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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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At least 343 records · Page 19

A cryogenically cooled 200 kV DC photoemission electron gun for ultralow emittance photocathodes

Novel photocathode materials like ordered surfaces of single crystal metals, epitaxially grown high quantum efficiency thin films, and topologically non-trivial materials with dirac cones show great promise for generating brighter electron beams for various accelerator and ultrafast electron scattering applications. Despite several materials being identified as brighter photocathodes, none of them have been tested in electron guns to extract electron beams due to technical and logistical challenges. In this paper, we present the design and commissioning of a cryocooled 200 kV DC electron gun that is capable of testing a wide variety of novel photocathode materials over a broad range of temperatures from 298 to 35 K for bright electron beam generation. This gun is designed to enable easy transfer of the photocathode to various standard ultra-high-vacuum surface diagnostics and preparation techniques, allowing a full characterization of the dependence of beam brightness on the photocathode material and surface properties. We demonstrate the development of such a high-voltage, high-gradient gun using materials and equipment that are easily available in any standard university lab, making the development of such 200 kV electron guns more accessible.

Instruments & Instrumentation↗

Modeling laser-driven ion acceleration with deep learning

Developments in machine learning promise to ameliorate some of the challenges of modeling complex physical systems through neural-network-based surrogate models. High-intensity, short-pulse lasers can be used to accelerate ions to mega-electronvolt energies, but to model such interactions requires computationally expensive techniques such as particle-in-cell simulations. Multilayer neural networks allow one to take a relatively sparse ensemble of simulations and generate a surrogate model that can be used to rapidly search the parameter space of interest. In this study, we created an ensemble of over 1,000 simulations modeling laser-driven ion acceleration and developed a surrogate to study the resulting parameter space. A neural-network-based approach allows for rapid feature discovery not possible for traditional parameter scans given the computational cost. A notable observation made during this study was the dependence of ion energy on the pre-plasma gradient length scale. While this methodology harbors great promise for ion acceleration, it has ready application to all topics in which large-scale parameter scans are restricted by significant computational cost or relatively large, but sparse, domains.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

How Does Water Dissociation Work in Bipolar Membranes?

Bipolar membranes (BPMs) create counteracting spatial gradients of pH and electrostatic potential in electrochemical systems, enabling applications in pH regulation, electrocatalysis, and separations. At the polarized junction of a BPM the water dissociation (WD, 2H2O ⇌ H3O+ + OH-) reaction can be driven, but it remains poorly understood. In this Perspective, we integrate molecular insights from bulk-water autoionization and the associated field effects with continuum descriptions of BPM electrostatics and experimental WD kinetic analyses to describe possible mechanisms of voltage-driven WD. Pristine BPM junctions highlight both the limits of primarily electric-field-driven WD and the practical challenges of junction stability at extreme reverse bias. Introducing heterogeneous catalyst layers, commonly metal oxides and graphene oxides, accelerates WD by orders of magnitude through hypothesized coupled effects in which surface acid-base functionality and high-density hydroxyl sites mediate proton-transfer steps, and catalyst mobile electronic/ionic charges redistribute the junction electric potential drop to shape the local electric fields and reactive microenvironments. Kinetic analyses suggest two regimes of heterogeneous WD mechanism, including field-driven ordering of interfacial water and a Second-Wien-Effect dissociation-barrier lowering. We conclude by defining the key unknown variables (local pH, electrostatic potential, catalyst charge state and relationships among mechanisms) and outlining experimental and multiscale modeling strategies needed for predictive WD catalysis and for controlling related ion-transfer reactions.

Wu, Yifan↗

AMPPED LDRD: Advanced Models of the Physics & Phenomena of Electrical Discharge.

