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Z α 2 correction to superallowed beta decays in effective field theory and implications for | V u d |

Superallowed ( 0 + → 0 + ) beta decays currently provide the most precise extraction of quark mixing in the Standard Model. Their interpretation as a measurement of | V u d | relies on a reliable first-principles computation of QED radiative corrections expressed as a series in Z α and α . In this work, we provide the first model-independent result for two-loop, O ( Z α 2 ) , long-distance radiative corrections where the nuclei are treated as heavy pointlike particles. We use renormalization group analysis to obtain new results at O ( Z α 3 ) for the coefficient of double logarithms in the ratio of the maximal beta energy to the inverse nuclear size, E m / R - 1 . We use the Kinoshita-Lee-Nauenberg theorem to obtain new results at O ( Z 2 α 3 ) for the coefficient of logarithms in the ratio of maximal beta energy to the electron mass, log ( 2 E m / m ) . We identify a structure-dependent, and, therefore, short-distance, contribution to the traditional Z α 2 correction that should be revisited. We provide the first comprehensive update to the long-distance corrections in almost 40 years and comment on the impact of our findings for extractions of | V u d | . We find that shifts in the long-distance corrections are 2.5 × larger than past estimates of their uncertainty, 1.5 × larger than the statistical uncertainty from the combined fit of superallowed decays, and about 1 / 2 the size of estimated systematic error, which stems dominantly from nuclear structure effects.

Cao, Zehua [Kentucky U.] (ORCID:0009000354256423)↗

SU-G-TeP4-07: Automatic EPID-Based 2D Measurement of MLC Leaf Offset as a Quality Control Tool

Purpose: The MLC dosimetric leaf gap (DLG) and transmission are measured parameters which impact the dosimetric accuracy of IMRT and VMAT plans. This investigation aims to develop an efficient and accurate routine constancy check of the physical DLG in two dimensions. Methods: The manufacturer’s recommended DLG measurement method was modified by using 5 fields instead of 11 and by utilizing the Electronic Portal Imaging Device (EPID). Validations were accomplished using an ion chamber (IC) in solid water and a 2D IC array. EPID data was collected for 6 months on multiple TrueBeam linacs using both Millennium and HD MLCs at 5 different clinics in an international consortium. Matlab code was written to automatically analyze the images and calculate the 2D results. Sensitivity was investigated by introducing deliberate leaf position errors. MLC calibration and initialization history was recorded to allow quantification of their impact. Results were analyzed using statistical process control (SPC). Results: The EPID method took approximately 5 minutes. Due to detector response, the EPID measured DLG and transmission differed from the IC values but were reproducible and consistent with changes measured using the ICs. For the Millennium MLC, the EPID measured DLG and transmission were both consistently lower than IC results. The EPID method was implemented as leaf offset and transmission constancy tests (LOC and TC). Based on 6 months of measurements, the initial leaf-specific action thresholds for changes from baseline were set to 0.1 mm. Upper and lower control limits for variation were developed for each machine. Conclusion: Leaf offset and transmission constancy tests were implemented on Varian HD and Millennium MLCs using an EPID and found to be efficient and accurate. The test is effective for monitoring MLC performance using dynamic delivery and performing process control on the DLG in 2D, thus enhancing dosimetric accuracy. This work was supported by a grant from Varian Medical Systems.

61 RADIATION PROTECTION AND DOSIMETRY↗

Impact of Glass Irradiation on Laser-Induced Breakdown Spectroscopy Data Analysis

Increased absorption of optical materials arising from exposure to ionizing radiation must be accounted for to accurately analyze laser-induced breakdown spectroscopy (LIBS) data retrieved from high-radiation environments. We evaluate this effect on two examples that mimic the diagnostics placed within novel nuclear reactor designs. The analysis is performed on LIBS data measured with 1% Xe gas in an ambient He environment and 1% Eu in a molten LiCl-KCl matrix, along with the measured optical absorption from the gamma- and neutron-irradiated low-OH fused silica and sapphire glasses. Significant changes in the number of laser shots required to reach a 3σ detection level are observed for the Eu data, increasing by two orders of magnitude after exposure to a 1.7 × 1017 n/cm2 neutron fluence. For all cases examined, the spectral dependence of absorption results in the introduction of systematic errors. Moreover, if lines from different spectral regions are used to create Boltzmann plots, this attenuation leads to statistically significant changes in the temperatures calculated from the Xe II lines and Eu II lines, lowering them from 8000 ± 610 K to 6900 ± 810 K and from 15,800 ± 400 K to 7200 ± 800 K, respectively, for exposure to the 1.7 × 1017 n/cm2 fluence. The temperature range required for a 95% confidence interval for the calculated temperature is also broadened. In the case of measuring the Xe spectrum, these effects may be mitigated using only the longer-wavelength spectral region, where radiation attenuation is relatively small, or through analysis using the iterative Saha–Boltzmann method.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Designing Size Consistent Statistics for Accurate Anomaly Detection in Dynamic Networks

