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At least 163 records · Page 9

Sub-pixel high-resolution imaging of high-energy x-rays inspired by sub-wavelength optical imaging

We have developed and demonstrated an image super-resolution method—XR-UNLOC: X-Ray UNsupervised particle LOCalization—for hard x-rays measured with fast-frame-rate detectors that is an adaptation of the principle of photo-activated localization microscopy (PALM) and stochastic optical reconstruction microscopy (STORM), which enabled biological fluorescence imaging at sub-optical-wavelength scales. We demonstrate the approach on experimental coherent Bragg diffraction data measured with 52 keV x-rays from a nanocrystalline sample. From this sample, we resolve the fine fringe detail of a high-energy x-ray Bragg coherent diffraction pattern to an upsampling factor of 16 of the native pixel pitch of 30 μ m of a charge-integrating fastCCD detector. This was accomplished by analysis of individual photon locations in a series of “nearly-dark” instances of the diffraction pattern that each contain only a handful of photons. Central to our approach was the adaptation of the UNLOC photon fitting routine for PALM/STORM to the hard x-ray regime to handle much smaller point spread functions, which required a different statistical test for photon detection and for sub-pixel localization. A comparison to a photon-localization strategy used in the x-ray community (“droplet analysis”) showed that XR-UNLOC provides significant improvement in super-resolution. We also developed a metric by which to estimate the limit of reliable upsampling with XR-UNLOC under a given set of experimental conditions in terms of the signal-to-noise ratio of a photon detection event and the size of the point spread function for guiding future x-ray experiments in many disciplines where detector pixelation limits must be overcome.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measures of illuminant-induced metameric mismatch: theory, comparative analysis, and implications for application

Illuminant-induced metameric mismatch is an important consideration in the specification of light sources for some architectural environments, yet there is currently no standardized performance measure. The goal of this work was to evaluate two recent research proposals: the metameric uncertainty index ( R t ) and the metamer mismatching color rendering index (MMCRI). To compare the relative performance of these two measures, 100,000 spectral power distributions were generated with 3, 4, 5, 6, and 7 Gaussian spectral components and spectral widths varying from 1 nm (monochromatic) to 100 nm. Both measures generally agree with the theory that broadband radiation should cause less metameric mismatch than narrowband radiation. The two measures have relatively better agreement for broadband SPDs and relatively worse agreement for narrower spectra. Despite some similarities, non-parametric statistical tests suggest that R t and MMCRI are significantly different quantifications of illuminant-induced metameric mismatch ( p < 0.0001 for all comparisons). Characteristics of the MMCRI computation that are potentially problematic for applied lighting were observed.

42 ENGINEERING↗

Multidimensional scaling informed by F -statistic: Visualizing grouped microbiome data with inference

Multidimensional scaling (MDS) is a widely used dimensionality reduction technique in microbial ecology data analysis that captures the multivariate structure of the data while preserving pairwise distances between samples. While improvements in MDS have enhanced the ability to reveal group-specific data patterns, these MDS-based methods require prior assumptions for inference, limiting their application in general microbiome analysis. Here, in this study, we introduce a new MDS-based ordination method, “F-informed MDS,” which configures the data distribution based on the F-statistic, the ratio of dispersion between groups sharing common and different characteristics. Using semisynthetic datasets, we demonstrate that the proposed method is robust to hyperparameter selection while maintaining statistical significance throughout the ordination process. Various quality metrics for evaluating dimensionality reduction confirm that F-informed MDS is comparable to state-of-the-art methods in preserving both local and global data structures. Its application to a diatom-associated bacterial community suggests the role of this new method in interpreting the community’s response to the host. Our approach offers a well-founded refinement of MDS that aligns with statistical test results, which can be beneficial for broader multidimensional data analyses in microbiology and ecology. This new visualization tool can be incorporated into standard microbiome data analyses.

