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At least 739 records · Page 41

Verification assessment of piston boundary conditions for Lagrangian simulation of compressible flow similarity solutions

This work is concerned with the use of similarity solutions of the compressible flow equations as benchmarks or verification test problems for finite-volume compressible flow simulation software. In practice, this effort can be complicated by the infinite spatial/temporal extent of many candidate solutions or “test problems.” Methods can be devised with the intention of ameliorating this inconsistency with the finite nature of computational simulation; the exact strategy will depend on the code and problem archetypes under investigation. For example, self-similar shock wave propagation can be represented in Lagrangian compressible flow simulations as rigid boundary-driven flow, even if no such “piston” is present in the counterpart mathematical similarity solution. The purpose of this work is to investigate in detail the methodology of representing self-similar shock wave propagation as a piston-driven flow in the context of various test problems featuring simple closed-form solutions of infinite spatial/temporal extent. The closed-form solutions allow for the derivation of similarly closed-form piston boundary conditions (BCs) for use in Lagrangian compressible flow solvers. Finally, the consequences of utilizing these BCs (as opposed to directly initializing the self-similar solution in a computational spatial grid) are investigated in terms of common code verification analysis metrics (e.g., shock strength/position errors and global convergence rates).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SU-E-T-52: A New Device for Quality Assurance of a Single Isocenter Technique for the Simultaneous Treatment of Multiple Brain Metastases

Purpose: Comprehensive quality assurance (QA) of a single isocenter technique for the simultaneous treatment of multiple brain metastases is presently impractical due to the time consuming nature of measuring each lesion’s dose on film or with a micro-chamber. Three dimensional diode array and full field film measurements are sometimes used to evaluate these plans, but gamma analysis may not reveal local errors that have significant effects on one or a few of several targets. This work aimed to design, build and test a phantom to simplify comprehensive measurement and evaluation. Methods: A phantom was designed with 28 stackable slabs. The top and bottom slabs are 1.5 centimeters (cm) in thickness, and central 26 slabs are 0.5 cm thick. When assembled with radiochromic film in all 27 gaps, the phantom measures 16.5 x 15 x 19 cm. Etchings were designed to aide in identification of specific film planes on computed tomography (CT) images and correlation of individual PTVs with closest bisecting planes. Patient verification plans with a total of 16 PTVs were calculated on the phantom CT, and test deliveries both with and without couch kicks were performed to test the ability to identify correct film placements and subsequent PTV specific dose distributions on the films. Results: Bisecting planes corresponding to PTV locations were easily identified, and PTV specific dose distributions were clear for all 16 targets. For deliveries with couch kicks, the phantom PTV dose distributions closely approximated those calculated on the patient’s CT. For deliveries without couch kicks, PTV specific dosimetry was also possible, although the distributions had ‘ghosts’ equaling the number of couch kicks, with distance between ghosts increasing with distance from the isocenter. Conclusion: A new phantom facilitates fast comprehensive commissioning validation and PTV specific dosimetry for a single isocenter technique for treating multiple brain metastases. This work was partially funded by CIRS, Inc.

60 APPLIED LIFE SCIENCES↗

Error Bounds for Dynamical Spectral Estimation

Dynamical spectral estimation is a well-established numerical approach for estimating eigenvalues and eigenfunctions of the Markov transition operator from trajectory data. Although the approach has been widely applied in biomolecular simulations, its error properties remain poorly understood. Here we analyze the error of a dynamical spectral estimation method called “the variational approach to conformational dynamics" (VAC). We bound the approximation error and estimation error for VAC estimates. Our analysis establishes VAC's convergence properties and suggests new strategies for tuning VAC to improve accuracy.

97 MATHEMATICS AND COMPUTING↗

Evaluating radiation impact on transmon qubits in above and underground facilities

Superconducting qubits can be sensitive to energy deposits caused by cosmic rays and ambient radioactivity. While previous studies have explored correlated effects in time and space due to cosmic ray interactions, we present the first direct comparison of a transmon qubit’s performance measured at two distinct sites: the above-ground SQMS facility (Fermilab, US) and the deep-underground Gran Sasso Laboratory (Italy). Despite the stark difference in radiation levels, we observe a similar average qubit relaxation time of approximately 80 microseconds at both locations. To investigate radiation-induced events, we employ a fast decay detection protocol, comparing the relative rates of events between the two environments. Although intrinsic noise remains the dominant source of errors in superconducting qubits, our analysis revealed a significant excess of radiation-induced events for high-coherence transmon qubits operated above-ground. Finally, using γ-ray sources with increasing activity levels, we evaluate the qubit response in a controlled low-background environment.

