic boundary conditions. A source profile is then iteratively optimized to satisfy the boundary information. This method substantially enhances the accuracy in recovering EM fields. Lastly, we propose a scheme to quantify uncertainty in the final inversion that is introduced through errors in the source retrieval.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Specificity and tunability of efflux pumps: A new role for the proton gradient?

Efflux pumps that transport antibacterial drugs out of bacterial cells have broad specificity, commonly leading to broad spectrum resistance and limiting treatment strategies for infections. It remains unclear how efflux pumps can maintain this broad spectrum specificity to diverse drug molecules while limiting the efflux of other cytoplasmic content. We have investigated the origins of this broad specificity using theoretical models informed by the experimentally determined structural and kinetic properties of efflux pumps. We developed a set of mathematical models describing operation of efflux pumps as a discrete cyclic stochastic process across a network of states characterizing pump conformations and the presence/absence of bound ligands and protons. These include a minimal three-state model that lends itself to clear analytic calculations as well as a five-state model that relaxes some of the simpler model’s most strict assumptions. We found that the pump specificity is determined not solely by the drug affinity to the pump–as is commonly assumed–but it is also directly affected by the periplasmic pH and the transmembrane potential. Therefore, changes to the proton concentration gradient and voltage drop across the membrane can influence how effective the pump is at extruding a particular drug molecule. Furthermore, we found that while both the proton concentration gradient across the membrane and the transmembrane potential contribute to the thermodynamic force driving the pump, their effects on the efflux enter not strictly in a combined proton motive force. Rather, they have two distinguishable effects on the overall throughput. These results highlight the unexpected effects of thermodynamic driving forces out of equilibrium and illustrate how efflux pump structure and function are conducive to the emergence of multidrug resistance.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Proposal for a proton-bunch compression experiment at IOTA in the strong space-charge regime

The longitudinal compression of intense proton bunches with strong space-charge force is an essential component of a proton-based muon source for a muon collider. This paper discusses a proton-bunch compression experiment at the Integrable Optics Test Accelerator (IOTA) storage ring at Fermilab to explore optimal radio frequency (RF) cavity and lattice configurations. IOTA is a compact fixed-energy storage ring that can circulate a 2.5-MeV proton beam with varying beam parameters and lattice configurations. The study will aim to demonstrate a bunch-compression factor of at least 2 in the IOTA ring while examining the impact of intense space-charge effects on the compression process.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Defining the Mechanism of Proton Pumping in Heme-Copper Oxidases

During this award, progress was made in two distinct areas of science, one was within the context of bioinorganic chemistry and another in the context of biomimetic, small molecule chemistry. The overarching goals of this work was to understand the fundamental mechanistic drivers for biological reactions specifically, proton transfer reactions. In the biochemical sphere, this goal was investigated through investigation of the bacterial proton pump, ubiquinol oxidase (UbO). Further work in the bioinorganic space was completed in collaboration with the Bandarian group on a novel natural peptide product. While in the biomimetic space, this work was explored through a computational collaborative study with the Riordan group relating to proton coupled electron transfers in iron complexes as relating to the heme active site in proton pumping enzymes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Proposal for a Proton-Bunch Compression Experiment at IOTA in the Strong Space-Charge Regime

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Performance Optimization of the IOTA Duoplasmatron Proton Source

We present results from online optimization studies of a duoplasmatron ion source designed to produce 50~keV protons for acceleration to 2.5~MeV and subsequent injection into the Integrable Optics Test Accelerator (IOTA) at Fermilab. Using a Bayesian exploration technique, we developed multi-parameter models of the source s proton current and employed these models to optimize its performance. Depending on the spectrometer configuration used to isolate the proton beam and the chosen optimization objective, we identified three candidate operating points, achieving normalized 50~\% emittances between 0.57 and 1.3~\textmu m and a maximum proton current of $14.5 \pm 0.6$~mA.

Banerjee, Nilanjan [Fermilab] (ORCID:0000000344660↗

DOE OSTI2024

A Platform for Ultra-Fast Proton Probing of Matter in Extreme Conditions

Recent developments in ultrashort and intense laser systems have enabled the generation of short and brilliant proton sources, which are valuable for studying plasmas under extreme conditions in high-energy-density physics. However, developing sensors for the energy selection, focusing, transport, and detection of these sources remains challenging. This work presents a novel and simple design for an isochronous magnetic selector capable of angular and energy selection of proton sources, significantly reducing temporal spread compared to the current state of the art. The isochronous selector separates the beam based on ion energy, making it a potential component in new energy spectrum sensors for ions. Analytical estimations and Monte Carlo simulations validate the proposed configuration. Due to its low temporal spread, this selector is also useful for studying extreme states of matter, such as proton stopping power in warm dense matter, where short plasma stagnation time (<100 ps) is a critical factor. The proposed selector can also be employed at higher proton energies, achieving final time spreads of a few picoseconds. This has important implications for sensing technologies in the study of coherent energy deposition in biology and medical physics.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Electron Influence on the Parallel Proton Firehose Instability in 10-moment, Multifluid Simulations

