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At least 109 records · Page 6

Refining PeakDecoder Version 2

Novel computational tools for processing multidimensional mass spectrometry (MS) data are necessary to enable deeper and automated detection and quantification of metabolites in complex backgrounds. Multidimensional MS data includes measurements from liquid chromatography (LC) and ion mobility spectrometry (IM) separations, and precursor and fragment ion spectra collected in data-independent acquisition (DIA) mode. PeakDecoder is an artificial intelligence (AI)-based software that enables automated interpretation of this kind of data to identify and quantify individual metabolites in complex mixtures. The goal of this project was to improve and re-implement PeakDecoder in a better suited programming language to enable its commercialization.

97 MATHEMATICS AND COMPUTING

Refining NEAMS MARVEL Reactor Model Accuracy

This report outlines the progress of Idaho National Laboratory (INL) in improving the fidelity of the multiphysics model of the Microreactor Applications Research Validation and Evaluation (MARVEL) reactor developed in FY24. The multiphysics model firstly developed in FY24 leverages three single-physics models coupled via the MOOSE’s MultiApps and Transfer systems. The first single-physics model, that functions as the driver application, leverages Griffin to model the neutron transport in the core through the discontinuous finite element (DFEM) discrete ordinates solver (SN). The second single-physics model uses BISON to compute the solid temperature in the reactor. Finally, the System Analysis Module (SAM) was used to model the flow of the sodium-potassium eutectic in the primary loop. In this report we detail the following improvement and enhancements: • An updated mesh leveraging the latest feature in the reactor module (see Section 3.1.).

42 - ENGINEERING

Refining Methods to Determine the Isotopic Composition of Uranium Particles by Laser Ablation MC-ICP-MS

We report on efforts to mitigate the generation of isotopic anomalies during the ablation of micrometer-sized uranium oxide particles and analysis by MC-ICP-MS. The results of testing on particles of U200 indicate that laser fluence and frequency can affect isotopic data produced by laser ablation, but no settings were tested that could eradicate the signal spiking effect and generation of anomalous isotopic data for 234U/238U and 236U/238U. These anomalies are more frequent in samples with higher 235U enrichments, which is expected given their higher abundances of 234U and 236U. Of the standards tested here, only U005-A was anomaly-free. Efforts to compare the laser traces for particles with normal and anomalous isotopic compositions showed subtle differences in the behavior of the 234U/238U and 236U/238U ratios. However, it would be challenging to identify anomalous data points from a population of unknowns using this distinction, i.e., this is unlikely to be diagnostic. Thus, using current analytical hardware, we cannot eradicate the signal spiking phenomenon and cannot unambiguously identify isotopic anomalies from laser ablation traces. Ultimately, laser ablation ICP-MS would either require dramatic improvement to the ablation process and generation of more homogenous aerosols and/or improvements to detector electronics to identify and correct for the spiking phenomenon. Even if the reliability of the technique could be improved, a broader question to address is whether current data quality is of a high enough standard for laser ablation MC-ICP-MS to be used as a complementary technique to LG-SIMS for Safeguards.

organic

Development of a Test-Bed for Testing and Refining EarthEn’s Supercritical CO 2 Based Energy Storage System

