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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Niowave Neutron Source Converter: Lead-Bismuth-Eutectic (LBE) Windowless Target Design and Evaluation

Los Alamos National Laboratory (LANL) is working with Niowave on the design and evaluation of their lead-bismuth-eutectic (LBE) windowless target (i.e., neutron source converter). Niowave plans to use 200 kW electron beam at 40 MeV beam energy to produce neutrons by photonuclear reaction with LBE. Then, the neutrons undergo fission at the surrounding uranium target assembly (UTA) to produce Molybdenum 99 (Mo-99) as a fission product, which eventually decays to Technetium-99 (Tc-99m). Tc-99m is one of important radioisotopes that is used for medical diagnostics. LANL conducted 3D multiphysics analysis for the Niowave neutron converter design and provided design assessment in thermohydraulic aspects. LANL conducted radiation transport calculations using Monte-Carlo N-Particle (MCNP) code with unstructured meshing scheme. The 3D volumetric heating profiles in the LBE and Stainless-Steel (SS) housing were imported into multiphase computational fluid dynamics (CFD) to obtain 3D temperature profiles of LBE and SS through conjugate heat transfer (CHT) analysis. The key findings are: LBE film thickness at the center of the beam is approximately 1.6 cm with a maximum LBE velocity of approximately 1.8 m/s, which is below a 2 m/s limit to avoid erosion issues on supporting structures; Heat deposition in the LBE peaks at ~1 cm depth from the LBE free-surface because of the forward interactions of electron, photon, and neutron with LBE; LBE maximum temperature is ~360 °C, which is below LBE evaporation initiative temperature, ~450 °C; LBE-SS interface temperature is ~350 °C, which is below the safety thermal limit to prevent severe corrosion on SS. The results indicate that Niowave’s neutron converter design satisfies both hydraulic and thermal criteria for safe operation. By virtue of such computational analysis, Niowave can move toward establishing an experimental setup to experimentally test their LBE neutron converter. The following sections describe the detailed work done by LANL.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Decay Dose Shielding Analysis with Hybrid Unstructured Mesh/Constructive Solid Geometry Monte Carlo Calculation and ADVANTG Acceleration

Here, the target segments of the Oak Ridge National Laboratory Second Target Station (STS) neutron production facility become highly activated due to spallation reactions or nuclei transmutation by primary protons and emitted neutrons. Once the target segments are removed from their location within the core vessel, decay dose rates must be accurately quantified to determine the shielding configurations of remote-handling tools and transport casks and to aid in planning maintenance activities. For this analysis, we utilized a hybrid unstructured mesh (UM)/constructive solid geometry approach for calculating spallation products and neutron fluxes, activation calculations using the AARE package that includes the CINDER2008 activation code to calculate the decay photon source at different cooling times, and the ADVANTG code to accelerate the final decay photon transport calculation. Both Type 316 stainless steel (SS-316) and lead were investigated as candidates for shielding materials. The decay photon transport calculation through the thick SS-316 or lead shields exhibited between 25 and 30 orders-of-magnitude attenuations in the radial direction, depending on the shield. Such a difficult shielding calculation required advanced variance reduction. ADVANTG has some missing features, which limits its usability in spallation neutron source applications. It does not support volumetric sources created for MCNP6.2 UM capability. An approximate source was created for this problem. Not only was this approximate source needed for running the ADVANTG calculation to generate the weight windows, but also it was essential to develop source biasing (SB) parameters that were crucial for dramatically accelerating the decay photon transport in this problem. With this approximate source, the analysis was completed in a very reasonable computational time, and the design of the STS remote-handling equipment was finalized. This paper compares the efficiency of Monte Carlo simulations with different weight window and SB parameters calculated using different approximate ADVANTG calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Probing drift velocity dispersion in MAPbI 3 photovoltaic cells with nonlinear photocurrent spectroscopy

