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Nearest Neighbor Averaging and its Effect on the Critical Level and Minimum Detectable Concentration for Scanning Radiological Survey Instruments that Perform Facility Release Surveys.

Through the SNL New Mexico Small Business Assistance (NMSBA) program, several Sandia engineers worked with the Environmental Restoration Group (ERG) Inc. to verify and validate a novel algorithm used to determine the scanning Critical Level (L c ) and Minimum Detectable Concentration (MDC) (or Minimum Detectable Areal Activity) for the 102F scanning system. Through the use of Monte Carlo statistical simulations the algorithm mathematically demonstrates accuracy in determining the L c and MDC when a nearest-neighbor averaging (NNA) technique was used. To empirically validate this approach, SNL prepared several spiked sources and ran a test with the ERG 102F instrument on a bare concrete floor known to have no radiological contamination other than background naturally occurring radioactive material (NORM). The tests conclude that the NNA technique increases the sensitivity (decreases the L c and MDC) for high-density data maps that are obtained by scanning radiological survey instruments.

Fournier, Sean Donovan↗

Advanced Models for Nondestructive Evaluation of Aging Nuclear Power Plant Cables

Background: Nuclear power plant (NPP) cables must function correctly for proper power supply and control of the nuclear reactor. This is especially important for public and environmental safety at critical times such as during reactor shut-down following loss of coolant. Over extended periods of service, the cable insulation and jacket polymer materials suffer from degradation due to exposure to environmental stressors such as heat and ionizing radiation. The focus of this project has been the development of detailed descriptions of the way in which insulation polymers degrade, from a materials science perspective, and the development of new electrical techniques to monitor cable polymer condition nondestructively. Objectives: The objectives of this project have been to i) perform detailed characterization experiments upon cable insulation polymers that have experienced thermal and radiation exposure mimicking that received during NPP operation, including the exploration of novel cable nondestructive evaluation methods; capacitive, THz and infrared methods; ii) identify the most sensitive indicators of aging in these materials, and iii) develop advanced, validated models describing microstructural and chemical changes that are observed in cable insulation polymers due to thermal and radiation exposure. Methods: Accelerated aging was performed on the two most common United States NPP cable insulation polymers (cross-linked polyethylene (XLPE) and ethylene propylene rubber (EPR)) under various conditions of elevated temperature and gamma radiation dose. Aging mechanisms were elucidated through extensive thermal, mechanical and microscopic characterization of the aged samples, and materials modeling. Dielectric and IR spectra were measured on pristine and aged samples. Data was analyzed statistically, via multiple linear regression, partial least squares and probabilistic neural network approaches. Impact: Extant cable monitoring techniques do not deal successfully with all polymer types. This research has laid a foundation upon which new electrical nondestructive test methods for cable polymer condition monitoring may be developed, hence launching the development of new test methods for cable insulation monitoring based on measuring electrical rather than mechanical parameters. Collaboration: This project has benefitted from collaboration between experts in materials science and engineering, materials modeling, electrical engineering, and nondestructive evaluation. The majority of the characterization measurements were carried out at Iowa State University. Materials modeling was carried out primarily at Washington State University. Irradiation of samples took place at Pacific Northwest National Laboratory (PNNL), where a student intern from Iowa State was hosted for one summer, setting up the aging experiments. A research student from the University of Bologna, Italy, joined the project for their thesis research at Iowa State University with samples provided by PNNL. The project benefitted from regular involvement of senior engineers in US-based industry partners. Project investigators presented findings at various national and international conferences and workshops.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A general solution strategy of modified power method for higher mode solutions

