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At least 1,747 records · Page 97

Connected and leading disconnected hadronic light-by-light contribution to the muon anomalous magnetic moment with a physical pion mass

We report a lattice QCD calculation of the hadronic light-by-light contribution to the muon anomalous magnetic moment at a physical pion mass. The calculation includes the connected diagrams and the leading, quark-line-disconnected diagrams. We incorporate algorithmic improvements developed in our previous work. The calculation was performed on the 48 3 × 96 ensemble generated with a physical pion mass and a 5.5 fm spatial extent by the RBC and UKQCD Collaborations using the chiral, domain wall fermion formulation. We find a HLbL μ = 5.35(1.35) × 10 –10 , where the error is statistical only. The finite-volume and finite lattice-spacing errors could be quite large and are the subject of ongoing research. Finally, the omitted disconnected graphs, while expected to give a correction of order 10%, also need to be computed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Miniaturized Magnetoelastic Sensor System

This article describes the design, assembly, and implementation of a hand-held, magnetic-field-based sensor system that can be adapted for a variety of sensing applications. The miniaturized system is based on Chemical Identification by Magneto-Elastic Sensing (ChIMES) technology, which uses three concentric solenoid coils to wirelessly interrogate a sensor body comprised of a response material coupled to a magnetoelastic wire. The response material expands when it encounters a target, imposing mechanical stress on the wire and altering its magnetic permeability. The sensor bodies are passive, requiring no external power source, and they are small, measuring about 15 mm in length and 3.0 mm in diameter. Up to four sensor bodies can be configured as an evenly-spaced linear array. The sensor system operates by applying a low-frequency, current-stabilized, filtered triangle wave to a uniform-density excitation coil to switch the magnetic domains within the wire. Further, the responses from the sensors are picked up by a detection coil as stress-induced changes in the Faraday voltage, and the strong magnetic field induced by the excitation coil in the detection coil is nullified by a cancellation coil reverse-wound in series with the detection coil. The responses of the sensors in an array are separated in time by a linear gradient dc biasing coil. The sensors can be interrogated through metallic and nonmetallic barriers. The signals from the detection coil and the excitation coil are digitized by a pair of bipolar analog-to-digital converters (ADCs). A Raspberry Pi single-board computer (SBC) and associated software perform data acquisition and control all aspects of the sensor system hardware. The program allows the user to select the number of sensors in the array, the type of signal that is being collected, and the number of samples to take. The program also allows for signal processing of the sensor data, such as baseline correction. The program can differentiate sensor peaks from each other and calculate the magnitude of each sensor response with less than 1% error. The data are then displayed along with a graph of the signal.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Learning-Based Quantum Compilation: Translating QASM to QIR with CodeBERT

We propose a learning-based approach to quantum compilation by translating OpenQASM to Quantum Intermediate Representation (QIR) using a fine-tuned CodeBERT model. Trained on 10,000 synthetic QASM-QIR pairs, the model captures code semantics while addressing QIR verbosity and the 512-token limit via a custom token compression scheme. Finetuning was performed on the Frontier supercomputer, with results showing syntactic correctness and stable validation loss reduction. Our method moves toward enabling flexible, language-modeldriven quantum software tools. It also introduces syntax error handling and the possibility of incorporating classical control constructs, addressing limitations in existing rule-based compilers like qBraid-QIR. While the current model has been validated on quantum-only circuits, we propose future evaluations on hybrid quantum-classical examples. This poster will provide architecture insights, compression examples, training loss plots, and QIR outputs. Our work highlights the potential for scalable, adaptable compilation in future quantum toolchains.

Afrose, Sharmin [ORNL]↗

Electrochemical Characterization of Dissolved Oxides in Molten FLiNaK

Molten fluoride salts have long been the subject of investigation given their application in a variety of industrial processes. Oxides are a common exogeneous impurity within these systems, and can lead to many operational and regulatory concerns. In recent studies, the electro-oxidation of dissolved metallic oxides has been attributed to a single step oxygen evolution reaction despite voltametric evidence suggesting otherwise. Here, we first use square wave voltammetry to confirm that the oxidation of dissolved oxides in fluorides proceeds via a two-electron transfer reaction and then demonstrate that the presence of a peroxide-mediated redox reaction better explains the electrochemical data. Numerical simulations were then used to support the determination of improved diffusion coefficients to enable electroanalytical measurements of the oxide concentration across at a variety of temperatures. A linear Arrhenius relationship was observed when the experimental data was corrected for ohmic resistance effects. Concentration measurements using the corrected square wave voltammetry data demonstrated high accuracy across a large range of concentrations, while the uncorrected data showed plateauing and high errors. In total, this work serves to rectify previously misconstrued electrochemical data of oxides in molten salts and demonstrate how accurate, in situ concentration measurements can be achieved in real-world systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