An important task in network analysis is the detection of anomalous events in a network time series. These events could merely be times of interest in the network timeline or they could be examples of malicious activity or network malfunction. Hypothesis testing using network statistics to summarize the behavior of the network provides a robust framework for the anomaly detection decision process. Unfortunately, choosing network statistics that are dependent on confounding factors like the total number of nodes or edges can lead to incorrect conclusions (e.g., false positives and false negatives). In this article, we describe the challenges that face anomaly detection in dynamic network streams regarding confounding factors. We also provide two solutions to avoiding error due to confounding factors: the first is a randomization testing method that controls for confounding factors, and the second is a set of size-consistent network statistics that avoid confounding due to the most common factors, edge count and node count.

97 MATHEMATICS AND COMPUTING↗

Current data are consistent with flat spatial hypersurfaces in the Λ CDM cosmological model but favor more lensing than the model predicts

Here, we study the performance of three pairs of tilted, and a pair of untilited, ΛCDM cosmological models, with three of these four pairs allowing for non-flat spatial hypersurfaces, against cosmic microwave background (CMB) temperature and polarization power spectrum data (P18), measurements of the Planck 2018 lensing potential power spectrum (lensing), and a large compilation of non-CMB data (non-CMB). For the eight models, we measure cosmological parameters and study whether or not pairs of the data sets (as well as subsets of them) are mutually consistent in these models. Half of these models allow the lensing consistency parameter A L , which re-scales the gravitational potential power spectrum, to be an additional free parameter to be determined from data, while the other three have A L = 1 which is the theoretically expected value. The pair of untilted non-flat ΛCDM models are incompatible with P18 data. The tilted spatially-flat models assume the usual primordial spatial inhomogeneity power spectrum that is a power law in wave number. The tilted non-flat models assume either the primordial power spectrum used in the Planck group anal yses [Planck P(q)], that has recently been numerically shown to be a good approximation to what is quantum-mechanically generated from a particular choice of closed inflation model initial conditions, or a recently computed power spectrum [new P(q)] that quantum-mechanically follows from a different set of non-flat inflation model initial conditions. In the tilted non-flat models with A L = 1 we find differences between P18 data and non-CMB data cosmological parameter constraints, which are large enough to rule out the Planck P(q) model at 3σ but not the new P(q) model. No significant differences are found when cosmological parameter constraints obtained with two different data sets are compared within the standard tilted flat ΛCDM model. While both P18 data and non-CMB data separately favor a closed geometry, with spatial curvature density parameter Ω k < 0, when P18+non-CMB data are jointly analyzed the evidence in favor of non-flat hypersurfaces subsides. Differences between P18 data and non-CMB data cosmological constraints subside when A L is allowed to vary. From the most restrictive P18+lensing+non-CMB data combination we get almost model-independent constraints on the cosmological parameters and find that the A L > 1 option is preferred over the Ω k < 0 one, with the A L parameter, for all models, being larger than unity by ~ 2.5σ. According to the deviance information criterion, in the P18+lensing+non-CMB analysis, the varying A L option is on the verge of being strongly favored over the A L = 1 one, which could indicate a problem for the standard tilted flat ΛCDM model. These data are consistent with flat spatial hypersurfaces but more and better data could improve the constraints on Ω k and might alter this conclusion. Error bars on some cosmological parameters are significantly reduced when non-CMB data are used jointly with P18+lensing data. For example, in the tilted flat ΛCDM model for P18+lensing+non-CMB data the Hubble constant H 0 = 68.09 ± 0.38 km s -1 Mpc -1 , which is consistent with that from a median statistics analysis of a large compilation of H 0 measurements as well as with a number of local measurements of the cosmological expansion rate. This H 0 error bar is 31% smaller than that from P18+lensing data alone.