A general solution strategy of the modified power iteration method for calculating higher eigenmodes has been developed and applied in continuous energy Monte Carlo simulation. The new approach adopts four features: 1) the eigen decomposition of transfer matrix, 2) weight cancellation for higher modes, 3) population control with higher mode weights, and 4) stabilization technique of statistical fluctuations using multi-cycle accumulations. The numerical tests of neutron transport eigenvalue problems successfully demonstrate that the new strategy can significantly accelerate the fission source convergence with stable convergence behavior while obtaining multiple higher eigenmodes at the same time. The advantages of the new strategy can be summarized as 1) the replacement of the cumbersome solution step of high order polynomial equations required by Booth's original method with the simple matrix eigen decomposition, 2) faster fission source convergence in inactive cycles, 3) more stable behaviors in both inactive and active cycles, and 4) smaller variances in active cycles. Advantages 3 and 4 can be attributed to the lower sensitivity of the new strategy to statistical fluctuations due to the multi-cycle accumulations. The application of the modified power method to continuous energy Monte Carlo simulation and the higher eigenmodes up to 4th order are reported for the first time in this paper. -- Graphical abstract: -- Highlights: •Modified power method is applied to continuous energy Monte Carlo simulation. •Transfer matrix is introduced to generalize the modified power method. •All mode based population control is applied to get the higher eigenmodes. •Statistic fluctuation can be greatly reduced using accumulated tally results. •Fission source convergence is accelerated with higher mode solutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Probing neutrino emission at GeV energies from compact binary mergers with the IceCube Neutrino Observatory

The advent of multimessenger astronomy has allowed for new types of source searches by neutrino detectors. Here, we present the results of the search for 0.5–100 GeV astrophysical neutrinos detected with IceCube and emitted from compact binary mergers detected by the LIGO, Virgo, and KAGRA interferometers from their first run of observation (O1) to the end of the first part of the fourth (O4a). An innovative approach is used to lower the energy threshold to 0.5 GeV and to search for an excess of GeV neutrinos in time coincidence with astrophysical transient events. Furthermore, we use a statistical combination of all observations, a binomial test, to search for a subpopulation of neutrino emitters. No significant excess was found from the studied mergers, with a best post-trial 𝑝-value of 40%, and there is currently no hint of a population of GeV neutrino emitters found in the IceCube data (post-trial 𝑝−value=81%).

Abbasi, R. [Loyola University Chicago]↗

Knock Intensity Distribution and a Stochastic Control Framework for Knock Control

One of the main factors limiting the efficiency of spark-ignited (SI) engines is the occurrence of engine knock. In high temperature and high pressure in-cylinder conditions, the fuel–air mixture auto-ignites creating pressure shock waves in the cylinder. Knock can significantly damage the engine and hinder its performance; as such, conservative knock control strategies are generally implemented which avoid such operating conditions at the cost of lower thermal efficiencies. Significant improvements in the performance of conventional knock controllers are possible if the properties of the knock process are better characterized and exploited in knock controller designs. One of the methods undertaken to better characterize knocking instances is to employ a probabilistic approach, in which the likelihood of knock is derived from the statistical distribution of knock intensity (KI). In this paper, it is shown that KI values at a fixed operating point for single fuel and dual fuel engines are accurately described using a mixed lognormal distribution. The fitting accuracy is compared against those for a randomly generated mixed-lognormally distributed dataset, and shown to exceed a 95% accuracy threshold for almost all of the operating points tested. Additionally, this paper discusses a stochastic knock control approach that leverages the mixed lognormal distribution to adjust spark timing based on KI measurements. Overall, this more informed knock control strategy would allow for improvements in engine performance and fuel efficiency by minimizing knock occurrences.

42 ENGINEERING↗

Material Control & Accounting Statistical Test Modeling Supporting the Low Enriched Fuel Fabrication Facility Using F3M and MAPIT

This report covers the application of the TRi-structural ISOtropic (TRISO) fuel fabrication facility material control & accounting (MC&A) modeling capability developed by Sandia National Laboratories (SNL) under the U.S. Department of Energy (DOE) Materials Protection, Accounting, and Control Technologies (MPACT) program to support the development of MC&A approaches for the Low Enriched Fuel Fabrication Facility (LEFFF) at Los Alamos National Laboratory (LANL).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

3D radiated power analysis of JET SPI discharges using the Emis3D forward modeling tool