De Dominicis, Francesco [GSSI, Aquila; INFN, LNS]↗

Managing the Performance/Error Tradeoff of Floating-point Intensive Applications

Modern embedded systems are becoming more reliant on real-valued arithmetic as they employ mathematically complex vision algorithms and sensor signal processing. Double-precision floating point is the most commonly used precision in computer vision algorithm implementations. A single-precision floating point can provide a performance boost due to less memory transfers, less cache occupancy, and relatively faster mathematical operations on some architectures. However, adopting it can result in loss of accuracy. Identifying which parts of the program can run in single-precision floating point with low impact on error is a manual and tedious process. In this paper, we propose an automatic approach to identify parts of the program that have a low impact on error using shadow-value analysis. Our approach provides the user with a performance/error tradeoff, using which the user can decide how much accuracy can be sacrificed in return for performance improvement. We illustrate the impact of the approach using a well known implementation of Apriltag detection used in robotics vision. In conclusion, we demonstrate that an average 1.3x speedup can be achieved with no impact on tag detection, and a 1.7x speedup with only 4% false negatives.

97 MATHEMATICS AND COMPUTING↗

Saturn Facility Oil Transfer Automation System

The Saturn accelerator, owned by Sandia National Laboratories, has been in operation since the early 1980s and still has many of the original systems. A critical legacy system is the oil transfer system which transfers 250,000 gallons of transformer oil from outside storage tanks to the Saturn facility. The oil transfer system was identified for upgrade to current technology standards. Using the existing valves, pumps, and relay controls, the system was automated using the National Instruments cRIO FGPA platform. Engineered safety practices, including a failure mode effects analysis, were used to develop error handling requirements. The uniqueness of the Saturn Oil Automated Transfer System (SOATS) is in the graphical user interface. The SOATS uses an HTML interface to communicate to the cRIO, creating a platform independent control system. The SOATS was commissioned in April 2013.

02 PETROLEUM↗

Reassessment of Dose Contributions from the M-Area Glass Special Waste Form Buried in the E-Area Low-Level Waste Facility

During a recent revision to the groundwater (GW) and inadvertent human intruder (IHI) screening analysis report (Aleman and Hamm, 2023), weaknesses within the screening logic were observed resulting in U-235 being brought back into the list of radionuclides requiring inventory limits within the M-Area Glass SWF. In addition, while reviewing the earlier vadose zone (VZ) transport analysis efforts, an input deck error was observed in the U-234G VZ transport simulation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Gate Set Tomography

Gate set tomography (GST) is a protocol for detailed, predictive characterization of logic operations (gates) on quantum computing processors. Early versions of GST emerged around 2012-13, and since then it has been refined, demonstrated, and used in a large number of experiments. This paper presents the foundations of GST in comprehensive detail. The most important feature of GST, compared to older state and process tomography protocols, is that it is calibration-free . GST does not rely on pre-calibrated state preparations and measurements. Instead, it characterizes all the operations in a gate set simultaneously and self-consistently, relative to each other. Long sequence GST can estimate gates with very high precision and efficiency, achieving Heisenberg scaling in regimes of practical interest. In this paper, we cover GST's intellectual history, the techniques and experiments used to achieve its intended purpose, data analysis, gauge freedom and fixing, error bars, and the interpretation of gauge-fixed estimates of gate sets. Our focus is fundamental mathematical aspects of GST, rather than implementation details, but we touch on some of the foundational algorithmic tricks used in the pyGSTi implementation.

97 MATHEMATICS AND COMPUTING↗

Mitigation of LEO Satellite Brightness and Trail Effects on the Rubin Observatory LSST

In this work, we report studies on the mitigation of optical effects of bright low-Earth-orbit (LEO) satellites on Vera C. Rubin Observatory and its Legacy Survey of Space and Time (LSST). These include options for pointing the telescope to avoid satellites, laboratory investigations of bright trails on the Rubin Observatory LSST camera sensors, algorithms for correcting image artifacts caused by bright trails, experiments on darkening SpaceX Starlink satellites, and ground-based follow-up observations. The original Starlink v0.9 satellites are g ~ 4.5 mag, and the initial experiment "DarkSat" is g ~ 6.1 mag. Future Starlink darkening plans may reach g ~ 7 mag, a brightness level that enables nonlinear image artifact correction to well below background noise. However, the satellite trails will still exist at a signal-to-noise ratio ~ 100, generating systematic errors that may impact data analysis and limit some science. For the Rubin Observatory 8.4 m mirror and a satellite at 550 km, the full width at half maximum of the trail is about 3'' as the result of an out-of-focus effect, which helps avoid saturation by decreasing the peak surface brightness of the trail. For 48,000 LEOsats of apparent magnitude 4.5, about 1% of pixels in LSST nautical twilight images would need to be masked.