79 ASTRONOMY AND ASTROPHYSICS↗

BEYONDPLANCK X. Planck Low Frequency Instrument frequency maps with sample-based error propagation

We present Planck Low Frequency Instrument (LFI) frequency sky maps derived within the BEYONDPLANCK framework. This framework draws samples from a global posterior distribution that includes instrumental, astrophysical, and cosmological parameters, and the main product is an entire ensemble of frequency sky map samples, each of which corresponds to one possible realization of the various modeled instrumental systematic corrections, including correlated noise, time-variable gain, as well as far sidelobe and bandpass corrections. This ensemble allows for computationally convenient end-to-end propagation of low-level instrumental uncertainties into higher-level science products, including astrophysical component maps, angular power spectra, and cosmological parameters. We show that the two dominant sources of LFI instrumental systematic uncertainties are correlated noise and gain fluctuations, and the products presented here support – for the first time – full Bayesian error propagation for these effects at full angular resolution. We compared our posterior mean maps with traditional frequency maps delivered by the Planck Collaboration, and find generally good agreement. The most important quality improvement is due to significantly lower calibration uncertainties in the new processing, as we find a fractional absolute calibration uncertainty at 70 GHz of Δg 0 /g 0 = 5 x 10 -5 , which is nominally 40 times smaller than that reported by Planck 2018. However, we also note that the original Planck 2018 estimate has a nontrivial statistical interpretation, and this further illustrates the advantage of the new framework in terms of producing self-consistent and well-defined error estimates of all involved quantities without the need of ad hoc uncertainty contributions. We describe how low-resolution data products, including dense pixel-pixel covariance matrices, may be produced from the posterior samples directly, without the need for computationally expensive analytic calculations or simulations. We conclude that posterior-based frequency map sampling provides unique capabilities in terms of low-level systematics modeling and error propagation, and may play an important role for future Cosmic Microwave Background (CMB) B-mode experiments aiming at nanokelvin precision.

79 ASTRONOMY AND ASTROPHYSICS↗

Proton radius from electron scattering data

Background: The proton charge radius extracted from recent muonic hydrogen Lamb shift measurements is significantly smaller than that extracted from atomic hydrogen and electron scattering measurements. The discrepancy has become known as the proton radius puzzle. Purpose: In an attempt to understand the discrepancy, we review high-precision electron scattering results from Mainz, Jefferson Lab, Saskatoon and Stanford. Methods: We make use of stepwise regression techniques using the F-test as well as the Akaike information criterion to systematically determine the predictive variables to use for a given set and range of electron scattering data as well as to provide multivariate error estimates. Results: Starting with the precision, low four-momentum transfer (Q 2 ) data from Mainz (1980) and Saskatoon (1974), we find that a stepwise regression of the Maclaurin series using the F-test as well as the Akaike information criterion justify using a linear extrapolation which yields a value for the proton radius that is consistent with the result obtained from muonic hydrogen measurements. Applying the same Maclaurin series and statistical criteria to the 2014 Rosenbluth results on GE from Mainz, we again find that the stepwise regression tends to favor a radius consistent with the muonic hydrogen radius but produces results that are extremely sensitive to the range of data included in the fit. Making use of the high-Q 2 data on G E to select functions which extrapolate to high Q 2 , we find that a Pad´e (N = M = 1) statistical model works remarkably well, as does a dipole function with a 0.84 fm radius, G E (Q 2 ) = (1 + Q 2 /0.66 GeV 2 ) -2 . Conclusions: Rigorous applications of stepwise regression techniques and multivariate error estimates result in the extraction of a proton charge radius that is consistent with the muonic hydrogen result of 0.84 fm; either from linear extrapolation of the extreme low-Q 2 data or by use of the Pad´e approximant for extrapolation using a larger range of data. Thus, based on a purely statistical analysis of electron scattering data, we conclude that the electron scattering result and the muonic hydrogen result are consistent. Lastly, it is the atomic hydrogen results that are the outliers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Uncertainty quantification in application of the enrichment meter principle for nondestructive assay of special nuclear material