Conventional time-of-flight (TOF) measurements yield charge carrier mobilities in photovoltaic cells with time resolution limited by the RC time constant of the device, which is on the order of 0.1–1 µs for the systems targeted in the present work. We have recently developed an alternate TOF method, termed nonlinear photocurrent spectroscopy (NLPC), in which carrier drift velocities are determined with picosecond time resolution by applying a pair of laser pulses to a device with an experimentally controlled delay time. In this technique, carriers photoexcited by the first laser pulse are “probed” by way of recombination processes involving carriers associated with the second laser pulse. Here, we report NLPC measurements conducted with a simplified experimental apparatus in which synchronized 40 ps diode lasers enable delay times up to 100 µs at 5 kHz repetition rates. Carrier mobilities of ∼0.025 cm 2 /V/s are determined for MAPbI 3 photovoltaic cells with active layer thicknesses of 240 and 460 nm using this instrument. Here, our experiments and model calculations suggest that the nonlinear response of the photocurrent weakens as the carrier densities photoexcited by the first laser pulse trap and broaden while traversing the active layer of a device. Based on this aspect of the signal generation mechanism, experiments conducted with co-propagating and counter-propagating laser beam geometries are leveraged to determine a 60 nm length scale of drift velocity dispersion in MAPbI 3 films. Contributions from localized states induced by thermal fluctuations are consistent with drift velocity dispersion on this length scale.

14 SOLAR ENERGY↗
DOE OSTI2025

A TOpographic Mapping (ATOM) Method to Design Magnetic Cores

Wireless power transfer offers safe, convenient, and efficient way of charging electric vehicles. Ongoing research is targeting wireless charging pad design optimization; designing the magnetic component is the most important part of the coupler design because the magnetic part determines the coupling factor and efficiency. Optimizing the coil layout and geometry as well as ferrite design requires finite elements analysis based modeling and simulation for minimized core losses, maximized magnetic coupling, and minimized material use for cost-effectiveness. Although parametric finite element analysis or emerging artificial intelligence methods can generate very accurate results, simulation times are extremely long. To address this issue, this study proposes a simple, effective core design called A TOpographic Mapping (ATOM). The proposed design is based on the design of magnetic core by using the magnetic flux distribution. The thickness of the core increases with increasing magnetic flux density, forming a variable thickness core design with less material and minimized core losses compared to conventional designs. A superimposing method is used to create an optimal design for a rotational magnetic field-based system. According to simulation results, the ATOM design reduces the required material volume by 13.19% and yields the lowest core loss and highest mutual inductance compared to other designs. In addition, misalignment, electromagnetic interference, and thermal performance were evaluated for the proposed design.

Aydin, Emrullah [Oak Ridge National Laboratory (OR↗
DOE OSTI2026

Development of Advanced, Radiation Resistant, Optical-based Detector Technology for Future Experiments.

The primary objective of this project has been to advance the design of high-performance electromagnetic (EM) calorimeters for future particle physics experiments, to identify and measure the timing, position and energy of electrons, positrons and gamma rays, particularly in high-luminosity environments with intense radiation and pileup conditions. To meet such challenges, the proposed research has focused on the development of ultra-compact, radiation-hard calorimeter modules, to provide excellent timing, spatial, and energy resolution. The work aligns with the DOE’s Basic Research Needs (BRN) for High Energy Physics (HEP) Instrumentation and the research team contributes actively to the Coordinating Panel on Advanced Detectors (CPAD) RDC9 calorimetry collaboration in the USA and the European Committee on Future Accelerators (ECFA) DRD-CALO calorimetry collaboration at CERN, the European Laboratory for Particle Physics located in Geneva, Switzerland. The research builds on the RADiCAL (radiation-hard, ultra-compact) modular sampling calorimeter approach, developed by the research team, which employs dense and very bright optical materials such as LYSO:Ce scintillator plates that are interleaved with very dense tungsten plates to minimize detector size while optimizing performance. The modules are comparable in size to a human index finger, dimensionally 14 mm x 14 mm in cross section and 135 mm in length. And despite the small size, the structure is capable of providing excellent timing and energy resolution. This is facilitated through the use of specialized quartz capillaries filled with wavelength-shifting filaments, positioned at various depths along the length of a module, to collect and guide light signals to silicon photomultipliers (SiPMs) which detect and convert the optical signals to electronic signals for analysis. The primary goals of this project have been: (1) Achieve a timing resolution to σ t ≤ 30 ps for high-energy electrons and photons, important for their association with specific events produced in colliding-beam experiments and for the detection of decays-in-flight of long-lived particles. The project has achieved this goal in beam tests of a single RADiCAL module at CERN, during which a timing resolution of σ t = 27 ps was measured for electrons of energy E = 150 GeV. Based upon a mathematical fit to the data measured over a broad energy range from low energy to high energy, a resolution of σ t ≤ 18 ps has been estimated for electrons of very high (TeV) energy. From these measurements and with further expected technical improvements, the timing resolution should reach σ t ≤ 10 ps, important for searches for discovery physics in upcoming and future experiments. (2) Achieve an energy resolution of σ E / E ≤ 10% / $\sqrt{E}$. The project has yet to achieve this goal, but is close to it, having measured a value of σ E / E ≤ 15.9% / $\sqrt{E}$ using a modular array. Ultimately, the resolution goal is expected to be reached by adjustments to material thicknesses within the modules, which will improve the sampling fraction to measure more precisely the shower energy for lower energy particles. The versatility of the modular RADiCAL approach enables the testing of advanced materials, photosensors and electronics, developed in collaboration with CPAD RDC and ECFA DRD-CALO groups. The structure can distinguish electrons, positrons and gamma rays from hadrons and muons and beam-induced backgrounds, making it a valuable tool in a variety of detector environments, including future circular colliders (FCC-ee, FCC-hh) proposed for the European Laboratory for Particle Physics (CERN), the muon-collider proposed for Fermi National Accelerator Laboratory (Fermilab), and searches for new physics in beam-dump, fixed target and forward-physics experiments. And, while designed with particle physics applications in mind, the technologies developed in this project have the potential for application more broadly in particle and nuclear physics, materials science, and medical physics, underscoring the far-reaching potential of this line of instrumentation research and development.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Interpenetration and kinetic effects in converging, high-energy plasma jets