This Laboratory Directed Research and Development (LDRD) project aimed at addressing an unmet need for physics-based models that enable prediction of electrical breakdown in the presence of high voltage gradients and real-world environments. This project focused on understanding coupled plasma-surface feedback phenomena critical to electrical discharge processes and design of breakdown voltages, breakdown times, and breakdown paths. New secondary electron emission and coupled plasma-surface measurement methods and models were developed. Highly reproducible discharge experiments were developed to provide current-voltage data as a function of time, and methods were developed to condition electrodes for predictable discharge. To assess plasma-surface feedback mechanisms, new surface physics capabilities, including measurement systems for local and global photoemission yield and ion-induced secondary electron emission yield were developed. Discharge models were developed to incorporate these yields for predicting discharge behavior to understand influence of surface physics on discharge current and time evolution, and methods to accelerate these simulations were demonstrated. A key finding was that the initiation process of a non-vacuum discharge appears highly dependent on photoemission at the cathode. Advanced diagnostics were developed, including spatial electrical field imaging, spectroscopy of plasmas, and high-speed imaging of discharge event s in metal and dielectric environments. These diagnostics and improved electrical models are a step toward enabling quantitative design margins, assurance of safety architectures, and implementation of novel materials and technologies for wide ranging energy and electronics applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Understanding the field and frequency dependence of rf loss in SRF cavities

SRF cavities subjected to heat treatment below 200 °C in the presence of nitrogen showed an improvement in quality factor while maintaining an accelerating gradient above 25 MV/m. Here, we report the rf performance of several single-cell superconducting radio frequency cavities with frequency ranging from 0.75 - 3.0 GHz subjected to low temperature heat treatment in nitrogen environment. The cavities were treated at temperature 120 - 175 oC for 24 - 48 hours in low partial pressure of ultra-pure nitrogen gas. The improvement in Q? with Q-rise was observed when nitrogen gas was injected ~300 °C during the furnace treatment. The surface modification was confirmed by the change in electronic mean free path and near surface elemental analysis by SIMS. The field dependence of the rf losses is strongly correlated to the cavity frequency. The analysis of experimental data with available theoretical models as well as comparison with similar study on high temperature nitrogen doped cavities will be presented.

Ciovati, Gianluigi↗

High-throughput screening of multifunctional nanocoatings based on combinations of polyphenols and catecholamines

Biomimetic surface coatings based on plant polyphenols and catecholamines have been used broadly in a variety of applications. However, the lack of a rational cost-effective platform for screening these coatings and their properties limits the true potential of these functional materials to be unleashed. Here, we investigated the oxidation behavior and coating formation ability of a library consisting of 45 phenolic compounds and catecholamines. UV–vis spectroscopy demonstrated significant acceleration of oxidation and polymerization under UV irradiation. We discovered that several binary mixtures resulted in non-additive behavior (synergistic or antagonistic effect) yielding much thicker or thinner coatings than individual compounds measured by ellipsometry. To investigate the properties of coatings derived from new combinations, we used a miniaturized high-throughput strategy to screen 2,532 spots coated with single, binary, and ternary combinations of coating precursors in one run. We evaluated the use of machine learning models to learn the relation between the chemical structure of the precursors and the thickness of the nanocoatings. Formation and stability of nanocoatings were investigated in a high-throughput manner via discontinuous dewetting. 30 stable combinations (hits) were used to tune the surface wettability and to form water droplet microarray and spot size gradients of water droplets on the coated surface. No toxicity was observed against eukaryotic HeLa cells and Pseudomonas aeruginosa (strain PA30) bacteria after 24 h incubation at 37 C. The strategy introduced here for high-throughput screening of nanocoatings derived from combinations of coating precursors enables the discovery of new functional materials for various applications in science and technology in a cost-effective miniaturized manner.