79 ASTRONOMY AND ASTROPHYSICS↗

Multigroup Thermal Radiation Transport with Tensor Trains

We investigate the application of tensor-train (TT) algorithms to multigroup thermal radiation transport (i.e., photon radiation transport). The TT framework enables simulations at discretizations that might otherwise be computationally infeasible on conventional hardware. We show that solutions to certain multigroup problems possess an intrinsic low-rank structure, which the TT representation leverages effectively. This enables us to solve problems where the discretized solution size exceeds a trillion parameters on a single node. The solver is evaluated on a range of test problems with varying levels of complexity, consistently achieving compression factors greater than 100× and speedups exceeding 2×. We also investigate alternative TT topologies by analyzing the low-rank structure of the merged spatio-spectral core to assess the potential for greater compression. This analysis suggests that compression gains could increase by factors as large as 7. Our results indicate that the low-rank structure of the merged spatio-spectral core captures the spatio-spectral complexity of the solution, largely driven by the opacity structure of the medium. Beyond identifying opportunities for improved compression, this analysis highlights the types of errors that may arise in angle-integrated quantities when exploiting this low-rank structure.

79 ASTRONOMY AND ASTROPHYSICS↗

Bayesian calibration of terrestrial ecosystem models: a study of advanced Markov chain Monte Carlo methods

Calibration of terrestrial ecosystem models is important but challenging. Bayesian inference implemented by Markov chain Monte Carlo (MCMC) sampling provides a comprehensive framework to estimate model parameters and associated uncertainties using their posterior distributions. The effectiveness and efficiency of the method strongly depend on the MCMC algorithm used. In this work, a differential evolution adaptive Metropolis (DREAM) algorithm is used to estimate posterior distributions of 21 parameters for the data assimilation linked ecosystem carbon (DALEC) model using 14 years of daily net ecosystem exchange data collected at the Harvard Forest Environmental Measurement Site eddy-flux tower. The calibration of DREAM results in a better model fit and predictive performance compared to the popular adaptive Metropolis (AM) scheme. Moreover, DREAM indicates that two parameters controlling autumn phenology have multiple modes in their posterior distributions while AM only identifies one mode. The application suggests that DREAM is very suitable to calibrate complex terrestrial ecosystem models, where the uncertain parameter size is usually large and existence of local optima is always a concern. In addition, this effort justifies the assumptions of the error model used in Bayesian calibration according to the residual analysis. Here, the result indicates that a heteroscedastic, correlated, Gaussian error model is appropriate for the problem, and the consequent constructed likelihood function can alleviate the underestimation of parameter uncertainty that is usually caused by using uncorrelated error models.

54 ENVIRONMENTAL SCIENCES↗

Multicomponent Equilibrium Models for Testing Geothermometry Approaches

Geothermometry is an important tool for estimating deep reservoir temperature from the geochemical composition of shallower and cooler waters. The underlying assumption of geothermometry is that the waters collected from shallow wells and seeps maintain a chemical signature that reflects equilibrium in the deeper reservoir. Many of the geothermometers used in practice are based on correlation between water temperatures and composition or using thermodynamic calculations based a subset (typically silica, cations or cation ratios) of the dissolved constituents. An alternative approach is to use complete water compositions and equilibrium geochemical modeling to calculate the degree of disequilibrium (saturation index) for large number of potential reservoir minerals as a function of temperature. We have constructed several “forward” geochemical models using The Geochemist’s Workbench to simulate the change in chemical composition of reservoir fluids as they migrate toward the surface. These models explicitly account for the formation (mass and composition) of a steam phase and equilibrium partitioning of volatile components (e.g., CO2, H2S, and H2) into the steam as a result of pressure decreases associated with upward fluid migration from depth. We use the synthetic data generated from these simulations to determine the advantages and limitations of various geothermometry and optimization approaches for estimating the likely conditions (e.g., temperature, pCO2) to which the water was exposed in the deep subsurface. We demonstrate the magnitude of errors that can result from boiling, loss of volatiles, and analytical error from sampling and instrumental analysis. The estimated reservoir temperatures for these scenarios are also compared to conventional geothermometers. These results can help improve estimation of geothermal resource temperature during exploration and early development.

15 GEOTHERMAL ENERGY↗

Solid phase sampling device and methods for point-source sampling of polar organic analytes

Sampling devices for sampling an aqueous source (e.g., field testing of ground water) for multiple different analytes are described. Devices include a solid phase extraction component for retention of a wide variety of targeted analytes. Devices include analyte derivatization capability for improved extraction of targeted analytes. Thus, a single device can be utilized to examine a sample source for a wide variety of analytes. Devices also include an isotope dilution capability that can prevent error introduction to the sample analysis and can correct for sample loss and degradation from the point of sampling until analysis as well as correction for incomplete or poor derivatization reactions. The devices can be field-deployable and rechargeable.