Abstract Precise values for radiated energy in tokamak disruption experiments are needed to validate disruption mitigation techniques for burning plasma tokamaks like ITER and SPARC. Control room analysis of radiated power ( P rad ) on JET assumes axisymmetry, since fitting 3D radiation structures with limited bolometry coverage is an under-determined problem. In mitigated disruptions, radiation is toroidally asymmetric and 3D, due to fast-growing 3D MHD modes and localized impurity sources. To address this problem, Emis3D adopts a physics motivated forward modeling (‘guess and check’) approach, comparing experimental bolometry data to synthetic data from user-defined radiation structures. Synthetic structures are observed with the Cherab modeling framework and a best fit chosen using a reduced χ 2 statistic. 2D tomographic inversion models are tested, as well as helical flux tubes and 3D MHD simulated structures from JOREK. Two nominally identical pure neon shattered pellet injection (SPI) mitigated discharges in JET are analyzed. 2D tomographic inversions with added toroidal freedom are the best fits in the thermal quench (TQ) and current quench (CQ). In the pre-TQ, 2D reconstructions are statistically the best fits, but are likely over-optimized and do not capture the 3D radiation structure seen in fast camera images. The next-best pre-TQ fits are helical structures that extend towards the high-field side, consistent with an impurity flow under the magnetic nozzle effect also observed in JOREK simulations. Whole-disruption radiated fractions of 0.98 + 0.03 / − 0.29 and 1.01 + 0.02 / − 0.17 are found, suggesting that the stored energy may have been fully mitigated by each SPI, although mitigation efficiencies well below ITER and SPARC requirements for high energy pulses are still within the large uncertainties. Emis3D is also used to validate JOREK SPI simulations, and confirms improvements in matching experiment from changes to impurity modeling. Time-dependent toroidal peaking factors are calculated and discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Computational and empirical studies predict Mycobacterium tuberculosis -specific T cells as a biomarker for infection outcome

Identifying biomarkers for tuberculosis (TB) is an ongoing challenge in developing immunological correlates of infection outcome and protection. Biomarker discovery is also necessary for aiding design and testing of new treatments and vaccines. To effectively predict biomarkers for infection progression in any disease, including TB, large amounts of experimental data are required to reach statistical power and make accurate predictions. We took a two-pronged approach using both experimental and computational modeling to address this problem. We first collected 200 blood samples over a 2-year period from 28 non-human primates (NHP) infected with a low dose of Mycobacterium tuberculosis . We identified T cells and the cytokines that they were producing (single and multiple) from each sample along with monkey status and infection progression data. Machine learning techniques were used to interrogate the experimental NHP datasets without identifying any potential TB biomarker. In parallel, we used our extensive novel NHP datasets to build and calibrate a multi-organ computational model that combines what is occurring at the site of infection (e.g., lung) at a single granuloma scale with blood level readouts that can be tracked in monkeys and humans. We then generated a large in silico repository of in silico granulomas coupled to lymph node and blood dynamics and developed an in silico tool to scale granuloma level results to a full host scale to identify what best predicts Mycobacterium tuberculosis (Mtb) infection outcomes. The analysis of in silico blood measures identifies Mtb -specific frequencies of effector T cell phenotypes at various time points post infection as promising indicators of infection outcome. As a result, we emphasize that pairing wetlab and computational approaches holds great promise to accelerate TB biomarker discovery.

59 BASIC BIOLOGICAL SCIENCES↗

Predicting peak spectral sensitivities of vertebrate cone visual pigments using atomistic molecular simulations

Vision is the dominant sensory modality in many organisms for foraging, predator avoidance, and social behaviors including mate selection. Vertebrate visual perception is initiated when light strikes rod and cone photoreceptors within the neural retina of the eye. Sensitivity to individual colors, i.e., peak spectral sensitivities (λ max ) of visual pigments, are a function of the type of chromophore and the amino acid sequence of the associated opsin protein in the photoreceptors. Large differences in peak spectral sensitivities can result from minor differences in amino acid sequence of cone opsins. To determine how minor sequence differences could result in large spectral shifts we selected a spectrally-diverse group of 14 teleost Rh2 cone opsins for which sequences and λ max are experimentally known. Classical molecular dynamics simulations were carried out after embedding chromophore-associated homology structures within explicit bilayers and water. These simulations revealed structural features of visual pigments, particularly within the chromophore, that contributed to diverged spectral sensitivities. Statistical tests performed on all the observed structural parameters associated with the chromophore revealed that a two-term, first-order regression model was sufficient to accurately predict λ max over a range of 452–528 nm. The approach was accurate, efficient and simple in that site-by-site molecular modifications or complex quantum mechanics models were not required to predict λ max . These studies identify structural features associated with the chromophore that may explain diverged spectral sensitivities, and provide a platform for future, functionally predictive opsin modeling.