The various methods of nondestructive assay (NDA) of special nuclear material (SNM) have applications in nuclear nonproliferation, including detection and identification of illicit SNM at border crossings, and quantifying SNM at nuclear facilities for safeguards. No assay method is complete without “error bars,” which provide one way of expressing confidence in the assay result. Consequently, NDA specialists typically quantify total uncertainty in terms of “random” and “systematic” components, and then specify error bars for the total mass estimate in multiple items. Uncertainty quantification (UQ) for NDA has always been important, but it is recognized that greater rigor is needed and achievable using modern statistical methods. To this end, we describe the extent to which the guideline for expressing uncertainty in measurements (GUM) can be used for NDA. Also, we propose improvements over GUM for NDA by illustrating UQ challenges that it does not address, including calibration with errors in predictors, model error, and item-specific biases. A case study is presented using low-resolution NaI spectra and applying the enrichment meter principle to estimate the U-235 mass in an item. The case study illustrates how to update the current American Society for Testing and Materials guide for application of the enrichment meter principle using gamma spectra from a NaI detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A Double-line M-dwarf Eclipsing Binary from CSS × SDSS

Eclipsing binaries offer a unique opportunity to determine basic stellar properties. With the advent of wide-field camera and all-sky time-domain surveys, thousands of eclipsing binaries have been charted via light curve classification, yet their fundamental properties remain unexplored mainly due to the extensive efforts needed for spectroscopic follow-ups. In this paper, we present the discovery of a short-period ( P = 0.313 day), double-lined M-dwarf eclipsing binary, CSSJ114804.3+255132/SDSSJ114804.35+255132.6, by cross-matching binary light curves from the Catalina Sky Survey and spectroscopically classified M dwarfs from the Sloan Digital Sky Survey. We obtain follow-up spectra using the Gemini telescope, enabling us to determine the mass, radius, and temperature of the primary and secondary component to be M {sub 1} = 0.47 ± 0.03(statistic) ± 0.03(systematic) M {sub ⊙}, M {sub 2} = 0.46 ± 0.03(statistic) ± 0.03(systematic) M {sub ⊙}, R {sub 1} = 0.52 ± 0.08(statistic) ± 0.07(systematic) R {sub ⊙}, R {sub 2} =0.60 ± 0.08(statistic) ± 0.08(systematic) R {sub ⊙}, T {sub 1} = 3560 ± 100 K, and T {sub 2} = 3040 ± 100 K, respectively. The systematic error was estimated using the difference between eccentric and non-eccentric fits. Our analysis also indicates that there is definitively third-light contamination (66%) in the CSS photometry. The secondary star seems inflated, probably due to tidal locking of the close secondary companion, which is common for very short-period binary systems. Future spectroscopic observations with high resolution will narrow down the uncertainties of stellar parameters for both components, rendering this system as a benchmark for studying fundamental properties of M dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗

Data-driven Mori–Zwanzig modeling of Lagrangian particle dynamics in turbulent flows

The dynamics of Lagrangian particles in turbulence play a crucial role in mixing, transport, and dispersion in complex flows. Their trajectories exhibit highly nontrivial statistical behavior, motivating the development of surrogate models that can reproduce these trajectories without incurring the high computational cost of direct numerical simulations of the full Eulerian field. This task is particularly challenging because reduced-order models typically lack access to the full set of interactions with the underlying turbulent field. Novel data-driven machine learning techniques can be powerful in capturing and reproducing complex statistics of the reduced-order/surrogate dynamics. In this work, we show how one can learn a surrogate dynamical system that is able to evolve a turbulent Lagrangian trajectory in a way that is point-wise accurate for short-time predictions (with respect to Kolmogorov time) and stable and statistically accurate at long times. This approach is based on the Mori–Zwanzig formalism, which prescribes a mathematical decomposition of the full dynamical system into resolved dynamics that depend on the current state and the past history of a reduced set of observables, and the unresolved orthogonal dynamics due to unresolved degrees of freedom of the initial state. We show how by training this reduced order model on a point-wise error metric on short time-prediction, we are able to correctly learn the dynamics of Lagrangian turbulence, such that also the long-time statistical behavior is stably recovered at test time. This opens up a range of applications, for example, for the control of active Lagrangian agents in turbulence.

