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At least 1,009 records · Page 56

Development of local hybrid density functionals to treat self-interaction error and many-electron effects

The goal of this project was to improve density functional theory (DFT) for systems where conventional semilocal approximations are limited by self-interaction error (SIE) and by near-degeneracy or strong many-electron effects. While DFT remains the only broadly practical first-principles framework for large-scale materials simulations, its predictive accuracy is often challenged in situations involving stretched bonds, charge transfer, transition-metal chemistry, magnetic couplings, band gaps, and correlated electronic states. This project addressed these limitations by developing physically grounded and numerically robust exchange–correlation functionals that retain the efficiency of modern DFT while extending its predictive scope.

36 MATERIALS SCIENCE↗

Ultracoherent superconducting cavity-based multiqudit platform with error-resilient control

Superconducting radio-frequency (SRF) cavities offer a promising platform for quantum computing due to their long coherence times, yet integrating nonlinear elements like transmons for control often introduces additional loss. We report a multimode quantum system based on a 2-cell elliptical-shaped SRF cavity, comprising two cavity modes weakly coupled to an ancillary transmon circuit, designed to preserve coherence while enabling efficient control of the cavity modes. We mitigate the detrimental effects of the transmon decoherence through careful design optimization that reduces transmon-cavity couplings and participation in the dielectric substrate and lossy interfaces, to achieve single-photon lifetimes of 20.6 ms and 15.6 ms for the two modes, and a pure dephasing time exceeding 40 ms. This marks an order-of-magnitude improvement over prior 3D multimode memories. Leveraging sideband interactions and novel error-resilient protocols, including measurement-based correction and post-selection, we achieve high-fidelity control over quantum states. This enables the preparation of Fock states up to N = 20 with fidelities exceeding 95%, the highest reported to date to the authors' knowledge, as well as two-mode entanglement with an estimated coherence-limited fidelities of 99.9% after post-selection. These results establish our platform as a robust foundation for quantum information processing, allowing for future extensions to high-dimensional qudit encodings.

Lu, Yao [Fermilab] (ORCID:000000020413698X)↗

Ultracoherent superconducting cavity-based multiqudit platform with error-resilient control

Superconducting radio-frequency (SRF) cavities offer a promising platform for quantum computing due to their long coherence times, yet integrating nonlinear elements like transmons for control often introduces additional loss. We report a multimode quantum system based on a 2-cell elliptical-shaped SRF cavity, comprising two cavity modes weakly coupled to an ancillary transmon circuit, designed to preserve coherence while enabling efficient control of the cavity modes. We mitigate the detrimental effects of the transmon decoherence through careful design optimization that reduces transmon-cavity couplings and participation in the dielectric substrate and lossy interfaces, to achieve single-photon lifetimes of 20.6 ms and 15.6 ms for the two modes, and a pure dephasing time exceeding 40 ms. This marks an order-of-magnitude improvement over prior 3D multimode memories. Leveraging sideband interactions and novel error-resilient protocols, including measurement-based correction and post-selection, we achieve high-fidelity control over quantum states. This enables the preparation of Fock states up to N = 20 with fidelities exceeding 95%, the highest reported to date to the authors' knowledge, as well as two-mode entanglement with an estimated coherence-limited fidelities of 99.9% after post-selection. These results establish our platform as a robust foundation for quantum information processing, allowing for future extensions to high-dimensional qudit encodings.

Lu, Yao [Fermilab] (ORCID:000000020413698X)↗

Variation in surface properties as error sources in dynamic temperature measurements

Most temperature measurement methods rely upon the assumption of a single uniform source as part of the analysis in inferring an observed temperature T from the surface of a material. This is true for the radiometric and spectroscopic methods we rely upon in shock physics. However, there are obvious cases where this is a poor assumption that can cause large errors in analysis, such as the measurement of emission from a surface composed of more than one material, such as a rusted surface of Fe and Fe 2 O 3 , or a multi-material surface that could be produced through alloying methods (e.g., mokume gane) or 3D printing. Here we perform an initial examination of the effects of varied surface properties upon the analysis using idealized test data to constrain when we may have better confidence in the resulting calculations. We also examine the structures of the fits to test whether, in principle, comparing the fit with ideal gray bodies would reveal such a structure and enable the researcher to identify when a two-temperature fitting model should be used instead of a single- T model or a wavelength-dependent emissivity model.

36 MATERIALS SCIENCE↗

Evaluating User Errors and Temporal Trends in Marine Fish Communities Using 360-Degree Underwater Photography

The use of environmental DNA (eDNA) sampling has been proposed as a complementary method to monitor fish species in marine environments, offering a non-invasive and potentially more efficient approach to marine species observations. eDNA monitoring could be especially useful in and around sites targeted for marine energy generation as these regions need regular monitoring that would be impractical with traditional techniques. Before we can fully rely upon eDNA, we must first verify its accuracy against other proven methods, such as the use of underwater photography. In this study, I deployed a 360-degree camera in the tidal channel of Sequim Bay once a month during several hours overlapping slack tide. I investigated how having multiple people identify and count fish on underwater images could affect the overall results. Using chi square tests in R, I compared my fish identifications and counts to those made by another intern on the same images recorded in August. I found significant differences in the number of species identified and the total individual counts between the two different datasets. I also tested the statistical differences in both Shannon diversity and Pielou evenness indices between the August, September, and November camera deployments using a Hutcheson t-test. Only one significant difference was found in the Shannon index comparisons, and none were found between the Pielou evenness comparisons. These findings show that if multiple identifiers are used to process underwater images, quality control checks must be made to reduce the potential for error. This also points toward the possibility to leverage more advanced image analysis processes, such as automated image analysis software. The findings from this study also show that the dynamics of marine fish communities can vary over a few months; however, further analysis is needed to determine the extent of the seasonal changes in Sequim Bay.