EarthEn’s energy storage concept leverages supercritical carbon dioxide (sCO 2 ) as a working fluid and relies on compact, high-performance components operating at elevated pressures and temperatures. To accelerate component development and reduce technical risk prior to larger-scale demonstrations, Oak Ridge National Laboratory (ORNL) developed a 100 kW-scale sCO 2 test-bed under a Cooperative Research and Development Agreement with EarthEn (CRADA NO. NFE-24-10050). The objective of the work was to design and construct a flexible experimental facility capable of reproducing key thermodynamic state points and heat-transfer conditions relevant to EarthEn’s thermal energy storage (TES) cycle, with particular emphasis on enabling development and evaluation of next-generation heat exchangers and TES concepts. The test-bed consists of a closed-loop sCO 2 circulation system housed within an open-topped enclosure. In its as-installed configuration, dense-phase sCO 2 is recirculated through a printed circuit recuperator, an electrically heated section, a throttling device used to simulate turbine expansion, and a water-cooled printed circuit heat exchanger that rejects heat to the building chilled-water system before returning to the pump. The pump is driven by a variable frequency drive, enabling controlled adjustment of flow and operating point. A comprehensive instrumentation suite was integrated to support both safe operation and high-quality data collection. Installed sensors include Coriolis flow meters for sCO 2 flow rate and density, resistance temperature detectors and thermocouples distributed throughout the loop (including the heated section and key heat exchanger ports), and pressure transducers for absolute and differential pressure measurements. The facility was designed to support high-pressure (19 MPa nominal) and high-temperature (575°C nominal) operation with credited overpressure protection provided by a rupture disk. Nominal operating conditions were selected to support 100 kW-class testing while maintaining flexibility for non-heated and heated shakedown, control development, and future integration of advanced TES test sections. In parallel with facility development, a system-level thermal-hydraulic model was created using Modelica-based tools to support component sizing, anticipate performance over targeted test conditions, and establish a framework for future model calibration against experimental data. At the conclusion of the project performance period, the facility was in final assembly, and the pressure boundary was nearly completed. However, several practical challenges associated with high-pressure/high-temperature systems and specialized component procurement impacted schedule and prevented initial pump-driven operation and full commissioning within the available resources. This report documents the as-built design, operating capabilities, and instrumentation, and it summarizes key lessons learned related to heater fabrication and testing, first-of-a-kind assembly factors, specialty flange supply constraints, and fill pump corrective actions. Finally, it outlines a phased plan for future commissioning and experimental campaigns, including control and instrumentation shakedown, heater characterization, model calibration, and testing at state points representative of EarthEn’s TES cycle.

25 ENERGY STORAGE

Refining a Novel Process Monitoring Method to Safeguard Continuously Cycling Designs Using Isotopic Ratios

In advanced reactor (AR) designs, a common feature is continuous chemical processing and circulation of the nuclear material. This work bridges a significant measurement gap in safeguarding reactors with circulating fuel or continuous refueling by leveraging and building on the isotope ratio method first developed by our team under an FY21 Advanced Reactors International Safeguards Engagement (ARISE) project (Uribe et al. 2021). In circulating fuel designs, the radioisotope inventory changes from traditional effects (e.g., radioactive decay, fission) but also includes material transport due to pressure and temperature gradients. Such designs may also require regular or continuous additions or removals during operation, which significantly increases the rate of inventory change compared to traditional pressurized water reactor (PWR)s. Thus, directly tracking the nuclear inventory is ineffective since the isotopes are continuously added and removed. The isotope ratio method instead focuses on detecting changes to the input and output flows of radioisotopes. Previous work showed that for well-chosen pairs of isotopes, the isotopic ratio provides a sensitive and lasting indicator of deviation from normal conditions (e.g., startup, shutdown, diversion). The isotope ratio method is a process monitoring method with potential for application in for forward-looking approaches to International Atomic Energy Agency (IAEA) safeguards. The original process monitoring method was developed for a specific case—the decay tank of a thorium-fueled molten salt breeder reactor. In this expanded work, we explored other types of reactors and processes with nonstationary (e.g., flowing) nuclear material, which are difficult to safeguard with traditional methods because of the transient nature of the systems. The goal of the present work is to generalize the isotope ratio method for use in processes with continuously flowing nuclear material. All continuous processes have an average time for isotopes to be replaced in the system. The isotope ratio method works by choosing radioisotopes with half-lives both above and below the processing time. The present work seeks to explore which isotopes are suitable for the method by simulating the nuclear inventory, radioisotope emissions, and detector responses for several classes of advanced reactors. While the method can in principle be applied to other processes (e.g., enrichment or reprocessing facilities), the present work limits scope to ARs with continuously flowing fuel. Section 2 details the mathematics supporting the isotope ratio method, and Section 3 introduces the representative ARs selected for this work. Section 4 discusses how each reactor was analyzed, and Section 5 showcases the results for each representative reactor. Finally, Section 6 provides concluding remarks and suggests pathways for further analysis.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P

Refining Absorber Shroud Geometry to Maximize Power Output and Reduce Power Peaking in ATF Test Train