59 BASIC BIOLOGICAL SCIENCES↗

Energy Efficiency Potential in the U.S. Single-Family Housing Stock

Typical approaches for assessing energy efficiency potential in buildings use a limited number of prototypes, and therefore suffer from inadequate resolution when pass-fail cost-effectiveness tests are applied, which can significantly underestimate or overestimate the economic potential of energy efficiency technologies. This analysis applies a new approach to large-scale residential energy analysis, combining the use of large public and private data sources, statistical sampling, detailed building simulations, and high-performance computing to achieve unprecedented granularity - and therefore accuracy - in modeling the diversity of the single-family housing stock. The result is a comprehensive set of maps, tables, and figures showing the technical and economic potential of 50 plus residential energy efficiency upgrades and packages for each state. Policymakers, program designers, and manufacturers can use these results to identify upgrades with the highest potential for cost-effective savings in a particular state or region, as well as help identify customer segments for targeted marketing and deployment. The primary finding of this analysis is that there is significant technical and economic potential to save electricity and on-site fuel use in the single-family housing stock. However, the economic potential is very sensitive to the cost-effectiveness criteria used for analysis. Additionally, the savings of particular energy efficiency upgrades is situation-specific within the housing stock (depending on climate, building vintage, heating fuel type, building physical characteristics, etc.).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Stopping criteria for ending autonomous, single detector radiological source searches

While the localization of radiological sources has traditionally been handled with statistical algorithms, such a task can be augmented with advanced machine learning methodologies. The combination of deep and reinforcement learning has provided learning-based navigation to autonomous, single-detector, mobile systems. However, these approaches lacked the capacity to terminate a surveying/search task without outside influence of an operator or perfect knowledge of source location (defeating the purpose of such a system). Two stopping criteria are investigated in this work for a machine learning navigated system: one based upon Bayesian and maximum likelihood estimation (MLE) strategies commonly used in source localization, and a second providing the navigational machine learning network with a “stop search” action. A convolutional neural network was trained via reinforcement learning in a 10 m × 10 m simulated environment to navigate a randomly placed detector-agent to a randomly placed source of varied strength (stopping with perfect knowledge during training). The network agent could move in one of four directions (up, down, left, right) after taking a 1 s count measurement at the current location. During testing, the stopping criteria for this navigational algorithm was based upon a Bayesian likelihood estimation technique of source presence, updating this likelihood after each step, and terminating once the confidence of the source being in a single location exceeded 0.9. A second network was trained and tested with similar architecture as the previous but which contained a fifth action: for self-stopping. The accuracy and speed of localization with set detector and source initializations were compared over 50 trials of MLE-Bayesian approach and 1000 trials of the CNN with self-stopping. The statistical stopping condition yielded a median localization error of ~1.41 m and median localization speed of 12 steps. The machine learning stopping condition yielded a median localization error of 0 m and median localization speed of 17 steps. This work demonstrated two stopping criteria available to a machine learning guided, source localization system.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Multichannel response analysis on 2D projection views for detection of clustered microcalcifications in digital breast tomosynthesis

