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At least 613 records · Page 34

Classification of Nuclear Reactor Operations Using Spatial Importance and Multisensor Networks

Distributed multisensor networks record multiple data streams that can be used as inputs to machine learning models designed to classify operations relevant to proliferation at nuclear reactors. The goal of this work is to demonstrate methods to assess the importance of each node (a single multisensor) and region (a group of proximate multisensors) to machine learning model performance in a reactor monitoring scenario. This, in turn, provides insight into model behavior, a critical requirement of data-driven applications in nuclear security. Using data collected at the High Flux Isotope Reactor at Oak Ridge National Laboratory via a network of Merlyn multisensors, two different models were trained to classify the reactor’s operational state: a hidden Markov model (HMM), which is simpler and more transparent, and a feed-forward neural network, which is less inherently interpretable. Traditional wrapper methods for feature importance were extended to identify nodes and regions in the multisensor network with strong positive and negative impacts on the classification problem. These spatial-importance algorithms were evaluated on the two different classifiers. The classification accuracy was then improved relative to baseline models via feature selection from 0.583 to 0.839 and from 0.811 ± 0.005 to 0.884 ± 0.004 for the HMM and feed-forward neural network, respectively. While some differences in node and region importance were observed when using different classifiers and wrapper methods, the nodes near the facility’s cooling tower were consistently identified as important—a conclusion further supported by studies on feature importance in decision trees. Node and region importance methods are model-agnostic, inform feature selection for improved model performance, and can provide insight into opaque classification models in the nuclear security domain.

Tibbetts, Jake↗

Frame invariant neural network closures for Kraichnan turbulence

Numerical simulations of geophysical and atmospheric flows have to rely on parameterizations of subgrid scale processes due to their limited spatial resolution. Despite substantial progress in developing parameterization (or closure) models for subgrid scale (SGS) processes using physical insights and mathematical approximations, they remain imperfect and can lead to inaccurate predictions. In recent years, machine learning has been successful in extracting complex patterns from high-resolution spatio-temporal data, leading to improved parameterization models, and ultimately better coarse grid prediction. However, the inability to satisfy known physics and poor generalization hinders the application of these models for real-world problems. In this work, we put forth a frame invariant closure approach to improve the accuracy and generalizability of deep learning-based subgrid scale closure models by embedding physical symmetries directly into the structure of the neural network. Specifically, we utilized specialized layers within the convolutional neural network in such a way that desired constraints are theoretically guaranteed without the need for any regularization terms. We demonstrate our framework for a two-dimensional decaying turbulence test case mostly characterized by the forward enstrophy cascade. We show that our frame invariant SGS model (i) accurately predicts the subgrid scale source term, (ii) respects the physical symmetries such as translation, Galilean, and rotation invariance, and (iii) is numerically stable when implemented in coarse-grid simulation with generalization to different initial conditions and Reynolds number. This work opens up a possibility of connecting physics-based theories and data-driven modeling paradigms, and thus represents a promising step towards the development of physically consistent data-driven turbulence closure models.

42 ENGINEERING↗

Prediction of Self-Diffusion in Binary Fluid Mixtures Using Artificial Neural Networks

Artificial neural networks (ANNs) were developed to accurately predict the self-diffusion constants for individual components in binary fluid mixtures. The ANNs were tested on an experimental database of 4328 self-diffusion constants from 131 mixtures containing 75 unique compounds. The presence of strong hydrogen bonding molecules may lead to clustering or dimerization resulting in non-linear diffusive behavior. To address this, self- and binary association energies were calculated for each molecule and mixture to provide information on intermolecular interaction strength and were used as input features to the ANN. An accurate, generalized ANN model was developed with an overall average absolute deviation of 4.1%. Forward input feature selection reveals the importance of critical properties and self-association energies along with other fluid properties. Additional ANNs were developed with subsets of the full input feature set to further investigate the impact of various properties on model performance. The results from two specific mixtures are discussed in additional detail: one providing an example of strong hydrogen bonding and the other an example of extreme pressure changes, with the ANN models predicting self-diffusion well in both cases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Hierarchical Bayesian modeling for Inverse Uncertainty Quantification of system thermal-hydraulics code using critical flow experimental data