97 MATHEMATICS AND COMPUTING↗

Leveraging transfer learning and leaf spectroscopy for leaf trait prediction with broad spatial, species, and temporal applicability

Accurate and reliable prediction of leaf traits is crucial for understanding plant adaptations to environmental variation, monitoring terrestrial ecosystems, and enhancing comprehension of functional diversity and ecosystem functioning. Currently, various approaches (e.g., statistical, physical models) have been developed to estimate leaf traits through hyperspectral remote sensing and leaf spectroscopy. However, the absence of high-performing, transferable, and stable models across various domains of space, plant functional types (PFTs) and seasons hinder our ability to quantify and comprehend spatiotemporal variations in leaf traits. This study proposes robust and highly transferable models for better predicting leaf traits with hyperspectral reflectance. Initially, three datasets were assembled, pairing common leaf traits — chlorophyll (Chla+b), carotenoids (Ccar), leaf mass per area (LAM), equivalent water thickness (EWT) — with leaf spectra measurements collected across diverse geographic locations in the U.S. and Europe, PFTs, and seasons. Measurements were acquired using spectroradiometers (e.g., ASD FieldSpec 3/4/Pro and SVC HR-1024i) with integrating spheres, leaf clips, and contact probes. Here, we then developed transfer learning-based hybrid models that incorporated the domain knowledge of radiative transfer models (RTMs) through pretraining processes and were well-constrained by fine-tuning with field measurements. Through comparison with other state-of-the-art statistical models, including partial-least squares regression (PLSR) and Gaussian Process Regression (GPR), as well as pure physical models, we found that the proposed transfer learning models achieved better predictive performance and higher transferability. Specifically, compared to other statistical models and pure RTMs, the transfer learning model exhibited higher coefficient of determination (R 2 ) values with range of 0.01 to 0.79, lower normalized root mean square error (NRMSE) with range of 0.06 % to 33.25 % in model performance. Additionally, the models exhibited improved transferability, with higher R 2 values range from 0.04 to 0.32, lower NRMSE range from 0.08 % to 30.81 %. The findings underscore that transfer learning models through integrating domain knowledge from RTMs and limited observations, can harness the advantages of both RTMs and statistical models and serve as a promising approach for effectively predicting leaf traits.

59 BASIC BIOLOGICAL SCIENCES↗

On the utility of GPU accelerated high-order methods for unsteady flow simulations: A comparison with industry-standard tools

First- and second-order accurate numerical methods, implemented for CPUs, underpin the majority of industrial CFD solvers. Whilst this technology has proven very successful at solving steady-state problems via a Reynolds Averaged Navier–Stokes approach, its utility for undertaking scale-resolving simulations of unsteady flows is less clear. High-order methods for unstructured grids and GPU accelerators have been proposed as an enabling technology for unsteady scale-resolving simulations of flow over complex geometries. In this study we systematically compare accuracy and cost of the high-order Flux Reconstruction solver PyFR running on GPUs and the industry-standard solver STAR-CCM+ running on CPUs when applied to a range of unsteady flow problems. Specifically, we perform comparisons of accuracy and cost for isentropic vortex advection (EV), decay of the Taylor–Green vortex (TGV), turbulent flow over a circular cylinder, and turbulent flow over an SD7003 aerofoil. We consider two configurations of STAR-CCM+: a second-order configuration, and a third-order configuration, where the latter was recommended by CD-adapco for more effective computation of unsteady flow problems. Results from both PyFR and STAR-CCM+ demonstrate that third-order schemes can be more accurate than second-order schemes for a given cost e.g. going from second- to third-order, the PyFR simulations of the EV and TGV achieve 75× and 3× error reduction respectively for the same or reduced cost, and STAR-CCM+ simulations of the cylinder recovered wake statistics significantly more accurately for only twice the cost. Moreover, advancing to higher-order schemes on GPUs with PyFR was found to offer even further accuracy vs. cost benefits relative to industry-standard tools.