CFDverify

Estimating the discretization error of computational fluid dynamics (CFD) or other scientific codes as part of solution verification is often a non-trivial part of the analysis process. Methods can be complicated and may include assumptions/qualifications that need to be checked during analysis. CFD analysts, therefore, are likely to make errors when trying to conduct this necessary analysis on their own in not knowing about the best method for their problem, not correctly implementing a method, or in not have diagnostic tools to determine if the method was correctly applied.

Weinmeister, Justin [Oak Ridge National Laboratory↗

Code and Solution Verification Assessment of the CTF Thermal Hydraulic Subchannel Code

CTF is a thermal-hydraulics subchannel code jointly developed by Oak Ridge National Laboratory and North Carolina State University. Over the past seven years, the Consortium for Advanced Simulation of Light Water Reactors (CASL) has made a significant investment in developing CTF so it can be used to model light water reactors, including nominal operating conditions, departure from nucleate boiling analysis, and transients ranging from loss of flow to reactivity insertion accidents. In addition to implementing new modeling capabilities and developing the user input and output interface, extensive work has been performed to improve the code’s quality assurance program, resulting in a development process that conforms with NQA-1 requirements. The CASL program follows the Predictive Capability Maturity Model (PCMM) approach for assessing code quality, which emphasizes performing code verification(ensuring the code converges to the correct answer) and solution verification (ensuring the code converges for the intended application). Code and solution verification are used to identify uncertainty errors introduced by numerical approximations in the code and are important for demonstrating that the model is coded without error, which is an important aspect of the Best Estimate plus Uncertainty method. This paper presents a comprehensive overview of the code and solution verification testing that has been performed on CTF. A top-down approach is taken in which the intended CTF applications are presented, followed by the code features required for their modeling. These features are then linked to the applicable code and solution verification tests that demonstrate proper functioning. Past testing efforts are summarized, and new tests are added to help close gaps in the presented test matrix. Rather than performing “one-off” exercises, these tests are added to the automated CTF regression test suite to ensure continual code quality.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Remaining Useful Strength (RUS) Prediction of SiCf-SiCm Composite Materials Using Deep Learning and Acoustic Emission

Prognosis techniques for prediction of remaining useful life (RUL) are of crucial importance to the management of complex systems for they can lead to appropriate maintenance interventions and improvements in reliability. While various data-driven methods have been introduced to predict the remaining useful life (RUL) of machinery systems or batteries, no research has been reported on the remaining useful strength (RUS) prediction of silicon carbide fiber reinforced silicon carbide matrix (SiCf-SiCm) materials with pivotal role in its potential usage as a structural material in nuclear reactors and turbine engines. Knowledge of its degradation process is of the utmost importance to the manufacturers. For this purpose, two approaches based on the machine-learning techniques of random-forest (RF) and convolutional neural network (CNN) are proposed to predict the RUS of SiCf-SiCm using only acoustic emission (AE) signals generated during the material’s stress applying process. Experimental results show that the CNN models achieved better predictive performance than the RF models but the latter with expert-engineered features achieves better prediction for AE signals in the early stage of degradation. Additionally, our results demonstrate that both models can correctly predict the SiCf-SiCm RUS as evaluated by our robust testing method from which the best average root mean square error (RMSE) and Pearson correlation coefficient of 3.55 ksi units and 0.85 were obtained.

36 MATERIALS SCIENCE↗

DEMONSTRATION OF A DATA-DRIVEN PHYSICS-BASED APPROACH FOR COMPUTATIONALLY EFFICIENT CFD PREDICTION OF TWO-PHASE BUBBLY FLOW

To realize efficient computational fluid dynamics (CFD) prediction of two-phase flow, a multi-scale physics-guided data-driven approach, Feature Similarity Measurement (FSM) technique was developed for error estimation in two-phase flow simulation using coarse-mesh CFD, to achieve a comparable accuracy as fine-mesh simulations with fast-running feature. By defining physics-guided parameters and variable gradients as physical features, FSM has the capability to capture the underlying local patterns in the coarse-mesh CFD simulation. Massive low-fidelity data and respective high-fidelity data are used to explore the underlying information relevant to the main simulation errors and the effects of phenomenological scaling. By learning from previous simulation data, a surrogate model using deep feedforward neural network (DFNN) can be developed and trained to estimate the simulation error of coarse-mesh CFD. In a demonstration case of two-phase bubbly flow, the DFNN model well captured and corrected the unphysical “peaks” in the velocity and void fraction profiles near the wall in the coarse-mesh configuration, even for extrapolative predictions. The research documented supports the feasibility of the physics-guided deep learning methods for coarse mesh CFD simulations which has a potential for the efficient industrial design.