In this work, we report on numerical simulations of laser-driven convergent plasma fusion targets. These “inverted corona” fusion targets are useful for the study of counter-streaming and converging rarefied plasma flows, and previous experiments have demonstrated their potential as neutron sources. The scheme consists of a fuel layer lined along the interior surface of a hollow plastic shell that is laser-ablated and expands inward towards the target center. The plasma streams generated in these targets are initially nearly collisionless as they converge, leading to wide interaction length scales and long interaction time scales as the jets interpenetrate. Such kinetic effects impact mixing of constituent ions - a phenomenon not properly captured by single-fluid hydrodynamic simulations. Here we conduct numerical simulations using two different methods: (1) single-fluid simulations in HYDRA, and (2) kinetic-ion, fluid-electron hybrid particle-in-cell (PIC) simulations in the code Chicago. It is shown that the initially nearly collisionless plasma fronts interpenetrate deeply and lead to broader interaction regions in space and time resulting in significant beam-beam fusion. The two approaches make different, testable predictions for the effect of fuel-layer thickness on neutron yield.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Fundamental problems in astroparticle physics and cosmology (Final Technical Report)

In the standard cosmological model, structure forms when gas cools and condenses to the center of dark matter halos. The onset of structure is governed by rapid star formation and subsequent evolution of the first massive stars. One of the endpoints of stellar evolution is the formation of a black hole. We showed that all black hole merger events must occur after the universe is about 85 million years old. This prediction is important because it means that if a future experiment makes a detection of a black hole merger event at an earlier time then our understanding of cosmology and the onset of structure formation is not fully developed. In addition, we explored dark matter models that have either self-interactions or experience decays. In the first case, self-interactions may lead to the formation of a thick disk that can be co-planar to the Galactic disc due to correlations in angular momentum between dark matter and baryons that are predicted by tidal torque theory. We showed that for heavy dark matter particles, either the self interaction may not be strong enough to solve the small scale structure motivation or a dark disc cannot be present in the Milky Way. In the second-case, we showed that if dark matter experiences decays into two particles, one of which behaves like radiation, then it is possible to relieve the tension that exists between measurements of the local expansion rate. Finally, we developed methods on how to distinguish gamma-ray excesses from promising dark matter targets as compared to conventional astrophysical sources. This is an important toolset that is applicable to any suspected dark matter source.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Development of a Novel Magnesium Alloy for Thixomolding® of Automotive Components (Final Report)