97 MATHEMATICS AND COMPUTING↗

Estimating uncertainties in statistics computed from direct numerical simulation

Rigorous assessment of uncertainty is crucial to the utility of direct numerical simulation (DNS) results. Uncertainties in the computed statistics arise from two sources: finite statistical sampling and the discretization of the Navier–Stokes equations. Due to the presence of non-trivial sampling error, standard techniques for estimating discretization error (such as Richardson extrapolation) fail or are unreliable. This work provides a systematic and unified approach for estimating these errors. First, a sampling error estimator that accounts for correlation in the input data is developed. Then, this sampling error estimate is used as part of a Bayesian extension of Richardson extrapolation in order to characterize the discretization error. These methods are tested using the Lorenz equations and are shown to perform well. These techniques are then used to investigate the sampling and discretization errors in the DNS of a wall-bounded turbulent flow at Reτ ≈ 180. Both small (Lx/δ × Lz/δ = 4π × 2π) and large (Lx/δ × Lz/δ = 12π × 4π) domain sizes are investigated. For each case, a sequence of meshes was generated by first designing a “nominal” mesh using standard heuristics for wall-bounded simulations. These nominal meshes were then coarsened to generate a sequence of grid resolutions appropriate for the Bayesian Richardson extrapolation method. In addition, the small box case is computationally inexpensive enough to allow simulation on a finer mesh, enabling the results of the extrapolation to be validated in a weak sense. For both cases, it is found that while the sampling uncertainty is large enough to make the order of accuracy difficult to determine, the estimated discretization errors are quite small. This indicates that the commonly used heuristics provide adequate resolution for this class of problems. However, it is also found that, for some quantities, the discretization error is not small relative to sampling error, indicating that the conventional wisdom that sampling error dominates discretization error for this class of simulations needs to be reevaluated.

Oliver, Todd A.↗

Improved estimates of the Milky Way’s stellar mass and star formation rate from hierarchical Bayesian meta-analysis

We present improved estimates of several global properties of the Milky Way, including its current star formation rate (SFR), the stellar mass contained in its disk and bulge+bar components, as well as its total stellar mass. We do so by combining previous measurements from the literature using a hierarchical Bayesian (HB) statistical method that allows us to account for the possibility that any value may be incorrect or have underestimated errors. We show that this method is robust to a wide variety of assumptions about the nature of problems in individual measurements or error estimates. Ultimately, our analysis yields an SFR for the Galaxy of M-dot {sub ⋆}=1.65±0.19 M{sub ⊙} yr{sup −1}, assuming a Kroupa initial mass function (IMF). By combining HB methods with Monte Carlo simulations that incorporate the latest estimates of the Galactocentric radius of the Sun, R{sub 0}, the exponential scale length of the disk, L{sub d}, and the local surface density of stellar mass, Σ{sub ⋆}(R{sub 0}), we show that the mass of the Galactic bulge+bar is M{sub ⋆}{sup B}=0.91±0.07×10{sup 10} M{sub ⊙}, the disk mass is M{sub ⋆}{sup D}=5.17±1.11×10{sup 10} M{sub ⊙}, and their combination yields a total stellar mass of M{sub ⋆}=6.08±1.14×10{sup 10} M{sub ⊙} (assuming a Kroupa IMF and an exponential disk profile). This analysis is based upon a new compilation of literature bulge mass estimates, normalized to common assumptions about the stellar IMF and Galactic disk properties, presented herein. We additionally find a bulge-to-total mass ratio for the Milky Way of B/T=0.150{sub −0.019}{sup +0.028} and a specific SFR of M-dot {sub ⋆}/M{sub ⋆}=2.71±0.59×10{sup −11} yr{sup −1}.

79 ASTRONOMY AND ASTROPHYSICS↗

Calibration of energy density functionals with deformed nuclei

Nuclear density functional theory is the prevalent theoretical framework for accurately describing nuclear properties at the scale of the entire chart of nuclides. Given an energy functional and a many-body scheme (e.g., single- or multireference level), the predictive power of the theory depends strongly on how the parameters of the energy functionals have been calibrated with experimental data. Expanded algorithms and computing power have enabled recent optimization protocols to include data in deformed nuclei in order to optimize the coupling constants of the energy functional. The primary motivation of this work is to test the robustness of such protocols with respect to some of the technical and numerical details of the underlying calculations, especially when the calibration explores a large parameter space. To this end, we quantify the effect of these uncertainties on both the optimization and statistical emulation of composite objective functions. We also emphasize that Bayesian calibration can provide better estimates of the theoretical errors used to define objective functions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Self-replication with magnetic dipolar colloids