42 ENGINEERING↗

Lifting primordial non-Gaussianity above the noise

Primordial non-Gaussianity (PNG) in Large Scale Structures is obfuscated by the many additional sources of non-linearity. Within the Effective Field Theory approach to Standard Perturbation Theory, we show that matter non-linearities in the bispectrum can be modeled sufficiently well to strengthen current bounds with near future surveys, such as Euclid. We find that the EFT corrections are crucial to this improvement in sensitivity. Yet, our understanding of non-linearities is still insufficient to reach important theoretical benchmarks for equilateral PNG, while, for local PNG, our forecast is more optimistic. We consistently account for the theoretical error intrinsic to the perturbative approach and discuss the details of its implementation in Fisher forecasts.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH{sub 4} system

We report a permutationally invariant global potential energy surface (PES) for the H + CH{sub 4} system based on ∼63 000 data points calculated at a high ab initio level (UCCSD(T)-F12a/AVTZ) using the recently proposed permutation invariant polynomial-neural network method. The small fitting error (5.1 meV) indicates a faithful representation of the ab initio points over a large configuration space. The rate coefficients calculated on the PES using tunneling corrected transition-state theory and quasi-classical trajectory are found to agree well with the available experimental and previous quantum dynamical results. The calculated total reaction probabilities (J{sub tot} = 0) including the abstraction and exchange channels using the new potential by a reduced dimensional quantum dynamic method are essentially the same as those on the Xu-Chen-Zhang PES [Chin. J. Chem. Phys. 27, 373 (2014)].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Geometric Interpretation of the Cluster Location Problem Part I: Theory

We present a new framing of the seismic location problem using principles drawn from differential geometry. Our interpretation relies upon the common assumption that travel times observed across a network are continuous, differentiable functions of source location. In consequence, travel‐time functions constitute a differentiable map between the source region and a Riemannian manifold. The manifold is said to be the image of the source region embedded in a generally high‐dimension travel‐time vector space. A cluster of events in the source region has an image of discrete points on the manifold, that, except in the simplest cases, cannot be viewed directly. However, it is possible to project the image of a cluster into a tangent space of the manifold for direct visualization. The projection operator can be computed directly from the data without a velocity model, but produces a distorted rendering of the cluster geometry. With a model we can predict the distortions and correct them to estimate cluster geometry. We develop these points with the simplest possible example, one for which direct visualization of the manifold is possible, using the example as an introduction to the relevant concepts from differential geometry in a familiar setting. The tangent space, a local linearization of the manifold, plays a key role. We develop a metric to estimate the limits of linearization, that is, to determine when the curvature of the manifold invalidates the linear assumption. We also examine the interplay of model error, inadequate network geometry, and pick error. We then generalize our results from the simple case to the general case of 3D source regions observed by general networks. Although we do suggest a new “project and correct” method for location, we do not develop it into a practical algorithm. In conclusion, our intention rather is to highlight new analytical methods grounded in differential geometry.

East Pacific Ocean Islands↗

Quantifying the Impact of Single Bit Flips on Floating Point Arithmetic

In high-end computing, the collective surface area, smaller fabrication sizes, and increasing density of components have led to an increase in the number of observed bit flips. If mechanisms are not in place to detect them, such flips produce silent errors, i.e. the code returns a result that deviates from the desired solution by more than the allowed tolerance and the discrepancy cannot be distinguished from the standard numerical error associated with the algorithm. These phenomena are believed to occur more frequently in DRAM, but logic gates, arithmetic units, and other circuits are also susceptible to bit flips. Previous work has focused on algorithmic techniques for detecting and correcting bit flips in specific data structures, however, they suffer from lack of generality and often times cannot be implemented in heterogeneous computing environment. Our work takes a novel approach to this problem. We focus on quantifying the impact of a single bit flip on specific floating-point operations. We analyze the error induced by flipping specific bits in the most widely used IEEE floating-point representation in an architecture-agnostic manner, i.e., without requiring proprietary information such as bit flip rates and the vendor-specific circuit designs. We initially study dot products of vectors and demonstrate that not all bit flips create a large error and, more importantly, expected value of the relative magnitude of the error is very sensitive on the bit pattern of the binary representation of the exponent, which strongly depends on scaling. Our results are derived analytically and then verified experimentally with Monte Carlo sampling of random vectors. Furthermore, we consider the natural resilience properties of solvers based on the fixed point iteration and we demonstrate how the resilience of the Jacobi method for linear equations can be significantly improved by rescaling the associated matrix.