Magnesium (Mg) alloy die-castings are increasingly used in the automobile industry to achieve cost effective mass reduction, especially in systems where multiple components can be integrated into a single thin wall die-casting. However, there are several component quality restrictions in thin-walled Mg die castings, including variability in dimensional accuracy, part-to-part variation in mechanical properties, and porosity in the final part, which has limited the continued growth of die-cast components in the automobile industry. An alternative to die-casting is the process of thixomolding®. While the die-casting process relies on filling a mold at high speeds with the alloy in the completely molten state, the thixomolding® process fills a mold with a thixotropic alloy in a semi-solid slurry state at a temperature between the liquidus and solidus temperatures. Ideally, the material should be ~30–65% solid rather than being completely liquid at the beginning of the injection process. Advantages of the thixomolding® process include a finer grain structure, lower porosity, improved dimensional accuracy, improved part-to part consistency, improved mechanical properties, particularly ductility in the component, the ability to reduce wall thickness for mass savings, and longer tool life due to lower process temperatures. The objective of this collaborative project between Oak Ridge National Laboratory, FCA US LLC, and Leggera Technologies was to develop one or more novel Mg alloys more suitable for thixomolding® automotive structural components than the current die-casting alloys used for this process. The primary interest was to improve ductility while maintaining tensile and fatigue strengths, as these are properties that are critical for use in body and chassis structural applications. Since good corrosion resistance is also desirable for this application, this property was also considered when evaluating promising alloy compositions. An initial evaluation of existing components thixomolded® using AM60 was performed and microstructure, and tensile properties were evaluated for the baseline alloy. Targets were established for ease of processing (characterized by the melting range defined as the difference between the liquidus and the solidus), strength, and ductility. Computational modeling was used to identify promising alloys and selected alloys were cast in laboratory scale heats. Properties measured from laboratory scale heats were used to down-select two alloys for further evaluation and component fabrication. Two alloys were prepared in industrial scale heats, cut into small pieces (chips), and thixomolding® trials were initiated. Trial components were successfully fabricated using one alloy composition, but it was concluded that further refinement of the thixomolding® process parameters are required to successfully fabricate component using second alloy. Microstructure and mechanical properties were evaluated on the material removed from the fabricated component and properties were compared to the baseline alloy. Although mechanical properties of the alloys showed improvement over the baseline alloy, it was determined that modifications to the thixomolding® process would result in better microstructure control with further improvement in properties leading to successful commercialization. A provisional patent application has already been filed on the new alloys developed as part of the project.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sub-GeV dark matter and neutrino searches with Skipper-CCDs: status and prospects

Thick fully-depleted charge-coupled devices (CCDs) with high-resistivity silicon are used in a wide range of scientific applications, from particle detection to astronomical imaging. Their low noise and high charge collection efficiency allow us to reach unprecedented sensitivity to physical processes with low-energy transfers. The newly-developed Skipper-CCD enhances this sensitivity by reducing the read-out noise reaching a sub-electron resolution. In this work, we summarize the fundamentals of the skipper-CCD operation and the prospects for both sub-GeV dark-matter searches and the detection of coherent elastic neutrino-nucleus scattering. A brief discussion of the challenges associated with the construction of the foreseen detectors with multi-kilogram target mass is also presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Energy Exascale Earth System Model v2.0.2

Second patch release of v2.0.0 Changes since v2.0.1 [Important change] Add and update SSP370 and SSP585 cases, add tests, fix use-case files, Change ocean and sea-ice IC for ARRM60to10. [EAM] allow thetaxx as a CAM_TARGET, enable northamericax4v1pg2_WC14to60E2r3 for AMIP, fix ndrop initialization, allow up to 15 history files. [EAMxx] allow use of readnl [EAM-MMF] allow transient SST case for C++ MMF, remove specific task/thread count for ESMT test, modify the variance transport diagnostic, reorg tests, [HOMME] Allow optional sponge layer. [ELM] add 2 land-atm compsets, update FATES to API 17.0.0, allow FATES sp mode, allow ELM harvest to drive FATES harvest, fix memleaks, reduce test build times, modified parameters for miscanthus and switchgrass based on calibration [MPAS-Ocean] turn on ocean BGC in BGC cases, fix interface locations for 60L PHC grid, add mode spec to conservation check streams, allow oRRS18to6v3 grid to run with JRA, update ocean and sea ice ICs for ARRM60to10 (needed for v2), GPU port of thickness tendency, add CMPASO-JRA1p4, [MPAS framework] Add new reproducible global sum module for MPAS components, Add mostRecentAccessTime attribute to streams [MPAS-landice] Update MALI version and Greenland mesh [MPAS-seaice] add single-cell test case, fix BGC restart, Adds omp critical directives for ice warnings seen on cori. [CIME] Fix component namelist creation bugs when NINST>1, add OpenACC, OpenMP and CXX GPU tests, fix nonBFB tests, stop using config_compilers, reduce ELM test build times with shared executable, update OpenMPI on Chrysalis. fix baseline handling, provenance handling with update to cime6.0.33, also use component-specific config_pes files and add the ones from master [Machine updates] cori modules after maint, Chrysalis to OpenMPI-4.1.3 [run_e3sm] replace default case name and group. [Externals] update SCORPIO to 1.3.2