Boggess, Andrew J.↗

Solid-phase sampling device and methods for point-source sampling of polar organic analytes

Sampling devices for sampling an aqueous source (e.g., field testing of ground water) for multiple different analytes are described. Devices include a solid phase extraction component for retention of a wide variety of targeted analytes. Devices include analyte derivatization capability for improved extraction of targeted analytes. Thus, a single device can be utilized to examine a sample source for a wide variety of analytes. Devices also include an isotope dilution capability that can prevent error introduction to the sample analysis and can correct for sample loss and degradation from the point of sampling until analysis as well as correction for incomplete or poor derivatization reactions. The devices can be field-deployable and rechargeable.

Boggess, Andrew J.↗

Regularized Differentiation for Bioburden Density Estimation in Planetary Protection

In this paper, we propose and investigate the performance of two novel shrinkage estimators for bioburden density estimation in planetary protection. The estimators are based on the regularized differentiation of a cumulative count of colony forming units collected throughout the data collecting session or the life cycle of the entire mission. The regularized differentiation recasts the problem of bioburden density estimation as a linear least squares problem. The least squares problem is then solved through regularization techniques, such as truncated singular value decomposition and penalized least squares. The regularization is necessary to avoid noise amplification during the differentiation of noisy data. The two regularization estimators are compared with four other commonly used estimators to simultaneously evaluate the means of multivariable independent Poisson distributions: the maximum likelihood, noninformative Bayes estimator with Jeffreys prior, Empirical Bayes using conjugate gamma-Poisson model with gamma parameters selected by method of moments, and the Clevenson-Zidek estimator. It is shown through computer-simulated data that the regularized differentiation based on ridge regression has the smallest mean-squared error among all estimators. The analysis of shrinkage mechanism implemented by regularized differentiation is performed, and it is shown that the regularized differentiation amounts to performing a weighted averaging of all the samples. The weights are determined by the regularization parameter automatically selected by the L-curve technique. Since the method of least squares makes no distributional assumptions about the data, it presents an attractive technique for bioburden density estimation when there are concerns about the misspecification of the distributional model. The paper concludes with the analysis of the bioburden data collected during InSight mission and directions for future work.

97 - MATHEMATICS AND COMPUTING↗

An Analysis of Grid Operator Survey Responses: Inexperience, Workload and Fatigue in the Control Room

Although a wide array of tools and technologies have been developed over the last decade to support power grid operators, deployment of these tools has been less successful. One reason for unsuccessful deployment may be an inadequate understanding of the factors that contribute to operator error in the control room. An analysis of operators’ current vulnerabilities may provide the baseline understanding needed to inform new technology integration. In an attempt to learn more about these vulnerabilities and their perceived impact on human error we collected and analyzed survey data from 20 electric grid control room operators. We asked survey respondents to consider the various operator, technology and interaction vulnerabilities that may arise during work in the control room and record their attitudes and experiences toward each. Results suggest operator inexperience, high mental workload and fatigue are the most common vulnerabilities experienced during a shift. Survey results were analyzed to explore these vulnerabilities in greater depth.

Inexperience, Workload, Fatigue↗

Machine learning predictions of high-Curie-temperature materials

Technologies that function at room temperature often require magnets with a high Curie temperature, $T$ C , and can be improved with better materials. Discovering magnetic materials with a substantial $T$ C is challenging because of the large number of candidates and the cost of fabricating and testing them. Using the two largest known datasets of experimental Curie temperatures, we develop machine-learning models to make rapid $T$ C predictions solely based on the chemical composition of a material. We train a random-forest model and a k -NN one and predict on an initial dataset of over 2500 materials and then validate the model on a new dataset containing over 3000 entries. The accuracy is compared for multiple compounds' representations (“descriptors”) and regression approaches. A random-forest model provides the most accurate predictions and is not improved by dimensionality reduction or by using more complex descriptors based on atomic properties. Further, a random-forest model trained on a combination of both datasets shows that cobalt-rich and iron-rich materials have the highest Curie temperatures for all binary and ternary compounds. An analysis of the model reveals systematic error that causes the model to over-predict low-$T$ C materials and under-predict high-$T$ C materials. For exhaustive searches to find new high-$T$ C materials, analysis of the learning rate suggests either that much more data is needed or that more efficient descriptors are necessary.

36 MATERIALS SCIENCE↗