Biological and medical sciences↗

Data and scripts associated with a manuscript on residence time distribution simulation in two 10-kilometer long river sections

This data package is associated with the publication “On the Transferability of Residence Time Distributions in Two 10-km Long River Sections with Similar Hydromorphic Units” submitted to the Journal of Hydrology (Bao et al. 2024).Quantifying hydrologic exchange fluxes (HEFs) at the stream-groundwater interface, along with their residence time distributions (RTDs) in the subsurface, is crucial for managing water quality and ecosystem health in dynamic river corridors. However, directly simulating high-spatial resolution HEFs and RTDs can be a time-consuming process, particularly for watershed-scale modeling. Efficient surrogate models that link RTDs to hydromorphic units (HUs) may serve as alternatives for simulating RTDs in large-scale models. One common concern with these surrogate models, however, is the transferability of the relationship between the RTDs and HUs from one river corridor to another. To address this, we evaluated the HEFs and the resulting RTD-HU relationships for two 10-kilometer-long river corridors along the Columbia River, using a one-way coupled three-dimensional transient surface-subsurface water transport modeling framework that we previously developed. Applying this framework to the two river corridors with similar HUs allows for quantitative comparisons of HEFs and RTDs using both statistical tests and machine learning classification models. This data package includes the model inputs files and the simulation results data. This data package contains 10 folders. The modeling simulation results data are in the folders 100H_pt_data and 300area_pt_data, for the study domain Hanford 100H and 300 area respectively. The remaining eight folders contain the scripts and data to generate the manuscript figures. The file-level metadata file (Bao_2024_Residence_Time_Distribution _flmd.csv) includes a list of all files contained in this data package and descriptions for each. The data dictionary file (Bao_2024_Residence_Time_Distribution _dd.csv) includes column header definitions and units of all tabular files.

54 ENVIRONMENTAL SCIENCES↗

Verification and Validation of the STAT7 Code

This document presents the verification and validation of the STAT7 Version 1.0 code which has been developed to perform the steady-state thermal hydraulic safety calculation of the MIT Research Reactor required upon conversion of the reactor from high enrichment uranium fuel to low enrichment uranium fuel. The key capabilites of the code including the statistical processing, water property generation, and thermal hydraulic solution are verified independently. While the first two capabilites are checked using statistical tests and NIST data tables, each component of the thermal hydraulic solution is verified using simple geometry test problems. The comparison between results obtained by the code and hand calculations on these problems shows that each of these components work correctly. Additionally, a comprehensive comparison between STAT7 Version 1.0 and PLTEMP/ANL Version 4.2 calculations for a five-channel test problem is performed for the validation. The good agreement between the obtained results for all thermal hydraulic parameters belonging to the fuel core region is achieved. An issue in bypass flowrate calculation was detected when both fin-friction and bypass flow claculations are involved. This problem can be corrected in a later version of the code, however, does not affect the application of STAT7 code as it has been used to date where the flow distribution in the core region and bypass channel is specified as an input parameter.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Verification and Validation of the STAT7 Code

This document presents the verification and validation of the STAT7 Version 1.0 code which has been developed to perform the steady-state thermal hydraulic safety calculation of the MIT Research Reactor required upon conversion of the reactor from highly enriched uranium fuel to low- enriched uranium fuel. The key capabilities of the code including the statistical processing, water property generation, and thermal hydraulic solution are verified independently. While the first two capabilities are checked using statistical tests and NIST data tables, each component of the thermal hydraulic solution is verified using simple geometry test problems. The comparison between results obtained by the code and hand calculations on these problems shows that each of these components work correctly. Additionally, a comprehensive comparison between STAT7 Version 1.0 and PLTEMP/ANL Version 4.2 calculations for a five-channel test problem is performed for the validation. The good agreement between the obtained results for all thermal hydraulic parameters belonging to the fuel core region is achieved. An issue in bypass flowrate calculation was detected when both fin-friction and bypass flow calculations are involved. This problem can be corrected in a later version of the code. However, it does not affect the application of STAT7 as it has been used to date where the flow distribution in the core region and bypass channel is specified as an input parameter.

97 MATHEMATICS AND COMPUTING↗

Well Stimulation Treatment in California: Evaluation of Disclosure Data, May 2015 – October 2019