Elliott, James J.↗

Calibration of Ultraviolet, Mid-infrared, and Radio Star Formation Rate Indicators

We present calibrations for star formation rate (SFR) indicators in the ultraviolet, mid-infrared, and radio-continuum bands, including one of the first direct calibrations of 150 MHz as an SFR indicator. Our calibrations utilize 66 nearby star-forming galaxies with Balmer-decrement-corrected Hα luminosities, which span five orders of magnitude in SFR and have absolute magnitudes of −24<M{sub r}<−12. Most of our photometry and spectrophotometry are measured from the same region of each galaxy, and our spectrophotometry has been validated with SDSS photometry, so our random and systematic errors are small relative to the intrinsic scatter seen in SFR indicator calibrations. We find that the Wide-field Infrared Space Explorer W4 (22.8 μm), Spitzer 24 μm, and 1.4 GHz bands have tight correlations with the Balmer-decrement-corrected Hα luminosity, with a scatter of only 0.2 dex. Our calibrations are comparable to those from the prior literature for L {sup ∗} galaxies, but for dwarf galaxies, our calibrations can give SFRs that are far greater than those derived from most previous literature.

79 ASTRONOMY AND ASTROPHYSICS↗

ALMA Band-to-band Phase Referencing: Imaging Capabilities on Long Baselines and High Frequencies

High-frequency long-baseline experiments with the Atacama Large Millimeter/submillimeter Array were organized to test the high angular resolution imaging capabilities in the submillimeter wave regime using baselines up to 16 km. Four experiments were conducted, two Band 7 (289 GHz) and two Band 8 (405 GHz) observations. Phase correction using band-to-band (B2B) phase referencing was used with a phase calibrator only [[Formula]] away observed in Band 3 (96 GHz) and Band 4 (135 GHz), respectively. In Band 8, we achieved the highest resolution of 14 × 11 mas. We compared the synthesis images of the target quasar using 20 and 60 s switching cycle times in the phase referencing. In Band 7, the atmosphere had good stability in phase rms (<0.5 rad over 2 minutes), and there was little difference in image coherence between the 20 and 60 s switching cycle times. One Band 8 experiment was conducted under a worse phase rms condition (>1 rad over 2 minutes), which led to a significantly reduced coherence when using the 60 s switching cycle time. One of our four experiments indicates that the residual phase rms error after phase referencing can be reduced to 0.16 rad at 289 GHz in using the 20 s switching cycle time. Such conditions would meet the phase correction requirement of image coherence of >70% in Band 10, assuming a similar phase calibrator separation angle, emphasizing the need for such B2B phase referencing observing at high frequencies.

79 ASTRONOMY AND ASTROPHYSICS↗

Towards Off-policy Evaluation as a Prerequisite for Real-world Reinforcement Learning in Building Control

We present an initial study of off-policy evaluation (OPE), a problem prerequisite to real-world reinforcement learning (RL), in the context of building control. OPE is the problem of estimating a policy's performance without running it on the actual system, using historical data from the existing controller. It enables the control engineers to ensure a new, pretrained policy satisfies the performance requirements and safety constraints of a real-world system, prior to interacting with it. While many methods have been developed for OPE, no study has evaluated which ones are suitable for building operational data, which are generated by deterministic policies and have limited coverage of the state-action space. After reviewing existing works and their assumptions, we adopted the approximate model (AM) method. Furthermore, we used bootstrapping to quantify uncertainty and correct for bias. In a simulation study, we evaluated the proposed approach on 10 policies pretrained with imitation learning. On average, the AM method estimated the energy and comfort costs with 1.84% and 14.1% error, respectively.