Instabilities driven by pressure anisotropy play a critical role in modulating the energy transfer in space and astrophysical plasmas. For the first time, we simulate the evolution and saturation of the parallel proton firehose instability using a multifluid model without adding artificial viscosity. These simulations are performed using a 10-moment, multifluid model with local and gradient relaxation heat-flux closures in high-β proton–electron plasmas. When these higher-order moments are included and pressure anisotropy is permitted to develop in all species, we find that the electrons have a significant impact on the saturation of the parallel proton firehose instability, modulating the proton pressure anisotropy as the instability saturates. Even for lower β's more relevant to heliospheric plasmas, we observe a pronounced electron energization in simulations using the gradient relaxation closure. Our results indicate that resolving the electron pressure anisotropy is important to correctly describe the behavior of multispecies plasma systems.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Effects of Proton Irradiation on the Performance of Skipper CCDs

Skipper CCDs are a mature detector technology that has been suggested for future space telescope instruments requiring sub-electron readout noise in the near-ultraviolet to the near-infrared. While modern skipper CCDs inherit from the radiation-tolerant p-channel detectors developed by LBNL, the effects of high doses of ionizing radiation on skipper CCDs (such as those expected in space) remains largely unmeasured. We report preliminary results on the performance of p-channel skipper CCDs following irradiation with 217-MeV protons at the Northwestern Medicine Proton Center. The total nonionizing energy loss (NIEL) experienced by the detectors exceeds 6 years at the Sun-Earth Lagrange Point 2 (L2). We demonstrate that the skipper amplifier continues to function as expected following this irradiation. Owing to the low readout noise of these detectors, controlled irradiation tests can be used to sensitively characterize the charge transfer inefficiency, dark current, and the density and time constants of charge traps as a function of proton fluence. We conclude with a brief outlook toward future tests of these detectors at other proton and gamma-ray facilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Achilles and GENIE Model Comparisons Between Quasi-Elastic Proton Exclusive Events in DUNE PRISM ND-LAr

In this study, we analyze simulated CCQE proton exclusive events in DUNE s ND-LAr using Achilles and GENIE Monte Carlo event generators. We generate events using muon neutrino exclusive flux files of DUNE s on-axis and 20m off-axis PRISM positions and compare various kinematics of proton exclusive events between the event generators. Events are further analyzed in categories according to the number of final-state protons. This study was motivated by QE s dominance in statistics for off-axis events over other channels in which off-axis events are very useful for characterizing DUNE s flux. Furthermore, our motivation for comparing results between generators is driven by off-axis QE neutrino spectra peaking below 1 GeV. In this region, many low-energy proton events are produced in which models have been shown to have disagreements.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

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)]↗

DOE OSTI2025

Revolutionizing Methane Transformation with the Dual Production of Aromatics and Electricity in a Protonic Ceramic Electrocatalytic Membrane Reactor

Reducing the energy and carbon intensity of the conventional chemical processing industry can be achieved by electrochemically transforming natural gases into higher-value chemicals with higher efficiency and near-zero emissions. In this work, the direct conversion of methane to aromatics and electricity has been achieved in a protonic ceramic electrocatalytic membrane reactor through the integration of a proton-conducting membrane assembly and a trimetallic Pt–Cu/Mo/ZSM-5 catalyst for the nonoxidative methane dehydro-aromatization reaction. In this integrated system, a remarkable 15.6% single-pass methane conversion with an 11.4% benzene yield has been demonstrated, while a peak power density of 276 mW cm –2 is obtained at 700 °C. The enhanced 15.7% increase in conversion and 16.0% improvement in the yield are observed when compared with the thermochemical process, which is attributed to the shift of reaction equilibrium by the removal of hydrogen through the protonic membrane. Concurrently, the faster H2 removal at a higher electrical current gave rise to a higher methane conversion and benzene yield. Furthermore, the catalyst can be efficiently regenerated by eliminating carbon deposition. A stable cell potential is maintained for 45 h under a constant current load of 0.13 A cm –2 . Lastly, the dual production of aromatics and electricity in the electrocatalytic membrane reactor has been demonstrated to be an attractive approach for decarbonizing chemical processing.

aromatic compounds↗

DOE OSTI2025

Effect of Sulfonation Level on the Percolated Morphology and Proton Conductivity of Hydrated Fluorine-Free Copolymers: Experiments and Simulations