The best estimate plus uncertainty methodology in nuclear system thermal-hydraulic studies necessitates a comprehensive understanding of uncertainties in system code predictions. The forward uncertainty quantification (UQ) process involves the propagation of input uncertainties through the computational models to obtain uncertainties in the outputs. To this end, achieving an accurate estimation of input uncertainties is important, which is the focus of inverse UQ (IUQ). Traditionally, research in Bayesian IUQ within the nuclear engineering domain has largely relied on single-level Bayesian inference. While being effective for relatively small datasets, this approach encounters limitations for cases with large datasets. The use of a single-level model may prove inefficient, as the resultant posterior distributions can significantly differ when distinct subsets of data are employed. To address this issue, we employ an hierarchical Bayesian model for IUQ. Furthermore, this approach involves organizing observations into different groups based on the test conditions, thereby accommodating varying calibration parameters across these distinct groups. In this study, we developed and implemented a hierarchical Bayesian IUQ method to consider the grouping effect of critical flow measurement data from various geometries. Comparing the outcomes of IUQ under different selections of test data using hierarchical Bayesian IUQ against those obtained from single-level Bayesian IUQ, the forward propagation of hierarchical Bayesian IUQ results demonstrates a notably improved agreement with the experimental data.

42 ENGINEERING↗

Thermal Stability of π-Conjugated n -Ethylene-Glycol-Terminated Quaterthiophene Oligomers: A Computational and Experimental Study

This work represents a joint computational and experimental study on a series of $\textit{n}$-ethylene glycol (PEO$\textit{n}$)-terminated quaterthiophene (4T) oligomers for 1 < $\textit{n}$ < 10 to elucidate their self-assembly behavior into a smectic-like lamellar phase. This study builds on an earlier study for $\textit{n}$ = 4 that showed that our model predictions were consistent with experimental data on the melting behavior and structure of the lamellar phase, with the latter consisting of crystal-like 4T domains and liquid-like PEO4 domains. The present study aims to understand how the length of the terminal PEO$\textit{n}$ chains modulates the disordering temperature of the lamellar phase and hence the relative stability of the ordered structure. In this work, a simplified bilayer model, where the 4T domains are not explicitly described, is put forward to efficiently estimate the disordering effect of the PEO domains with increasing n; this method is first validated by correctly predicting that layers of alkyl (PE)-capped 4T oligomers (for 1 < $\textit{n}$ < 10) stay ordered at room temperature. Both 4T-domain implicit and explicit model simulations reveal that the order-disorder temperature decreases with the length of the PEO capping chains, as the associated increase in conformational entropy drives a tendency toward disorder that overtakes the cohesive energy, keeping the ordered packing of the 4T domains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Searching for neutrino self-interactions at future muon colliders

Multi-TeV muon colliders offer a powerful means of accessing new physics coupled to muons while generating clean and intense high-energy neutrino beams via muon decays. We study a fixed-target experiment leveraging the neutrino beams and a forward detector pointing at the interaction point of the muon collider. The sensitivity to neutrino self-interactions is analyzed as a feasibility study, focusing on the leptonic scalar ϕ exclusively coupled to the Standard Model neutrinos. Our work shows that projections from both the main and forward detectors can enhance the existing limits by two orders of magnitude, surpassing other future experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Physics-informed machine learning of the correlation functions in bulk fluids

The Ornstein–Zernike (OZ) equation is the fundamental equation for pair correlation function computations in the modern integral equation theory for liquids. In this work, machine learning models, notably physics-informed neural networks and physics-informed neural operator networks, are explored to solve the OZ equation. The physics-informed machine learning models demonstrate great accuracy and high efficiency in solving the forward and inverse OZ problems of various bulk fluids. The results highlight the significant potential of physics-informed machine learning for applications in thermodynamic state theory.