ECP↗
DOE OSTI2021

Injection data analysis using material balance time for CO 2 storage capacity estimation in deep closed saline aquifers

Estimating the ultimate storage capacity of deep saline aquifers is important to address the formation potential to store the envisioned large volumes of CO 2 . Injection data (i.e. injection rate, bottomhole pressure, and cumulative injected volume of CO 2 ) are routinely recorded during storage operations. These data contain valuable information on the subsurface (e.g. the reservoir pore volume and the formation storage capacity) that can be extracted. In this paper, we present a two-step graphical technique to infer the pore volume and the ultimate storage capacity of closed saline aquifers by analyzing the available injection data. First, the pore volume is inferred through adapting the concept of the material balance time. Material balance time is an approximate superposition time function developed to interpret production data from oil and gas wells operating at variable pressure/rate conditions during the boundary-dominated flow period. Using material balance techniques, the ultimate storage capacity is then estimated through linear extrapolation of the average pressure trend to the maximum allowable pressure the formation can withstand. The average pressure is not available in practice, but is can be obtained from the injection data. Two approaches are presented in this study to calculate the average pressure; namely the rigorous and the approximate approaches. Unlike the rigorous approach, the approximate approach does not require a prior knowledge of some reservoir properties (e.g. relative permeability, absolute permeability, formation porosity and thickness) to calculate the average pressure. To investigate its potential and reliability in analyzing CO 2 injection data, the proposed technique is applied to four synthetic cases representing different well operating conditions. Results indicate that the approximate approach consistently overestimates the actual (simulated) storage capacity as compared to the rigorous approach. The agreement - between the inferred and the simulated reservoir pore volume, and between the analytical and numerical estimates of storage capacity - validates the potential application of the technique to CO 2 storage in closed saline aquifers. The technique is further substantiated through application to a field data set utilized from a commercial-scale geological storage (CGS) project. Finally, field data interpretation shows that the proposed technique can be utilized to identify the degree of hydraulic continuity and reservoir compartmentalization within a target formation by interpreting the corresponding pressure and rate responses.

02 PETROLEUM↗
DOE OSTI2021

Rossi-alpha Analysis of CURIE Experiment

Critical assembly measurement and operations are crucial to the development of benchmark data to support research into criticality safety, radiation-detection development, and the overall application of nuclear technologies. Accurate nuclear data are needed for accurate predictive simulations, and validation using critical experiments is an important part of the nuclear data pipeline. The accuracy of nuclear data are improved using more robust and targeted measurements. In particular, the intermediate energy range of uranium is of great interest. LANL has successfully performed the Zeus series of experiments on the Comet assembly to investigate the intermediate energy range for HEU with various moderators. A successor to these experiments is the benchmark for the Critical Unresolved Region Integral Experiment (CURIE), designed to be sensitive to the unresolved resonance region (URR). This experiment is designed using polytetrafluoroethylene, more commonly known as Teflon, moderators. The CURIE experiment was successfully conducted at the National Criticality Experiments Research Center (NCERC). The Rossi-alpha method was used to evaluate the propensity of the CURIE configurations to sustain fission chains by estimating the prompt neutron decay constant α. This work evaluates the α at delayed critical using Rossi-alpha for different Teflon moderator thicknesses in the CURIE experiment. These results will help improve understanding of the CURIE benchmark experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Perspectives on the relationship between materials chemistry and roll-to-roll electrode manufacturing for high-energy lithium-ion batteries