Purpose: To investigate the feasibility of a new two-dimensional (2D) multichannel response (MCR) analysis approach for the detection of clustered microcalcifications (MCs) in digital breast tomosynthesis (DBT). Methods: With IRB approval and informed consent, a data set of two-view DBTs from 42 breasts containing biopsy-proven MC clusters was collected in this study. The authors developed a 2D approach for MC detection using projection view (PV) images rather than the reconstructed three-dimensional (3D) DBT volume. Signal-to-noise ratio (SNR) enhancement processing was first applied to each PV to enhance the potential MCs. The locations of MC candidates were then identified with iterative thresholding. The individual MCs were decomposed with Hermite–Gaussian (HG) and Laguerre–Gaussian (LG) basis functions and the channelized Hotelling model was trained to produce the MCRs for each MC on the 2D images. The MCRs from the PVs were fused in 3D by a coincidence counting method that backprojects the MC candidates on the PVs and traces the coincidence of their ray paths in 3D. The 3D MCR was used to differentiate the true MCs from false positives (FPs). Finally a dynamic clustering method was used to identify the potential MC clusters in the DBT volume based on the fact that true MCs of clinical significance appear in clusters. Using two-fold cross validation, the performance of the 3D MCR for classification of true and false MCs was estimated by the area under the receiver operating characteristic (ROC) curve and the overall performance of the MCR approach for detection of clustered MCs was assessed by free response receiver operating characteristic (FROC) analysis. Results: When the HG basis function was used for MCR analysis, the detection of MC cluster achieved case-based test sensitivities of 80% and 90% at the average FP rates of 0.65 and 1.55 FPs per DBT volume, respectively. With LG basis function, the average FP rates were 0.62 and 1.57 per DBT volume at the same sensitivity levels. The difference in the two sets of basis functions for detection of MCs did not show statistical significance. Conclusions: The authors' experimental results indicate that the MCR approach is promising for the detection of MCs on PV images. The HG or LG basis functions are both effective in characterizing the signal response of MCs using the channelized Hotelling model. The coincidence counting method for fusion of the 2D MCR in 3D is an important step for FP reduction. Further study is underway to improve the MCR approach for microcalcification detection in DBT.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Robust cosmological inference from non-linear scales with k -th nearest neighbour statistics

ABSTRACT We present the methodology for deriving accurate and reliable cosmological constraints from non-linear scales ($\lt 50\, h^{-1}$ Mpc) with k-th nearest neighbour (kNN) statistics. We detail our methods for choosing robust minimum scale cuts and validating galaxy–halo connection models. Using cross-validation, we identify the galaxy–halo model that ensures both good fits and unbiased predictions across diverse summary statistics. We demonstrate that we can model kNNs effectively down to transverse scales of $r_{\rm p}\sim 3\, h^{-1}$ Mpc and achieve precise and unbiased constraints on the matter density and clustering amplitude, leading to a 2 per cent constraint on σ8. Our simulation-based model pipeline is resilient to varied model systematics, spanning simulation codes, halo finding, and cosmology priors. We demonstrate the effectiveness of this approach through an application to the Beyond-2p mock challenge. We propose further explorations to test more complex galaxy–halo connection models and tackle potential observational systematics.

79 ASTRONOMY AND ASTROPHYSICS↗

A Fundamentals Approach to Plant Capacity Testing

This paper provides a recommended method for evaluating the AC capacity of a photovoltaic (PV) generating station. It also presents companion guidance on setting the facilitys capacity guarantee value. This is a principles-based approach that incorporates plant fundamental design parameters such as loss factors, module coefficients, and inverter constraints. This method has been used to prove contract guarantees for over 700 MW of installed projects. The method is transparent, and the results are deterministic. In contrast, current industry practices incorporate statistical regression where the empirical coefficients may only characterize the collected data. Though these methods may work well when extrapolation is not required, there are other situations where the empirical coefficients may not adequately model actual performance.This proposed Fundamentals Approach method provides consistent results even where regression methods start to lose fidelity.

14 SOLAR ENERGY↗

Machine-learning error models for approximate solutions to parameterized systems of nonlinear equations