97 MATHEMATICS AND COMPUTING↗

Challenges and Potential of Waveform Modeling for Crustal Scale Predictions

Waveform modeling is crucial to improving our understanding of observed seismograms. Forward simulation of wavefields provides quantitative methods of testing interactions between complicated source functions and the propagation medium. Here, we discuss three experiments designed to improve under standing of high frequency seismic wave propagation. First, we compare observed and predicted travel times of crustal phases for a set of real observed earthquakes with calculations and synthetic seismograms. Second, we estimate the frequency content of a series of nearly co-located earthquakes of varying magnitude for which we have a relatively well- known 1D velocity model. Third, we apply stochastic perturbations on top of a 3D tomographic model and qualitatively assess how those variations map to differences in the seismograms. While different in scope and aim, these three vignettes illustrate the current state of crustal scale waveform modeling and the potential for future studies to better constrain the structure of the crust.

58 GEOSCIENCES↗

Human–mouse comparison of the multistage nature of radiation carcinogenesis in a mathematical model

Abstract Mouse models are vital for assessing risk from environmental carcinogens, including ionizing radiation, yet the interspecies difference in the dose response precludes direct application of experimental evidence to humans. Herein, we take a mathematical approach to delineate the mechanism underlying the human–mouse difference in radiation‐related cancer risk. We used a multistage carcinogenesis model assuming a mutational action of radiation to analyze previous data on cancer mortality in the Japanese atomic bomb survivors and in lifespan mouse experiments. Theoretically, the model predicted that exposure will chronologically shift the age‐related increase in cancer risk forward by a period corresponding to the time in which the spontaneous mutational process generates the same mutational burden as that the exposure generates. This model appropriately fitted both human and mouse data and suggested a linear dose response for the time shift. The effect per dose decreased with increasing age at exposure similarly between humans and mice on a per‐lifespan basis (0.72‐ and 0.71‐fold, respectively, for every tenth lifetime). The time shift per dose was larger by two orders of magnitude in humans (7.8 and 0.046 years per Gy for humans and mice, respectively, when exposed at ~35% of their lifetime). The difference was mostly explained by the two orders of magnitude difference in spontaneous somatic mutation rates between the species plus the species‐independent radiation‐induced mutation rate. Thus, the findings delineate the mechanism underlying the interspecies difference in radiation‐associated cancer mortality and may lead to the use of experimental evidence for risk prediction in humans.

Oncology↗

Selenium interaction with iron minerals: Quantitative comparison of sorption and coprecipitation impacts on mobility

Given the significance of selenium (Se) as a micronutrient, the radioactive nature of some of its isotopes, and its affinity to iron (Fe) minerals, extensive research has been conducted on the sorption mechanisms between Se and these minerals. Here, in this study, we employ sorption data sourced from the L-SCIE database and coprecipitation data from available literature to achieve the following objectives: i) establish coherence between adsorption and coprecipitation processes, ii) quantitatively evaluate the importance of these processes in nuclear waste repository science, and iii) propose a forward-looking approach for integrating coprecipitation into reactive transport models. Our findings indicate that a correlation between Se adsorption and coprecipitation can be established using the λ formalism. The comparable log(λ Se(IV) /λ Se(VI) ) ratios derived from adsorption and coprecipitation experiments suggest that these processes can be quantitatively compared and evaluated using our numerical approach. Across all iron oxide phases examined, coprecipitation leads to significantly greater immobilization of Se compared to adsorption. Specifically, for hydrous ferric oxide, hematite, and goethite, coprecipitation is predicted to result in 100–1000 times more Se immobilization compared to adsorption, irrespective of the Se oxidation state (Se(IV) or Se(VI)); notably stronger immobilization potential via coprecipitation was observed for magnetite. The modeling approach and quantitative analysis presented herein clearly highlight the importance of including coprecipitation processes when simulating Se (and other elements) transport, particularly under conditions where mineral compositions are transient or evolving with time. Neglecting coprecipitation in models is likely to lead to significant overestimates of migration.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Determining the Reaction Kinetics and Thermodynamics of a Diels–Alder Network Using Dynamic Gel Criteria