36 MATERIALS SCIENCE↗

A dual dynamic shutter system for accelerating ion irradiation sample throughput via lateral gas implantation gradients

Ion irradiation for material performance testing is limited due to its serial nature, which allows for only one value of the implantation (appm) versus dose (dpa) parameter space to be explored for each ion and experiment at a time. While ion irradiation can accelerate the process by up to three orders of magnitude compared to neutron irradiation experiments, the sample throughput for ion irradiation remains relatively low. To address these limitations, a novel capability has been developed at the Michigan Ion Beam Laboratory (MIBL), enabling for the creation of single- and two-dimensional lateral ion implantation gradients using recently installed motorized-controlled ion-beam shutters. This advancement can generate a wide scope of the two-dimensional (H+, He2+) implantation parameter space within a single sample. Integration of this new capability now allows for dual- and triple-ion beam experiments to be performed with full user control over not only the ion implantation depth, but also laterally across the sample by imposing ion implantation concentration gradients, thus providing researchers with a high-throughput means for material testing under various irradiation conditions. Furthermore, recent improvements in MIBL's microbeam ion-beam analysis (IBA) target station now allow for probing these concentration gradients in irradiated alloys with exceptional spatial resolution, down to 10 µm. These two approaches promise to significantly improve ion irradiation capabilities and increase the sample throughput by several orders of magnitude. The application of the shutter technique plus the subsequent microbeam characterization of the imposed implantation gradients are showcased by two proof-of-principle ion-irradiated experiments, one performed on single-crystal Si and the other on the fusion-candidate alloy F82H-IEA. These advancements mark a substantial leap in ion-beam technology, offering researchers a robust, high-throughput method to efficiently investigate candidate alloys with high technological readiness for both advanced fission and fusion reactor applications, in a time- and cost-effective manner.

36 - MATERIALS SCIENCE↗

Status of CEBAF Upgrades

Extending CEBAF energy reach by increasing the number of recirculations, while using the existing SRF system is being explored. Proposed energy upgrade is based on a new approach to multi-pass acceleration of electrons in a single Fixed Field Alternating Gradient (FFA) beam line, configured with Halbach-style permanent magnets. Encouraged by recent success of CBETA, a proposal was formulated to nearly ?double? CEBAF energy by replacing the highest energy arcs with a pair of FFA arcs. The new non-scaling FFA arcs would support simultaneous transport of additional 6 passes with energies spanning a factor of two. One of the challenges of the multi-pass (11) linac optics is to assure uniform focusing in a vast range of energies, in a fixed field lattice. Here, we propose a triplet lattice that would provide a stable periodic solution covering energy ratio of 1:33. The current CEBAF injection at 123 MeV, makes optical matching in the first linac virtually impossible due to extremely high energy span ratio (1:175). Replacement of the current injector with a 650 MeV recirculating injector will alleviate that problem. Orbital and optical matching from the FFA arcs to the linacs is implemented as a compact non-adiabatic insert. Presented scheme would promise to deliver a 22 GeV beam with normalized emittance of 76 mm·mrad and with a relative energy spread of 1×10-3. Further recirculation beyond 22 GeV is limited by large, 974 MeV per electron, energy loss due to synchrotron radiation

Bogacz, Alex↗

CEBAF 22 GeV FFA energy upgrade

Extending the energy reach of CEBAF by increasing the number of recirculations, while using the existing linacs is explored. This energy upgrade is based on the multi-pass acceleration of electrons in a single non-scaling Fixed Field Alternating Gradient (FFA) beam line, using Halbach-style permanent magnets. Encouraged by the recent successful demonstration of CBETA, a proposal was formulated to nearly double the energy of CEBAF from 12 to 22~GeV by replacing the highest energy arcs with FFA transport. The new FFA arcs would support simultaneous transport of an additional 6 passes spanning roughly a factor of two in energy. One of the challenges of the multi-pass (11) linac optics is to assure uniform focusing over a wide range of energies. Here, we propose a triplet lattice that provides a stable periodic solution covering an energy ratio of 1:33. The current CEBAF injection at 123 MeV, makes optical matching in the first linac impossible due to the extremely high energy ratio (1:175). Replacement of the current injector with a 650 MeV recirculating injector will alleviate this issue. Orbital and optical matching from the FFA arcs to the linacs is implemented as a compact non-adiabatic insert. The design presented here is anticipated to deliver a 22 GeV beam with normalized emittance of 76 mm·mrad and a relative energy spread of 1×10\textsuperscript{-3}. Further recirculation beyond 22 GeV is limited by the large (974 MeV per electron) energy loss due to synchrotron radiation.