In the wake of the Fukushima Daiichi nuclear power plant accident in 2011, the accident tolerant fuels (ATF) program was initiated to enhance the safety of light-water reactor fuels, placing significant emphasis on cladding. A crucial step for the broad implementation of ATF in commercial reactors involves irradiation testing of the fuel designs. ATF-2D, the latest experiment in the ATF series, is slated to undergo irradiation in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL). ATF-2D is a joint effort of the INL with industry partners General Electric Global Research; Framatome; General Atomics; the Japan Atomic Energy Agency; Hitachi-GE Nuclear Energy, Ltd; Global Nuclear Fuel-Japan Co., Ltd; Nippon Nuclear Fuel Development Co., Ltd; and Mitsubishi Heavy Industries, Ltd. The ATF-2D test train design consists of four tiers, each housing six rodlets. The device will be inserted in Loop 2A within the central flux trap of the ATR, and is anticipated to undergo irradiation throughout three 60-day cycles. Typical pressurized water reactor conditions will be emulated during the irradiation. The objective of the work presented here is to dimension neutron-absorbing hafnium (Hf) components surrounding the fuel rodlets, such that the axial power profile is flattened, while simultaneously ensuring that the total fission power output of the entire test train remains below 200 kW.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Refining Absorber Shroud Geometry to Maximize Power Output and Reduce Power Peaking in ATF Test Train

In the wake of the Fukushima Daiichi nuclear power plant accident in 2011, the accident tolerant fuels (ATF) program was initiated to enhance the safety of light-water reactor fuels, placing significant emphasis on cladding. A crucial step for the broad implementation of ATF in commercial reactors involves irradiation testing of the fuel designs. ATF-2D, the latest experiment in the ATF series, is slated to undergo irradiation in the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL). ATF-2D is a joint effort of the INL with industry partners General Electric Global Research; Framatome; General Atomics; the Japan Atomic Energy Agency; Hitachi-GE Nuclear Energy, Ltd; Global Nuclear Fuel-Japan Co., Ltd; Nippon Nuclear Fuel Development Co., Ltd; and Mitsubishi Heavy Industries, Ltd. The ATF-2D test train design consists of four tiers, each housing six rodlets. The device will be inserted in Loop 2A within the central flux trap of the ATR, and is anticipated to undergo irradiation throughout three 60-day cycles. Typical pressurized water reactor conditions will be emulated during the irradiation. The objective of the work presented here is to dimension neutron-absorbing hafnium (Hf) components surrounding the fuel rodlets, such that the axial power profile is flattened, while simultaneously ensuring that the total fission power output of the entire test train remains below 200 kW.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Refinement and Modeling of a Blackbody-Based Calibration Method in the InfraBREAD Detector

The Broadband Reflector Experiment for Axion Detection (BREAD) is an ongoing collaboration searching for the conversion of yet undiscovered axion-like dark matter particles to photons in the presence of a magnetic field. InfraBREAD, an experiment of BREAD, uses a superconducting nanowire single photon detector (SNSPD), a high-efficiency and low-noise device, to specifically detect infrared-range photons produced by $\mathcal{O}$(eV) axion-like particles. The unique BREAD reflector setup allows for the focusing of converted signal photons to a 1mm $\times$ 1mm SNSPD. However, when the detector is cooled to cryogenic temperatures during operation, uneven thermal contraction of reflector components may lead to a small shift in the location of the focal spot. A novel calibration method using blackbody radiation is proposed to locate the true focal spot of the detector \textit{in situ}. Through ray tracing simulations done in FRED Optical Engineering Software, this method is demonstrated to locate the focus to within $\SI{50}{\micro\metre}$ in the $z$ dimension.

Rao, Shardul

Comparison of Results between the Legacy and Refined RELAP5-3D Models of the High Temperature Test Facility in Exercises 1 and 2 of the HTTF Benchmark

Work conducted in FY23 identified that RELAP5-3D was capable of reproducing trends in HTTF data during experiment PG-27 but was incapable of reproducing measured values. The primary cause of this discrepancy between RELAP5-3D results and experimental data was hypothesized to be a distortion in power density that was introduced by the radial nodalization of the model. We further hypothesized that a new model would provide better results when compared to the experiments PG-27 and PG-29. Work this FY developed a new model that is better capable of capturing local heat generation rates and contains a representation of each 1/6 azimuthal sector of the core. We used this model to develop a new set of solutions to Exercises 1 and 2 of Problems 2 and 3 in the benchmark. In this report, we present the first comprehensive comparison of the results between the two models. We see that in Exercise 1A, which is common between problems 2 and 3, the results are similar, though the results from the new model show greater detail than those from the legacy model. In Problem 2 Exercise 1B and Problem 3 Exercise 1B, we see that heat removal is slower in the new model than the legacy model. Problem 3 Exercise 1C shows temperatures that are lower in most places in the new model than the legacy model, but the area with active heat generation has higher block temperatures in the new model than the legacy model. Problem 3 Exercise 1D further shows that long-term heat removal is lower in the new model. Problem 2 Exercise 1C demonstrated that the new model observes higher temperatures in the core regions than the legacy model, justifying the need to preserve the power density in HTTF. The validation of PG-27 and PG-29 also demonstrated the improved temperature agreement in the core regions, particularly with a calibrated model that implements an effective thermal conductivity for the core material. Overall, PG-27 models show reasonable to excellent agreement for steady-state temperatures and minimal to reasonable agreement for transients. PG-29 models showed minimal to insufficient agreement with the data.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Uncertainty-refined image segmentation under domain shift