We undertook a detailed rheological investigation to evaluate the kinetic parameters of the forward and reverse Diels–Alder (DA) reactions of a model network cross-linked using a furan prepolymer and a common aromatic bismaleimide. At high temperature where the Winter–Chambon’s criterion of frequency-independence was more applicable, a multiwave technique permitted van’t Hoff analysis and calculation of the reaction thermodynamic parameters, specifically the enthalpy and entropy of the reaction: ΔH° = –38.3 ± 5.2 kJ mol –1 and ΔS° = –94.3 ± 13.4 J mol –1 . At mild temperatures where the G'–G" crossover point is experimentally convenient to measure gelation, isothermal tests were used to obtain reasonable fDA kinetic parameters from Eyring analysis such as the apparent activation enthalpy and entropy of ΔH$^{‡}_{fDA}$ = 76.8 ± 6.9 kJ mol –1 and ΔS$^{‡}_{fDA}$= –82.8 ± 22.2 J mol –1 K –1 . Comparable rheokinetic methods include cross-linking density measurements and stress relaxation tests to calculate effective kinetics, whereas the critical gel conversion was consistently applied here. As a result, rate data are fitted with the Arrhenius equation for comparison purposes and the Eyring equation to demonstrate its broader utility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Learning stochastic dynamics and predicting emergent behavior using transformers

We show that a neural network originally designed for language processing can learn the dynamical rules of a stochastic system by observation of a single dynamical trajectory of the system, and can accurately predict its emergent behavior under conditions not observed during training. We consider a lattice model of active matter undergoing continuous-time Monte Carlo dynamics, simulated at a density at which its steady state comprises small, dispersed clusters. We train a neural network called a transformer on a single trajectory of the model. The transformer, which we show has the capacity to represent dynamical rules that are numerous and nonlocal, learns that the dynamics of this model consists of a small number of processes. Forward-propagated trajectories of the trained transformer, at densities not encountered during training, exhibit motility-induced phase separation and so predict the existence of a nonequilibrium phase transition. Transformers have the flexibility to learn dynamical rules from observation without explicit enumeration of rates or coarse-graining of configuration space, and so the procedure used here can be applied to a wide range of physical systems, including those with large and complex dynamical generators.

97 MATHEMATICS AND COMPUTING↗

Measurement of the weak mixing angle at 13 TeV with the CMS detector

This document summarizes work in experimental high-energy physics completed as part of the author’s doctoral studies. The central piece of this thesis is the precision measurement of the effective weak mixing angle at the CMS detector. The effective weak mixing angle is a key parameter in the standard model of particle physics and is sensitive to radiative corrections from beyond standard model physics. The measurement is made by using the forward backwards asymmetry of Drell-Yan dilepton pairs. The data is from proton proton collisions at √s =13 TeV collected in Run 2 of the LHC from 2016-2018. The measurement uses dimuon and dielectron pairs and includes a special class of forward electrons developed for this measurement that do not rely on the tracking subdetector. Using the CT18Z parton distribution function set the weak mixing angle was determined to be [equation did not render] The largest contribution to the uncertainty comes from the parton distribution functions.