Using all-atom molecular dynamics simulations and a variety of experimental methods, we previously reported on a linear polyethylene with pendant phenyl sulfonated groups precisely on every fifth carbon along the backbone. With increasing relative humidity this fluorine-free polymer self-assembled to form nanoscale water channels and exhibited exceptional proton conductivity. Expanding upon those findings, here we explore partially sulfonated random copolymers, referred to as p 5PhSH-Y. Using either acetyl sulfate or sulfuric acid, a wide range of sulfonation levels were prepared ( Y = 34−98%) corresponding to ion-exchange capacities (IEC) of 2.0−4.4 mmol/g. Combining experimental techniques and all-atom molecular dynamics simulations, we study the effect of Y on water uptake, nanoscale morphology, and the proton/water transport properties of p5PhSH- Y . The proton conductivity of p 5PhSH- Y increases with relative humidity and with Y and achieves values in excess of 0.1 S/cm. These high conductivities are attributed to high IEC and welldeveloped nanoscale percolated hydrophilic domains made possible by the flexible backbone. We quantitatively describe the nature of the water channels using the characteristic distance, channel width distribution, the area per sulfonate group at the hydrophilic/ hydrophobic interface, and the fractal dimension. Notably, the channel widths and the areas per sulfonate group are nominally independent of the level of sulfonation, while depending significantly on the level of hydration. The fractal dimension of the water channels correlates strongly with the water diffusion coefficients calculated from the molecular dynamics (MD) simulations. These findings demonstrate that the p 5PhSH- Y hydrocarbon copolymers can be modified to tune properties, particularly proton conductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Proton radiation resilience of CdSeTe photovoltaics: High predicted end-of-life performance for space applications

Two types of cadmium selenide telluride (CdSeTe) photovoltaic devices have been exposed to high-energy (150–1500 keV) protons with fluences ranging from 1 × 10 11 to 9 × 10 13 cm −2 . Pre- and post-irradiation current density vs voltage characteristic data were collected and analyzed. Arsenic-doped CdSeTe devices retained 80% of the power conversion efficiency (PCE) relative to control devices after exposure to 10 12 cm −2 650 keV protons, while copper-doped CdSeTe devices retained about 95% of the control PCE under the same irradiation condition. Displacement damage dose analysis coupled with simulations for duration-dependent performance in a medium Earth orbit space mission revealed superior PCE remaining factors, indicating greater resilience to proton bombardment than state-of-the-art multijunction III-V based space photovoltaic technologies.

CdTe solar cells↗

DOE OSTI2026

Non-Contact Eddy Current Method for Assessing Proton Conductivity in Nafion Membranes

Accurate measurement of proton conductivity in Proton Exchange Membranes (PEMs) is vital for fuel cell performance and durability. This study explores eddy current testing as a non-destructive, non-contact and high-rate quality control (QC) method for measuring Nafion membrane proton conductivity, with potential for high-volume manufacturing applications.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

Self‐Assembled Membranes for High Ion Selectivity and Proton Blocking in Electrochemical Applications

Anion-exchange membranes (AEMs) with high anion/cation selectivity and exceptional proton-blocking ability are critical for applications such as bipolar membrane electrodialysis and electrochemical acid recovery. However, existing AEMs are constrained by a trade-off between ionic conductivity and selectivity, largely due to the intrinsic coupling between charge density and water content, and they suffer from excessive proton leakage facilitated by the Grotthuss hopping mechanism. In this work, poly(vinylimidazolium) membranes functionalized with long alkyl side chains that self-assemble into well-defined microphase-separated morphologies stabilized by hydrophobic and electrostatic interactions are reported. These unique structures localize the charge density along the polymer backbone to promote fast and selective ion transport. As a result, these membranes exhibit ionic conductivities and counter-ion diffusivities surpassing those of conventional homogeneous membranes, along with unprecedented counter-ion/co-ion selectivity and proton-blocking ability. These results establish a new design paradigm for high-performance, phase separated charged polymer membranes that overcome the limitations of homogeneous membranes, with broad implications for advanced electrochemical technologies.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Dual-function lignin monomers enable high-performance graphene electrodes via interface confinement and proton transfer enhancement

Graphene oxide (GO)-based energy storage faces dual bottlenecks: unsustainable reduction methods and sluggish proton transfer kinetics. Here, we introduce a groundbreaking green strategy using lignin-derived vanillyl alcohol (VA) as a dual-function monomer to simultaneously address these challenges. By thermally annealing GO/VA films at mild temperatures (<100 °C), VA triggers an interface-confined reduction of GO while self-polymerizing into redox-active oligomers (P-VA) that intercalate between graphene layers. This dual role-reducing agent and proton highway enables a 3D conductive network with minimized graphene restacking, abundant redox sites, and rapid H + transport pathways. Density Functional Theory (DFT) reveals how P-VA optimizes proton dynamics, while the resulting rGO-P-VA4-T90 electrode achieves a record volumetric capacitance of 311.1F/cm 3 (777.8F/cm 2 ) and retains 87.8 % capacity after 10,000 cycles. Flexible solid-state supercapacitors deliver 94.2 μWh/cm 2 energy density at 63.8 μW/cm 2 , rivaling state-of-the-art devices. Furthermore, this work redefines sustainable graphene engineering, merging biomass valorization with high-performance energy storage in a scalable, eco-friendly paradigm.

Graphene oxide reduction↗