Benesch, J.↗

CEBAF 22 GeV FFA energy upgrade

Extending the energy reach of CEBAF by increasing the number of recirculations, while using the existing linacs is explored. This energy upgrade is based on the multi-pass acceleration of electrons in a single non-scaling Fixed Field Alternating Gradient (FFA) beam line, using Halbach-style permanent magnets. Encouraged by the recent successful demonstration of CBETA, a proposal was formulated to nearly double the energy of CEBAF from 12 to 22~GeV by replacing the highest energy arcs with FFA transport. The new FFA arcs would support simultaneous transport of an additional 6 passes spanning roughly a factor of two in energy. One of the challenges of the multi-pass (11) linac optics is to assure uniform focusing over a wide range of energies. Here, we propose a triplet lattice that provides a stable periodic solution covering an energy ratio of 1:33. The current CEBAF injection at 123 MeV, makes optical matching in the first linac impossible due to the extremely high energy ratio (1:175). Replacement of the current injector with a 650 MeV recirculating injector will alleviate this issue. Orbital and optical matching from the FFA arcs to the linacs is implemented as a compact non-adiabatic insert. The design presented here is anticipated to deliver a 22 GeV beam with normalized emittance of 76 mm·mrad and a relative energy spread of 1×10\textsuperscript{-3}. Further recirculation beyond 22 GeV is limited by the large (974 MeV per electron) energy loss due to synchrotron radiation.

Benesch, J.↗

MOOSE ProbML: Parallelizable Probabilistic Machine Learning and Uncertainty Quantification Capabilities

The Multiphysics Object Oriented Simulation Environment (MOOSE) is a widely used open- source finite element software for performing multiphysics multiscale simulations in a massively parallel fashion. Recently, the computational team at Idaho National Laboratory (INL) has implemented Probabilistic Machine Learning (ProbML) capabilities in MOOSE—in a parallelized fashion—and enable active learning with large-scale computational models for tasks such as surrogate model development, scale bridging, forward/inverse uncertainty quantification (UQ), Bayesian optimization, etc. This presentation summarizes these developments in MOOSE along with demonstrations on several real applications relevant to nuclear energy. At the fundamental level, samplers like Monte Carlo/Latin Hypercube, variance reduction, parallelized Markov Chain Monte Carlo (MCMC) support uncertainty propagation in both forward and inverse settings. These samplers can be integrated with the Gaussian processes (GP) suite in MOOSE, which offer several variants like scalar GPs, multi-output GPs, and deep GPs, to enable active learning. These GPs can be tuned using gradient-based optimization methods like Adam and its variants or gradient-free methods like the elliptical slice sampler (a variant of MCMC adept under Gaussian settings) for more complex covariance kernels or likelihoods whose gradient computations can be cumbersome. A variety of batch acquisition functions permit parallelized evaluation of the computational model and support different learning objectives with high efficiency like Bayesian inference, global surrogate development, optimization, etc. Furthermore, libtorch integration supports training, evaluation, and re-training of neural networks and other complex machine learning models in active learning settings. The impacts of these developments are shown on several real applications: (1) nuclear fuel inverse UQ and model inadequacy assessment using the Kennedy O’Hagan framework; (2) uncertainty aware surrogate modeling for additive manufacturing to predict field quantities; (3) nuclear reactor rare events analysis; and (4) complex fluid flow prediction using a global surrogate with quantified prediction uncertainty. Finally, the outlook of MOOSE ProbML is discussed for both outer-loop and inner-loop computations in the broad view to accelerate fuels and materials qualification, address gaps in knowledge and data, and assess new reactor/fuel systems.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Autonomous phase mapping of gold nanoparticles synthesis with differentiable models of spectral shape