Here, this work proposes a machine-learning framework for constructing statistical models of errors incurred by approximate solutions to parameterized systems of nonlinear equations. These approximate solutions may arise from early termination of an iterative method, a lower-fidelity model, or a projection-based reduced-order model, for example. The proposed statistical model comprises the sum of a deterministic regression-function model and a stochastic noise model. The method constructs the regression-function model by applying regression techniques from machine learning (e.g., support vector regression, artificial neural networks) to map features (i.e., error indicators such as sampled elements of the residual) to a prediction of the approximate-solution error. The method constructs the noise model as a mean-zero Gaussian random variable whose variance is computed as the sample variance of the approximate-solution error on a test set; this variance can be interpreted as the epistemic uncertainty introduced by the approximate solution. This work considers a wide range of feature-engineering methods, data-set-construction techniques, and regression techniques that aim to ensure that (1) the features are cheaply computable, (2) the noise model exhibits low variance (i.e., low epistemic uncertainty introduced), and (3) the regression model generalizes to independent test data. Finally, numerical experiments performed on several computational-mechanics problems and types of approximate solutions demonstrate the ability of the method to generate statistical models of the error that satisfy these criteria and significantly outperform more commonly adopted approaches for error modeling.

97 MATHEMATICS AND COMPUTING↗

A Bayesian nonparametric analysis for zero-inflated multivariate count data with application to microbiome study

High-throughput sequencing technology has enabled researchers to profile microbial communities from a variety of environments, but analysis of multivariate taxon count data remains challenging. Here, we develop a Bayesian nonparametric (BNP) regression model with zero inflation to analyse multivariate count data from microbiome studies. A BNP approach flexibly models microbial associations with covariates, such as environmental factors and clinical characteristics. The model produces estimates for probability distributions which relate microbial diversity and differential abundance to covariates, and facilitates community comparisons beyond those provided by simple statistical tests. We compare the model to simpler models and popular alternatives in simulation studies, showing, in addition to these additional community-level insights, it yields superior parameter estimates and model fit in various settings. The model's utility is demonstrated by applying it to a chronic wound microbiome data set and a Human Microbiome Project data set, where it is used to compare microbial communities present in different environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improving seasonal precipitation forecasts in the Western United States through statistical downscaling

Abstract Seasonal precipitation forecasts in the western United States are critical resources for water resource management, especially during winter. While current seasonal forecasting systems provide monthly precipitation forecasts operationally, their coarse resolution limits their effectiveness in capturing the localized precipitation patterns and snowpack conditions essential for water resource managers in the mountainous regions. Here, analog statistical downscaling is demonstrated as an effective approach to enhance the spatial resolution of operational seasonal forecasts provided by the North American Multi-Model Ensemble. Downscaling was performed by building an analog ‘library’, in which corresponding model forecasts and observed values during the training period were stored. In the testing period, unseen model forecasts referenced the closest historical forecast from the analog library and applied the corresponding observational value for each point. This analysis indicates that downscaled products can capture localized features more accurately than the original coarse resolution forecasts, reducing forecast error across the western United States. Moreover, downscaling individual ensemble members—rather than downscaling the ensemble mean—further reduces forecasting error for their multi-model ensemble mean products. The greatest error reductions in the downscaled product, measured by root mean squared error (RMSE), were observed at low to mid-elevations (500–2000 meters), with 50%–70% improvement relative to the original forecasts. In the higher elevations (2000 meters and above), changes in RMSE relative to the original forecast were limited to 10%–30% improvements. The improvement is more substantial for forecast systems with 10 ensemble members compared to that with 4 members, but this relationship does not hold for the system with 24 ensemble members. These findings show that analog statistical downscaling can effectively address the spatial limitations of seasonal precipitation forecasts with minimal computational cost, providing a valuable framework for enhancing coarse resolution forecasting products while providing insights into the timing of ensemble mean calculations during the downscaling process.

Vernon, B. (ORCID:0009000891670689)↗

Machine learning assisted bayesian inference of mix and hot-spot conditions in NIF implosions

Experiments on the National Ignition Facility (NIF) have provided clear evidence of ablator material mixing into the Hot-Spot, leading to degraded performance. However, inferring the amount of mix and Hot-Spot conditions from typical experimental observations (e.g. x-ray spectra and images) is highly challenging. Here, we have developed an analysis method that utilizes machine learning assisted Bayesian inference to find the probability distributions of the Hot-Spot and mix conditions. This approach uses a neural network, trained on an idealized 2-dimensional representation of the Hot-Spot and mix distribution, and Bayesian inference to find the statistical distributions of Hot-Spot conditions that provide a match with observations. We have tested this method with synthetic data from simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