As lithium-ion battery (LIB) active material and cell manufacturing costs continue to drop with wider adoption of electric vehicles, electrode and cell processing costs remain too high in terms of reaching the ultimate U.S. Department of Energy (DOE) cell cost target of $80/kWh. This paper primarily covers major materials chemistry advancements made over the last 10 years at Oak Ridge National Laboratory (ORNL) in the space of advanced manufacturing science for LIBs with the aim of simultaneously meeting the ultimate cost target, 500 Wh/kg gravimetric energy density, 10-15-min fast charge times, and 1000 deep discharge cycles. Aqeous electrode processing with a variety of active anode and cathode materials is now a standard procedure at the DOE Battery Manufacturing R&D Facility at ORNL (BMF), including the latest processes developed for Ni-rich cathodes. New results on cobalt-free LiNi 0.8 Fe 0.1 Al 0.1 O 2 (NFA 811) are also included and discussed in an electrode processing advantage context. In addition, colloidal processing advancements have been made for Si/C composite anodes for achieving >600 mA h/g capacities. Optimization of electrode coating parameters and drying protocols have been completed, which has elucidated how key processing variables need to be changed when parameters such as slurry solids loading, solvent type, and wet electrode thickness are changed. ORNL has also increased the line speeds at which thick cathodes can be processed using ultra-fast electron beam (EB) curing and substantially decreased formation cycling times to <1 day. Finally, key details of these advancements are discussed in the context of materials chemistry and process-property-performance relationships.

25 ENERGY STORAGE↗
DOE OSTI2024

Mechanisms of a novel regulatory light chain–dependent cardiac myosin inhibitor

Hypertrophic cardiomyopathy (HCM) is a genetic disease of the heart characterized by thickening of the left ventricle (LV), hypercontractility, and impaired relaxation. HCM is caused primarily by heritable mutations in sarcomeric proteins, such as β myosin heavy chain. Until recently, medications in clinical use for HCM did not directly target the underlying contractile changes in the sarcomere. Here, we investigate a novel small molecule, RLC-1, identified in a bovine cardiac myofibril high-throughput screen. RLC-1 is highly dependent on the presence of a regulatory light chain to bind to cardiac myosin and modulate its ATPase activity. In demembranated rat LV trabeculae, RLC-1 decreased maximal Ca2+-activated force and Ca2+ sensitivity of force, while it increased the submaximal rate constant for tension redevelopment. In myofibrils isolated from rat LV, both maximal and submaximal Ca2+-activated force are reduced by nearly 50%. Additionally, the fast and slow phases of relaxation were approximately twice as fast as DMSO controls, and the duration of the slow phase was shorter. Structurally, x-ray diffraction studies showed that RLC-1 moved myosin heads away from the thick filament backbone and decreased the order of myosin heads, which is different from other myosin inhibitors. In intact trabeculae and isolated cardiomyocytes, RLC-1 treatment resulted in decreased peak twitch magnitude and faster activation and relaxation kinetics. In conclusion, RLC-1 accelerated kinetics and decreased force production in the demembranated tissue, intact tissue, and intact whole cells, resulting in a smaller cardiac twitch, which could improve the underlying contractile changes associated with HCM.

Physiology↗
DOE OSTI2025

Lithium Divertor Targets and Walls for the ASTER Liquid Stellarator Reactor, Distributed Divertor

Stellarators may have advantages for certain liquid metal options as Plasma Facing Components (PFC) for divertor targets and first walls due to the wide range of possible magnetic configurations, which additionally are free of disruptions and fast field variations. In a previous work (V. Queral et al., IEEE Trans. Plasma Sci. 52, 2024), a concept of stellarator reactor (ASTER-CP) based on swirling Li-molten salts and liquid lithium floating on the molten salt as PFC was presented. The divertor matters were not studied then and, thus, they are being studied and experimentally tested now. The ASTER-CP reactor concept, the initial liquid metal experiments and potential concepts for the ASTER-CP divertor and first wall are reported. Concerning the experiments, several small scale experiments of galinstan in a small rotating cylinder under magnetic field have been produced, including one experiment with high viscosity galinstan-mixture for increased thickness of layer. An experiment of floating lithium on the molten salt LiCl-PbCl2 gave fast volatilization/decomposition of the molten salt. Particularly for divertors, the traditional free-flow, Capillary Porous Systems and ‘divertorlets’ have been studied for application to ASTER-CP. Surface waves (hot spots), lack of enough surface fluid turbulence and excessive fluid speed are the main issues found in fast free-flow. The perhaps original concept of Distributed Divertor and Equi-power Surface is tentatively proposed and studied, taking advantage of stellarator fields and low recycling regime.

distributed divertor↗
DOE OSTI2023

Machine-Learning-aided Approach for Predicting the Thermal Expansion Behaviors in Advanced Test Reactor Capsules (NURETH-20 full paper)