In this document, disclosure data from 1,228 well stimulations occurring May 2015 to October 2019 in California are evaluated. This evaluation updates a previous study that was based on 618 well stimulations occurring May 2015 to June 2016 (Stringfellow, W.T., Camarillo, M.K., and Jordan, P. 2017, Status of Well Stimulation in California Since Implementation of SB-4 Regulations, Berkeley National Laboratory, Berkeley, CA). While the goal of the previous study was to provide a summary of information obtained since passage of California Senate Bill No. 4—Oil and Gas, the goal of the current evaluation is to provide a basis for studying chemical indicators that could potentially be used to detect aquifer contamination. We evaluate chemical indicators is a separate document using the data contained herein as well as data from monitoring wells located within oil fields. Compared with the data used by Stringfellow et al. 2017, the current evaluation is based on a more diverse data set. While the previous study contained data for only two oil fields with more than 30 well stimulations, the current data set contains four oil fields with more than 30 well stimulations, making these data more ideal for comparisons using statistical tests. More producers and a new oil field, Buena Vista Nose, are represented in the current data set. Some well stimulation practices remain relatively unchanged since the previous study. Well stimulation is mostly occurring in Kern County with the exception of a single well stimulation in Orange County. Almost all well stimulations are hydraulic fracturing. The current data set contains two acid fracturing treatments and one matrix acidizing treatment. The median number of chemicals added per well stimulation—excluding water and proppant—was previously 21; the number in the expanded data set is 20. Median water added per well stimulation was previously 89,000 gallons and is now 98,000 gallons. While this water use represents a 10% increase, water use for hydraulic fracturing in California is still lower than water use in other oil and gas fields. Chemical formulations appear to have shifted since the previous study. This shift may be related to a change in the predominant service company. We identified 26 chemicals for which the frequency of use has changed by more than 30%. The total number of chemicals used has also expanded. Previously, 178 unique chemicals were identified as being added to well stimulation fluids. The total number of unique chemicals is now 205. Analytical data available for base and recovered fluids has expanded. The number of base fluid samples has increased from 12 to 35 and the number of recovered fluid samples has increased from 1,078 to 2,166. The expanded data set is more ideal for an evaluation of indicator chemicals and comparisons across different formations. The analytical data for recovered fluid samples indicates that many ions, radioactive constituents, and organics are consistently observed, making these chemicals ideal for consideration as potential indicators of aquifer contamination.

54 ENVIRONMENTAL SCIENCES↗

Fuel Fabrication and Single Stage Aqueous Process Modeling

The Material Protection, Accounting, and Control Technologies program utilizes modeling and simulation to assess Material Control and Accountability (MC&A) concerns for a variety of nuclear facilities. Single analyst tools allow for rapid design and evaluation of advanced approaches for new and existing nuclear facilities. A low enriched uranium (LEU) fuel conversion and fabrication facility simulator is developed to assist with MC&A for existing facilities. Measurements are added to the model (consistent with current best practices). Material balance calculations and statistical tests are also added to the model. In addition, scoping work is performed for developing a single stage aqueous reprocessing model. Preliminary results are presented and discussed, and next steps outlined.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Low Enriched Fuel Fabrication Safeguards Modeling

The Material Protection, Accounting, and Control Technologies (MPACT) program utilizes modeling and simulation to assess Material Control and Accountability (MC&A) concerns for a variety of nuclear facilities. Single analyst tools allow for rapid design and evaluation of advanced approaches for new and existing nuclear facilities. A low enriched uranium (LEU) fuel conversion and fabrication facility simulator has been developed to assist with MC&A for existing LEU fuel fabrication for light water reactors. Simulated measurement blocks were added to the model (consistent with current best practices). Material balance calculations and statistical tests have also been added to the model.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Analysis of Loss-of-Offsite-Power Events: Update

Loss-of-offsite power (LOOP) can have a negative impact on a nuclear power plant’s ability to achieve and maintain safe shutdown conditions. LOOP event frequencies and times required for subsequent restoration of offsite power are important inputs to plant probabilistic risk assessments. This report presents a statistical and engineering analysis of LOOP frequencies and durations at U.S. commercial nuclear power plants. The data used in this study were based on the operating experience during calendar years 1987–2020, while the most recent 15-year data (i.e., from 2006–2020) were used for most analyses in this report. LOOP events during critical operation that did not result in a reactor trip are not included. Frequencies and durations were determined for four LOOP event categories: plant-centered, switchyard-centered, grid-related, and weather related. Highly significant decreasing trends in the LOOP occurrence rates were identified for All-LOOPs during critical operation (p-value = 0.001) and switchyard-centered LOOPs during critical operation (p-value = 0.002) for the most recent 10-year period (2011–2020). Adverse trends in LOOP durations continue for switchyard-centered LOOPs (p-value = 0.005), All-LOOPs (p-value = 0.019), as well as All-LOOPs during shutdown operation (p-value = 0.003). Statistical tests show the LOOP counts are not uniformly distributed across the 12 months, and variation among the months exists for plant-centered LOOPs (p-value = 0.028), grid-related LOOPs (p-value = 0.021), All-LOOPs (p-value = 0.003), and All-LOOPs during critical operation (p-value = 0.008). The engineering analysis of LOOP data showed for the period of 2006–2020, the equipment failure events were dominated by failures of circuits and relay; human errors have been less frequent and occurred primarily in maintenance; and weather events were dominated by tornadoes and lightning.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Analysis of Loss-of-Offsite-Power Events: 2021 Update