Colloidal self-replication represents an exciting research frontier in soft matter physics. Currently, all reported self-replication schemes involve coating colloidal particles with stimuli-responsive molecules to allow switchable interactions. In this paper, we introduce a scheme using ferromagnetic dipolar colloids and preprogrammed external magnetic fields to create an autonomous self-replication system. Interparticle dipole-dipole forces and periodically varying weak-strong magnetic fields cooperate to drive colloid monomers from the solute onto templates, bind them into replicas, and dissolve template complexes. We present three general design principles for autonomous linear replicators, derived from a focused study of a minimalist sphere-dimer magnetic system in which single binding sites allow formation of dimeric templates. We show via statistical models and computer simulations that our system exhibits nonlinear growth of templates and produces nearly exponential growth (low error rate) upon adding an optimized competing electrostatic potential. Lastly, we devise experimental strategies for constructing the required magnetic colloids based on documented laboratory techniques. We also present qualitative ideas about building more complex self-replicating structures utilizing magnetic colloids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SOC Microstructural Property Estimator

This pre-trained ML model is a tool that uses basic compositional parameters for porous solid oxide cell (SOC) electrodes - the phase fractions and mean particle/pore diameters – as inputs and uses them to estimate additional electrochemical performance parameters: active (i.e., connected) TPB density, all tortuosity factors, and phase pair specific interfacial areas. The electrode is assumed to be composed of two solid phases and a pore phase. The property calculations are performed using neural network regression models trained on a large bank of synthetic electrode microstructural data that NETL has generated using the program DREAM3D (that bank is also hosted on EDX: https://edx.netl.doe.gov/dataset/soc-synthetic-microstructure-bank). This means the generated parameters are based on training from actual measured properties from 3D microstructures, not estimated from geometric simplifications. This tool was developed and is intended to replace percolation theory calculations in models that use hypothetical electrode properties. An example use case would be running SOC performance simulations across a parametric sweep of electrode designs (e.g., varying phase fractions and particle sizes) and assessing how it impacts the electrochemical performance of the SOC. Within the parameter space of the training data (statistics of that parameter space is provided in the readme file), this model achieves sub-5% mean absolute percent errors, an order of magnitude less error than percolation theory across the same parameter space. However, be aware that this tool was developed with parametric simulations in mind, and users are encouraged to assess accuracy for their own specific use case rather than taking accuracy metrics at face value. More info, including a usage guide, is in the included readme file. This tool should be cited with the DOI number provided.

Electrode Microstructure↗

Advanced Small Modular Reactor Economics Model Development

The US Department of Energy Office of Nuclear Energy’s Advanced Small Modular Reactor (SMR) research and development activities focus on four key areas: Developing assessment methods for evaluating advanced SMR technologies and characteristics; and Developing and testing of materials, fuels and fabrication techniques; and Resolving key regulatory issues identified by US Nuclear Regulatory Commission and industry; and Developing advanced instrumentation and controls and human-machine interfaces. This report focuses on development of assessment methods to evaluate advanced SMR technologies and characteristics. Specifically, this report describes the expansion and application of the economic modeling effort at Oak Ridge National Laboratory. Analysis of the current modeling methods shows that one of the primary concerns for the modeling effort is the handling of uncertainty in cost estimates. Monte Carlo–based methods are commonly used to handle uncertainty, especially when implemented by a stand-alone script within a program such as Python or MATLAB. However, a script-based model requires each potential user to have access to a compiler and an executable capable of handling the script. Making the model accessible to multiple independent analysts is best accomplished by implementing the model in a common computing tool such as Microsoft Excel. Excel is readily available and accessible to most system analysts, but it is not designed for straightforward implementation of a Monte Carlo–based method. Using a Monte Carlo algorithm requires in-spreadsheet scripting and statistical analyses or the use of add-ons such as Crystal Ball. An alternative method uses propagation of error calculations in the existing Excel-based system to estimate system cost uncertainty. This method has the advantage of using Microsoft Excel as is, but it requires the use of simplifying assumptions. These assumptions do not necessarily bring into question the analytical results. In fact, the analysis shows that the propagation of error method introduces essentially negligible error, especially when compared to the uncertainty associated with some of the estimates themselves. The results of these uncertainty analyses generally quantify and identify the sources of uncertainty in the overall cost estimation. The obvious generalization—that capital cost uncertainty is the main driver—can be shown to be an accurate generalization for the current state of reactor cost analysis. However, the detailed analysis on a component-by-component basis helps to demonstrate which components would benefit most from research and development to decrease the uncertainty, as well as which components would benefit from research and development to decrease the absolute cost.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