Chen, B↗

Model-based approaches to calibration and certification of nondestructive assay systems - 15615

Increasingly, model-based methods founded in physics are employed to calibrate, or extend the calibration of, nondestructive assay (NDA) systems used to characterize materials contaminated with plutonium, uranium, and other radioactive isotopes. In addition, modeling and mathematical methods are used to establish system parameters, correction factors, and measurement uncertainty components in NDA measurements. The methods combine the characteristics of the measurement configuration (detector structure, object shape and dimensions, source-detector distance and orientation, and collimation), generator knowledge of the waste composition, and known physical properties of the system in order to establish these parameters, factors, and components. These methods offer several important benefits over traditional methods used to test, calibrate, operate, and certify radiation measurement systems. First, instruments can be set up and put into service more quickly and correctly using a model-based approach. Second, calibrations can be performed, tested, and modified with reduced use of plutonium and uranium standards when modeling and mathematical methods are employed. Also, modeled approaches avoid calibration error resulting from heterogeneous source distribution. Moreover, the parameters can be installed quickly and simply in an office setting without the need for the safety, security, and safeguards considerations that are present when standards are used. Calibrations can also be tailored to fit unique or nonstandard container configurations (for example, over-packed drums), new container types, or specialized matrices. Finally, when modeling methods are applied, correction factors and measurement uncertainty elements can be developed, tested, and validated relatively quickly and without the need for surrogate matrix materials and a large number of test measurements. A combined gamma and neutron NDA system has recently been moved from Idaho National Laboratory to the TA 55 facility at Los Alamos National Laboratory (LANL). The system will be used to assay transuranic waste packaged in drums. After the move, the system was modified to replace degraded components and improve system performance. Afterwards, it was set up to assay different container types and to extend the calibration range. Model-based approaches were used to adapt the system to its new purpose at LANL. This report will describe the setup, calibration, and certification of the combined system at LANL Included in this discussion will be the measurement applications and details of the measurement methods. The steps in these processes that involved the use of modeling and mathematical calculations to replace or supplement more traditional methods will be identified and discussed. Finally, an overarching discussion of the methods and advantages of model-based methods to establish the properties of NDA systems will be presented. We conclude that validated mathematical methods offer a robust, flexible, and mature approach which is technically defensible from first principle physics. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Evaluation of energy balance closure adjustment methods by independent evapotranspiration estimates from lysimeters and hydrological simulations

Here, we report non-closure of the surface energy balance is a frequently observed phenomenon of hydrometeorological field measurements, when using the eddy-covariance method, which can be ascribed to an underestimation of the turbulent fluxes. Several approaches have been proposed in order to adjust the measured fluxes for this apparent systematic error. However, there are uncertainties about partitioning of the energy balance residual between the sensible and latent heat flux and whether such a correction should be applied on 30-minute data or longer time scales. The data for this study originate from two grassland sites in southern Germany, where measurements from weighable lysimeters are available as reference. The adjusted evapotranspiration rates are also compared with joint energy and water balance simulations using a physically-based distributed hydrological model. We evaluate two adjustment methods: the first one preserves the Bowen ratio and the correction factor is determined on a daily basis. The second one attributes a smaller portion of the residual energy to the latent heat flux than to the sensible heat flux for closing the energy balance for every 30-minute flux integration interval. Both methods lead to an improved agreement of the eddy-covariance based fluxes with the independent lysimeter estimates and the physically-based model simulations. The first method results in a better comparability of evapotranspiration rates, and the second method leads to a smaller overall bias. These results are similar between both sites despite considerable differences in terrain complexity and grassland management. Moreover, we found that a daily adjustment factor leads to less scatter than a complete partitioning of the residual for every half-hour time interval. Lastly, the vertical temperature gradient in the surface layer and friction velocity were identified as important predictors for a potential future parameterization of the energy balance residual.

58 GEOSCIENCES↗

Minimum conditions for accurate modeling of urea production via co-electrolysis

Co-electrolysis of carbon oxides and nitrogen oxides promise to simultaneously help restore the balance of the C and N cycles while producing valuable chemicals such as urea. However, co-electrolysis processes are still largely inefficient and numerous knowledge voids persist. Here, we provide a solid thermodynamic basis for modelling urea production via co-electrolysis. First, we determine the energetics of aqueous urea produced under electrochemical conditions based on experimental data, which enables an accurate assessment of equilibrium potentials and overpotentials. Next, we use density functional theory (DFT) calculations to model various co-electrolysis reactions producing urea. The calculated reaction free energies deviate significantly from experimental values for well-known GGA, meta-GGA and hybrid functionals. These deviations stem from errors in the DFT-calculated energies of molecular reactants and products. In particular, the error for urea is approximately -0.25 ± 0.10 eV. Finally, we show that all these errors introduce large inconsistencies in the calculated free-energy diagrams of urea production via co-electrolysis, such that gas-phase corrections are strongly advised.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