Digital image segmentation is provided. The method comprises training a neural network for image segmentation with a labeled training dataset from a first domain, wherein a subset of nodes in the neural net are dropped out during training. The neural network receives image data from a second, different domain. A vector of N values that sum to 1 is calculated for each image element, wherein each value represents an image segmentation class. A label is assigned to each image element according to the class with the highest value in the vector. Multiple inferences are performed with active dropout layers for each image element, and an uncertainty value is generated for each image element. Uncertainty is resolved according to expected characteristics. The label of any image element with an uncertainty above a threshold is replaced with a new label corresponding to a segmentation class based on domain knowledge.

Martinez, Carianne

A Refined BISON-Griffin Workflow For Designing Targeted TRISO Transient Experiments In The Transient Reactor Test Facility

U.S. industry is expected to deploy tristructural isotropic (TRISO) particle fuel technologies for commercial reactors within the next decade. In our previous work, we defined a preliminary transient design space for TRISO fuels, identified potential gaps in the available data, and began to develop multiphysics modeling tools that could be applied to design targeted Transient Reactor Test Facility (TREAT) experiments to fill these gaps. This work builds on that foundation by (1) updating BISON fuel performance and Griffin reactor physics models to reflect the current TREAT experiment tube and capsule designs,(2) coupling the codes to improve the accuracy and usability of the transient design analyses, and (3) demonstrating their use over an expanded design space that includes fuel burnup. The simulated mechanical responses of the TRISO particles were complex functions of fission product accumulation, fission gas release, and irradiation-induced dimensional change in the pyrolytic carbon layers. Predicted tangential stresses in particle silicon carbide layers were least compressive for preheated tests involving fresh fuels but remained compressive throughout the ranges of temperature, heat rate, and burnup considered in this work. Finally, comparisons between the potential TREAT transients and historical test reactor irradiations showed that the TREAT tests would produce significantly lower average energy deposition rates, yielding less severe transients with greater relevance to near-term commercial applications. Use of these predictive capabilities has the potential to increase the value of each test, improving the overall efficiency and cost effectiveness of transient testing for TRISO and other advanced fuels.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Higher-order space-charge stability in anisotropic beams: Vlasov-Poisson derivation, refined dispersion relations, and stability charts

The Hofmann stability chart is used to screen working points in space-charge-dominated linacs. We identify two errors in its published higher-order dispersion relations: missing $(1\mp2\hatη^2/α)$ factors in the third-order $S^4$ coupling residues, and a sign error in the stated isotropic reduction of the fourth-order relation. Both corrections follow from Hofmann's Vlasov-Poisson equations without fitted parameters. They reproduce coherent tune-shift coefficients in the author's later monograph that the printed forms miss by 24% and 127%. Mode-resolved figures from a published application agree with the corrected relations and reject the printed forms, indicating an inconsistency between the 1998 equations and the calculations underlying those tested figures. We quantify the effect on the non-oscillatory stability chart. Inside the adopted $S^2\le10$ comparison domain, printed and corrected forms disagree on 0.73-2.11% of cells, with no preferred direction. Among excluded cells, disagreement reaches 22%, and the printed relation over-predicts instability at every sampled anisotropy. This concentration may help explain why the errors persisted, although it does not establish their historical cause. For PIP-II, the corrected chart flags four of thirty-two evaluable periods, including one on a third-order odd branch missed by a second-order screen. This count covers non-oscillatory modes only and remains conditional on an unresolved factor-five disagreement between two codes on transverse emittance growth.

Pathak, Abhishek [Fermilab] (ORCID:000000021704208