Loss-of-offsite power (LOOP) can have a negative impact on a nuclear power plant’s ability to achieve and maintain safe shutdown conditions. LOOP event frequencies and times required for subsequent restoration of offsite power are important inputs to plant probabilistic risk assessments. This report presents a statistical and engineering analysis of LOOP frequencies and durations at U.S. commercial nuclear power plants. The data used in this study were based on the operating experience during calendar years 1987–2021, while the most recent 15-year data (i.e., from 2007–2021) were used for most analyses in this report. LOOP events during critical operation that did not result in a reactor trip are not included. Frequencies and durations were determined for four LOOP event categories: plant-centered, switchyard-centered, grid-related, and weather-related. These categories (and the All-LOOPs group which contains all LOOPs without regarding of the four categories) could be further grouped by whether a LOOP event occurred during critical operation, during shutdown operation, or during all operations. The following decreasing trends in the LOOP occurrence rates were identified for the most recent 10-year period (2012–2021): All-LOOPs during critical operation, switchyard-centered LOOPs during critical operation, and grid-related LOOPs during critical operation. Adverse trends in LOOP durations continue for switchyard-centered LOOPs during all operations, All-LOOPs during all operations, and All-LOOPs during shutdown operation for the 1997–2021 period. Statistical tests show the LOOP counts for the period of 2007–2021 are not uniformly distributed across the 12 months, and variation among the months exists for grid-related LOOPs during all operations, All-LOOPs during all operations, and All-LOOPs during critical operation. The engineering analysis of LOOP data showed for the period of 2007–2021, the equipment failure events were dominated by failures of relay and other; human errors have been less frequent and occurred primarily in maintenance and switching; and weather were dominated by tornadoes then by lightning and hurricane. Weather was the cause for 45% of LOOPs for the last fifteen years (2007– 2021) but only for 20% of LOOPs for the previous 20 years (1987–2006) .

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Verification and Validation of the STAT7 Code

This document presents the verification and validation of the STAT7 Version 1.1 code, which has been developed to perform the steady-state thermal hydraulics (TH) safety calculations required to support conversion of the Massachusetts Institute of Technology Research Reactor from highly enriched uranium fuel to low- enriched uranium fuel. The key capabilities of the code, including statistical processing, water property generation, and TH solution, are verified independently. While the first two capabilities are checked using statistical tests and NIST data tables, each component of the TH solution is verified using simple geometry test problems. The comparison between results obtained by the code and by hand calculations on these problems shows that each of these components works correctly. Additionally, a comprehensive comparison between STAT7 Version 1.1 and PLTEMP/ANL Version 4.3 Revision 162 calculations is performed for the validation. Good agreement is achieved between the results obtained with the two codes for all TH parameters belonging to the fuel core region.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Progress Towards an Investigation of the MiniBooNE Low Energy Excess Using Neutral-Current Delta-Like Single Photons in MicroBooNE with Wire-Cell 3D Reconstruction Algorithms

This note presents progress towards a Neutral-Current (NC) Delta-like single photon search in MicroBooNE using Wire-Cell 3D reconstruction and pattern recognition algorithms. This analysis will help address the question of the MiniBooNE Low Energy Excess (LEE) [1]. The selections are similar to the previously published Pandora-based single photon selections [2] in many ways, but here we use independent reconstruction and selection tools and examine a larger phase space (including charged pions and multiple protons). In the future, we will significantly reduce systematic uncertainties via the use of constraining sideband observations in order to statistically test specific models of the MiniBooNE LEE.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Progress towards an investigation of the MiniBooNE Low Energy Excess using neutral-current Delta-like single photons in MicroBooNE with Wire-Cell 3D reconstruction algorithms

This note presents progress towards a Neutral-Current (NC) Delta-like single photon search in MicroBooNE using Wire-Cell 3D reconstruction and pattern recognition algorithms. This analysis will help address the question of the MiniBooNE Low Energy Excess (LEE). The selections are similar to the previously published Pandora-based single photon selections in many ways, but here we use independent reconstruction and selection tools and examine a larger phase space (including charged pions and multiple protons). In the future, we will significantly reduce systematic uncertainties via the use of constraining sideband observations in order to statistically test specific models of the MiniBooNE LEE.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Validating Mixtures of 233 U, 235 U, and 239 Pu for the Sum-of-Fractions Method [Slides]