Autonomous experimentation–or self-driving labs–offers a systematic approach to accelerate materials discovery by integrating automated synthesis, characterization, and data-driven decision-making. We present a closed-loop workflow for the on-demand synthesis and structural characterization of colloidal gold nanoparticles, enabling direct mapping from composition to nanoscale structure. Our framework leverages differentiable models of spectral shape to address two central tasks in self-driving labs: (a) phase mapping, or identifying compositional regions with distinct structural behavior; and (b) material retrosynthesis, or optimizing compositions for target structure. Using functional data analysis, we develop a data-driven model with generative pre-training, active learning, and high-throughput experiments to predict spectral responses across composition space. We demonstrate the approach on seed-mediated growth of gold nanoparticles, showcasing its ability to extract design rules, reveal secondary interactions, and efficiently navigate morphology space. Gradient-based optimization of the models enables inverse design, making this a unified platform.

36 MATERIALS SCIENCE↗

Origins of quench in buffered chemical polished and low temperature baked SRF cavities

Electropolishing (EP) and buffered chemical polishing (BCP) are conventional surface preparation techniques for superconducting radiofrequency (SRF) cavities that remove damaged material from the cavity surface. One main issue with EP and BCP treated SRF cavities is high field Q-slope (HFQS), a drop in quality factor at high gradients that limits quench field. High gradient performance in EP cavities can be improved by applying a low temperature bake (LTB), but LTB does not consistently remove HFQS in BCP cavities. There is no consensus as to the why LTB is not effective on BCP prepared cavities, and the cause of HFQS in BCP cavities is not well understood. We examine the origins of quench in EP, BCP, EP+LTB, and BCP+LTB treated SRF cavities. We also show the effect of these treatments on the onset of HFQS, heating within the cavity up to quench, concentration of free hydrogen, and surface roughness.

43 PARTICLE ACCELERATORS↗

22 GeV CEBAF with Novel Fixed Field Alternating Gradient Design

Extending the energy reach of CEBAF up to 22 GeV within the existing tunnel is being explored. Proposed energy upgrade can be achieved by increasing the number of recirculations, while using the existing CEBAF SRF cavity system. Presented scheme is based on an exciting new approach to acceleratie electrons efficiently with multiple passes in a single FFA beam line. Encouraged by recent success of the CBETA Test Accelerator, a proposal was formulated raise CEBAF energy by replacing the highest-energy arcs with Fixed Field Alternating Gradient (FFA) arcs. The new pair of arcs configured with FFA lattice would support simultaneous transport of additional 6 passes with energies spanning a factor of two, using the non-scaling FFA principle implemented with Halbach-derived permanent magnets - a novel magnet technology that significantly saves energy and lowers operating costs. One of the challenges of the multi-pass (11) linac optics is to provide uniform focusing in a vast range of energies, using fixed field lattice. Here, we propose a triplet lattice scaled up with increasing momentum along the linac. This would provide a stable periodic solution covering energy ratio of 1:33. The current CEBAF configured with a 123 MeV injector, makes optical matching in the first linac virtually impossible due to extremely high energy span ratio (1:175). Therefore, we envision replacement of the current injector with a 650 MeV 3-pass recirculating injector based on the existing LERF facility. Finally, the 22 GeV CEBAF would promise to deliver in 10-passes a beam with normalized emittance of 80 mm·mrad and with a relative energy spread of 1.5 × 10-3. Further recirculation beyond 22 GeV is limited by large, 974 MeV per electron, energy loss due to synchrotron radiation.