Instrumented experiments at test reactors are essential to deploying new advanced reactor systems. Designing new experiments and generating data on specific conditions require both time and cost investment. A high-fidelity model of the experiment environment can be created using finite element analysis software to support the actual experiments, but computation time is still a concern in applying outcomes to real-time usage (e.g., a digital twin). This research proposes a machine-learning-aided approach to temperature and displacement predictions, based on the thickness of the outer gas gap on the experimental capsule used for the in-pile demonstration of a novel thermal conductivity probe in the Advanced Test Reactor. The capsule consisted of U10Zr fuel, a rodlet, sodium, and inner and outer capsules. There were gas gaps between the fuel and rodlet and between the inner and outer capsule. The learning data consisted of an experimental capsule’s radial distributions of temperature and displacement, as obtained from Abaqus and the physical features. For the first step, temperature was predicted using three positional parameters. Then the displacement was predicted using six different positional parameters. Each physical feature was normalized to be both nondimensional and standardized. The temperature and displacement predictions showed good agreement in all cases involving interpolation and extrapolation. Also, data similarity enhancement increased the similarity between training and target data increasing the predictive accuracy of machine-learning models. In some cases of extrapolation, the accuracy of the machine-learning model showed limited performance, but still data similarity enhancement improved the accuracy.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Advanced Method Optimization for Sampling and Analysis Instrumentation

This work presents a generalized approach for analytical method optimization that branches the gap between techniques historically employed and accurate modern optimization techniques suitable for various applications. The novelty of the described strategy is the utilization of multivariate, multiobjective optimization with Karush-Kuhn-Tucker conditions to bound the optimization space to solutions within the physical limitations of instrumentation. Briefly, the basic steps outlined in this paper are to (1) determine the objective(s) that should be maximized or minimized based on the goals of the analytical application, (2) conduct a screening experiment, (3) perform ANOVA to determine the parameters which have a statistically significant effect on the objective, (4) conduct an experiment (e.g., Box-Behnken design) to collect data for fitting the objective equation, and (5) determine the physical constraints of the parameters and solve the Lagrangian to determine the optimal method parameters. A broad approach to optimization target selection allows for robust method tuning to develop improved data sets amenable for chemometrics and machine learning algorithm development. Gas chromatography-mass spectrometry was selected as a use case due to its broad use across scientific fields and time-consuming method development involving numerous parameters. In conclusion, this strategy can reduce the cost of research, improve data quality, and enable the rapid development of new analytical technique.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Nanoscopic Titanium Dioxide Overlayers Improve the Durability of Porphyrin Molecular Electrocatalysts while Maintaining Molecular Structure and Redox Activity

Molecular catalysts, such as metalated porphyrins, are attractive cocatalysts for photocatalytic water splitting owing to their potential to simultaneously catalyze target reactions at their metal center, extend charge-separated-state lifetimes, and accumulate the requisite charge for product formation. However, porphyrin catalysts, like most molecular catalysts, are often limited by poor stability associated with demetalation, inactivation by undesired bonding (e.g., O2 coordination/redox/dimerization), and detachment from electrode supports or semiconducting photoabsorbers. In this study, nanoscopic titanium dioxide (TiO2) overlayers, deposited by atomic layer deposition (ALD), are demonstrated to encapsulate cobalt(III) meso-tetra(4-carboxyphenyl) porphyrin chloride (CoTCPP) molecular catalysts and thereby improve their adhesion to electrode surfaces over a wide range of electrode potentials spanning from -1.0 V vs RHE to +1.8 V vs RHE. Through analysis of Raman and ultraviolet-visible spectroscopy, it was confirmed that the metalloporphyrin structure was maintained when the surface-bound CoTCPP was encapsulated by 10 - 250 ALD cycles (~2 - 18 nm thick) of TiO2. Additional characterization of CoTCPP catalysts before and after electrochemical measurements reveals that up to 97% of the encapsulated CoTCPP remains tethered to the electrode surface after chronoamperometry tests under hydrogen evolution reaction (HER) conditions, compared to <36% for unencapsulated CoTCPP. This study also shows that encapsulated CoTCPP molecules remain partially redox active for overlayers up to 8 nm, which can also attenuate undesired redox mediator back reactions like ferricyanide reduction.

08 HYDROGEN↗