Taus, Rhys [Rochester U.]↗

Drivers of coupled climate model biases in representing Labrador Sea convection

Abstract This study investigates the representation of ocean convection in the Labrador Sea in seven Earth System Models (ESMs) from the Coupled Model Intercomparison Project Phase 5 and 6 datasets. The relative role of the oceanic and atmospheric biases in the subpolar North Atlantic gyre are explored using regional ocean simulations where the atmospheric forcing or the ocean initial and boundary conditions are replaced by reanalysis data in the absence of interactive air-sea coupling. Commonalities and differences among model behaviors are discussed with the objective of finding a pathway forward to improve the representation of the ocean mean state and variability in a region of fundamental importance for climate variability and change. Results highlight that an improved representation of ocean stratification in the North Atlantic subpolar gyre is urgently needed to constrain future climate change projections. While improving the ocean model resolution in the North Atlantic alone may contribute a better representation of both boundary currents and propagation of heat and freshwater anomalies into the Labrador Sea, it may not be sufficient. Addressing the atmospheric heat flux bias with better resolution in the atmosphere and land topography may allow for deep convection to occur in the Labrador Sea in some of the models that miss it entirely, but the greatest priority remains improving the representation of ocean stratification.

Liu, Guangpeng↗

Classical and quantum evolution in a simple coherent neutrino problem

The extraordinary neutrino flux produced in extreme astrophysical environments like the early Universe, core-collapse supernovae and neutron star mergers may produce coherent quantum neutrino oscillations on macroscopic length scales. The Hamiltonian describing this evolution can be mapped into quantum spin models with all-to-all couplings arising from neutrino-neutrino forward scattering. To date many studies of these oscillations have been performed in a mean-field limit where the neutrinos time evolve in a product state. In this paper we examine a simple two-beam model evolving from an initial product state and compare the mean-field and many-body evolution. The symmetries in this model allow us to solve the real-time evolution for the quantum many-body system for hundreds or thousands of spins, far beyond what would be possible in a more general case with an exponential number (2 N ) of quantum states. We compare mean-field and many-body solutions for different initial product states and ratios of one- and two-body couplings, and find that in all cases in the limit of infinite spins the mean-field (product state) and many-body solutions coincide for simple observables. This agreement can be understood as a consequence of the fact that the typical initial condition represents a very local but dense distribution about a mean energy in the spectrum of the Hamiltonian. We explore quantum information measures like entanglement entropy and purity of the many-body solutions, finding intriguing relationships between the quantum information measures and the dynamical behavior of simple physical observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

PyApprox: A software package for sensitivity analysis, Bayesian inference, optimal experimental design, and multi-fidelity uncertainty quantification and surrogate modeling

PyApprox is a Python-based one-stop-shop for probabilistic analysis of numerical models such as those used in the earth, environmental and engineering sciences. Easy to use and extendable tools are provided for constructing surrogates, sensitivity analysis, Bayesian inference, experimental design, and forward uncertainty quantification. The algorithms implemented represent a wide range of methods for model analysis developed over the past two decades, including recent advances in multi-fidelity approaches that use multiple model discretizations and/or simplified physics to significantly reduce the computational cost of various types of analyses. An extensive set of Benchmarks from the literature is also provided to facilitate the easy comparison of new or existing algorithms for a wide range of model analyses. Here, this paper introduces PyApprox and its various features, and presents results demonstrating the utility of PyApprox on a benchmark problem modeling the advection of a tracer in groundwater.

54 ENVIRONMENTAL SCIENCES↗

Dark SRF, a cavity-based search for the Dark Photon: new exclusion limit and path forward

The dark photon is a hypothesized particle in extension to the Standard Model (SM) that would weakly interact with ordinary SM photons. An effective way to search for hidden sector photons in a laboratory set up is through light-shining-through-wall (LSW) schemes.We present here the first results of Dark SRF, a LSW experiment that leverages ultra-high quality factor superconducting radio frequency (SRF) cavities to search for dark photons. The use of Nb SRF cavities combined with a strict calibration and measurement protocol increased sensitivity to dark photons by several orders of magnitude compared to other LSW experiments, as demonstrated by our new exclusion limit on the dark photon mixing angle.In addition to the results of the search conducted in liquid helium using 1.3GHz SRF cavities, we also present the first steps of the second phase of the experiment, which will take place in a dilution refrigerator using 2.6GHz SRF cavities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