A joint effort by PNNL and ORNL examined mixtures of 233 U, 235 U, and 239 Pu to determine subcritical mass limits based on similarities to critical benchmark experiments through the Sum-of-Fractions method. Results of the validation efforts by ORNL were used to determine areas of applicability based on EALF and moderator/reflector type. TSUNAMI-1D, TSUNAMI-IP, and VADER sequences used for generating sensitivities, similarity assessments, and statistical testing. Validation efforts provided here using the Sum-of-Fractions method results in k eff values below established calculational margins and provides additional flexibility to limits provided in ANSI/ANS-8.15.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Material Control & Accounting Modeling Developments for a Generic TRISO Fuel Fabrication Facility

The Material Protection, Accounting, and Control Technologies (MPACT) program utilizes modeling and simulation to assess Material Control and Accountability (MC&A) concerns for a variety of nuclear facilities. The Sandia National Laboratories (SNL)-developed Fissile Facility Flow Modeler (F3M) and the Material Accountancy Performance Indicator Toolkit (MAPIT) have historically provided MPACT with the capability to analyze MC&A approaches for nuclear facilities to determine that these facilities meet regulatory requirements. In FY25, improvements on the application of the F3M and MAPIT tools to simulate a generic TRi-structural ISOtropic (TRISO) fuel fabrication facility were successfully completed. The generic TRISO fuel fabrication F3M model captures the entire TRISO fuel fabrication process and is adaptable to any final TRISO fuel form, including spherical pebbles and cylindrical compacts loaded into graphite prismatic blocks. Comprehensive F3M/MAPIT functionality for the generic TRISO fuel fabrication model has been demonstrated. This modeling framework can be applied to support the U.S. Department of Energy and domestic nuclear industry stakeholders in developing MC&A approaches for advanced fuel fabrication facilities via statistical tests that demonstrate compliance to regulatory requirements.

97 MATHEMATICS AND COMPUTING↗

Optimizing the combustion synthesis of FeAlxOy catalysts for microwave-assisted thermocatalytic dehydrogenation of fossil fuels

The growing demand for hydrogen requires the development of clean and energy-efficient technologies for its synthesis. Microwave-assisted thermocatalytic dehydrogenation of fossil fuels has demonstrated the potential to produce H2 with high yield and selectivity, and simultaneously generate valuable nanostructured carbon byproducts. In prior work, iron-based alumina (FeAlxOy) catalysts for this process were made via solution combustion synthesis (SCS). However, the effect of SCS parameters on the dehydrogenation performance is not well understood. The present study investigates this by varying the SCS fuel, Fe:Al molar ratio, and heating mode. The results show subtle changes of these parameters can result in significant differences in the phase composition, specific surface area, and microwave absorbing properties of FeAlxOy, which all affect microwave-assisted dehydrogenation. Notably, H2 selectivity can be increased from 30% to 74%. Statistical testing determined that the SCS fuel used was the most significant SCS parameter affecting dehydrogenation performance.

Chanoi, Zachary A.↗

Hydrogen Dispersion Modeling for Development of Smart Distributed Monitoring

Studying hydrogen dispersion is crucial for ensuring the safe and effective deployment of hydrogen as an energy carrier. This study presents a comprehensive CFD modeling framework for simulating hydrogen dispersion at a real-world hydrogen production, storage, and utilization facility. Utilizing the Hydrogen Research Facility under the Advanced Research on Integrated Energy Systems (ARIES) at the National Renewable Energy Laboratory's (NREL) Flatirons campus, controlled hydrogen releases at 27 kg-H2/hr were simulated. The model incorporated site-specific atmospheric conditions, including hourly wind speeds and temperatures recorded between 8 AM and 8 PM from October to December 2023. To reduce computational demands, a statistical reduction technique was applied to condense the dataset to 100 representative scenarios, validated by statistical tests for wind speeds and power law coefficients. Simulations were conducted using the Reynolds-Averaged Navier-Stokes equations. Results demonstrated that wind speed substantially influences hydrogen dispersion, with low wind conditions forming concentrated clouds and higher wind speeds stretching the plume. Additionally, clustering analysis informed optimal sensor placement at various elevations with up to 10 sensor locations on each elevation. This framework offers a robust approach for understanding hydrogen behavior in ambient conditions and informing detection strategies.

08 HYDROGEN↗