Bogacz, Slawomir↗

The nitrogen gap in soil health concepts and fertility measurements

Soil nitrogen (N) often limits productivity in agroecosystems, prompting fertilizer applications that increase crop yields but can degrade the environment. Nitrogen's dual role in both productivity and environmental quality should center it in soil health frameworks. We use recent evidence to argue that N availability is an emergent property of the integrated soil biogeochemical system and is strongly influenced by plant traits and their interactions with microbes and minerals. Building upon this, we theorize that the sources of plant and microbial N shift across soil health gradients, from inorganic N dependence in ecologically simple systems with poor soil health to a highly networked supply of organic N in healthy soils; ergo, investments in soil health should increase ecological complexity and the pathways by which plants can access N, leading to more resilient nutrient supplies and yields in a variable climate. However, current N assessment methods derive from a historical emphasis on inorganic N pool sizes and are unable to capture the shifting drivers of N availability across soil health gradients. We highlight the need to better understand the plant-microbial-mineral interactions that regulate bioavailable N as a first step to improving our ability to measure it. We conclude it will be necessary to harness agroecosystem complexity, account for plant and microbial drivers, and carefully integrate external N inputs into soils' internal N network to expand the routes by which N from organic pools can be made bioavailable. Finally, by emphasizing N in soil health concepts, we argue that researchers can accelerate advances in N use efficiency and resiliency.

60 APPLIED LIFE SCIENCES↗

Horizontal Splitter Design For FFA@CEBAF Energy Upgrade: Current Status

Thomas Jefferson National Accelerator Facility (Jefferson Lab) is currently studying the feasibility of an energy upgrade based upon Fixed-Field Alternating Gradient (FFA) permanent magnet technology. The current plan is to replace the highest-energy recirculation arcs with FFA arcs, increasing the total number of beam recirculations, thus the energy. In order to accommodate multiple passes in the FFA arcs, horizontal splitters are being designed to control the beam parameters entering the FFA arcs, as well as the time of flight and R_56. In the current design, six passes will recirculate through the FFA arcs, necessitating the design of six independent beamlines to control the optics and beam dynamics matching into the arcs. These beamlines must fit into the current CEBAF tunnel, while allowing for personnel and equipment access. They must also be flexible enough to accommodate the beam under realistic operational conditions and fluctuations. The constraints on the system are highly restrictive, complicating the design. This document will describe the current state of the design, and indicate the work remaining for a complete conceptual design.

Benesch, Jay↗

Abrupt permafrost thaw drives spatially heterogeneous soil moisture and carbon dioxide fluxes in upland tundra

Permafrost thaw causes the seasonally thawed active layer to deepen, causing the Arctic to shift toward carbon release as soil organic matter becomes susceptible to decomposition. Ground subsidence initiated by ice loss can cause these soils to collapse abruptly, rapidly shifting soil moisture as microtopography changes and also accelerating carbon and nutrient mobilization. The uncertainty of soil moisture trajectories during thaw makes it difficult to predict the role of abrupt thaw in suppressing or exacerbating carbon losses. Here, in this study, we investigated the role of shifting soil moisture conditions on carbon dioxide fluxes during a 13-year permafrost warming experiment that exhibited abrupt thaw. Warming deepened the active layer differentially across treatments, leading to variable rates of subsidence and formation of thermokarst depressions. In turn, differential subsidence caused a gradient of moisture conditions, with some plots becoming consistently inundated with water within thermokarst depressions and others exhibiting generally dry, but more variable soil moisture conditions outside of thermokarst depressions. Experimentally induced permafrost thaw initially drove increasing rates of growing season gross primary productivity (GPP), ecosystem respiration (R eco ), and net ecosystem exchange (NEE) (higher carbon uptake), but the formation of thermokarst depressions began to reverse this trend with a high level of spatial heterogeneity. Plots that subsided at the slowest rate stayed relatively dry and supported higher CO 2 fluxes throughout the 13-year experiment, while plots that subsided very rapidly into the center of a thermokarst feature became consistently wet and experienced a rapid decline in growing season GPP, R eco , and NEE (lower carbon uptake or carbon release). These findings indicate that Earth system models, which do not simulate subsidence and often predict drier active layer conditions, likely overestimate net growing season carbon uptake in abruptly thawing landscapes.

54 ENVIRONMENTAL SCIENCES↗