59 BASIC BIOLOGICAL SCIENCES↗

Noise Is Not Error: Detecting Parametric Heterogeneity Between Epidemiologic Time Series

Mathematical models play a central role in epidemiology. For example, models unify heterogeneous data into a single framework, suggest experimental designs, and generate hypotheses. Traditional methods based on deterministic assumptions, such as ordinary differential equations (ODE), have been successful in those scenarios. However, noise caused by random variations rather than true differences is an intrinsic feature of the cellular/molecular/social world. Time series data from patients (in the case of clinical science) or number of infections (in the case of epidemics) can vary due to both intrinsic differences or incidental fluctuations. The use of traditional fitting methods for ODEs applied to noisy problems implies that deviation from some trend can only be due to error or parametric heterogeneity, that is noise can be wrongly classified as parametric heterogeneity. This leads to unstable predictions and potentially misguided policies or research programs. In this paper, we quantify the ability of ODEs under different hypotheses (fixed or random effects) to capture individual differences in the underlying data. We explore a simple (exactly solvable) example displaying an initial exponential growth by comparing state-of-the-art stochastic fitting and traditional least squares approximations. We also provide a potential approach for determining the limitations and risks of traditional fitting methodologies. Finally, we discuss the implications of our results for the interpretation of data from the 2014-2015 Ebola epidemic in Africa.

59 BASIC BIOLOGICAL SCIENCES↗

THE SYSTEMATIC ERROR TEST FOR PSF CORRECTION IN WEAK GRAVITATIONAL LENSING SHEAR MEASUREMENT BY THE ERA METHOD BY IDEALIZING PSF

We improve the ellipticity of re-smeared artificial image (ERA) method of point-spread function (PSF) correction in a weak lensing shear analysis in order to treat the realistic shape of galaxies and the PSF. This is done by re-smearing the PSF and the observed galaxy image using a re-smearing function (RSF) and allows us to use a new PSF with a simple shape and to correct the PSF effect without any approximations or assumptions. We perform a numerical test to show that the method applied for galaxies and PSF with some complicated shapes can correct the PSF effect with a systematic error of less than 0.1%. We also apply the ERA method for real data of the Abell 1689 cluster to confirm that it is able to detect the systematic weak lensing shear pattern. The ERA method requires less than 0.1 or 1 s to correct the PSF for each object in a numerical test and a real data analysis, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗

Correcting Turbulence-induced Errors in Fiber Positioning for the Dark Energy Spectroscopic Instrument

Highly multiplexed, robotic, fiber-fed spectroscopic surveys are observing tens of millions of stars and galaxies. For many systems, accurate positioning relies on imaging the fibers in the focal plane and feeding that information back to the robotic positioners to correct their positions. Inhomogeneities and turbulence in the air between the focal plane and the imaging camera can affect the measured positions of fibers, limiting the accuracy with which fibers can be placed on targets. For the Dark Energy Spectroscopic Instrument, we dramatically reduced the effect of turbulence on measurements of positioner locations in the focal plane by taking advantage of stationary positioners and the correlation function of the turbulence. We were able to reduce positioning errors from 7.3 to 3.5 μm, speeding the survey by 1.6% under typical conditions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Rate constants for fine-structure excitations in O-H collisions with error bars obtained by machine learning

We present an approach using a combination of coupled channel scattering calculations with a machine-learning technique based on Gaussian Process regression to determine the sensitivity of the rate constants for non-adiabatic transitions in inelastic atomic collisions to variations of the underlying adiabatic interaction potentials. Using this approach, we improve the previous computations of the rate constants for the fine-structure transitions in collisions of O({sup 3}P{sub j}) with atomic H. We compute the error bars of the rate constants corresponding to 20% variations of the ab initio potentials and show that this method can be used to determine which of the individual adiabatic potentials are more or less important for the outcome of different fine-structure changing collisions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Quest for the Inflationary Spectral Runnings in the Presence of Systematic Errors

Cosmological inflation suggests that the scalar spectral index "runs" with scale. Constraints on the values of the spectral runnings, ${\alpha }_{s}\equiv {{dn}}_{s}/d\,\mathrm{ln}\,k$ and ${\beta }_{s}\equiv d{\alpha }_{s}/d\,\mathrm{ln}\,k$, therefore provide a fundamental test of the physics of inflation. In this work, we review the feasibility of measuring the runnings when information from upcoming large-volume galaxy surveys is used to supplement the information provided by a cosmic microwave background (CMB)-S4 experiment, particularly focusing on the effect of including high-k, nonlinear scales. Since these measurements will be sensitive to modeling uncertainties for the nonlinear power spectrum, we examine how three different ways of parameterizing those systematics—introducing zero, two, or several hundred nuisance parameters—affect constraints and protect against parameter biases. Considering statistical errors alone, we find that including strongly nonlinear scales can substantially tighten constraints. However, these constraints weaken to levels not much better than those from a CMB-S4 experiment alone when we limit our analysis to scales where estimates are not strongly affected by systematic biases. Given these considerations, near-future large-scale structure (LSS) surveys are unlikely to add much information to the CMB-S4 measurement of the first running α s . There is more potential for improvement for the second running, β s , for which LSS information will allow constraints to be improved by a factor of 3–4 relative to using the CMB alone. Though these limitations are still above the value predicted by slow-roll inflation, they do probe regions of parameter space relevant to nonstandard inflationary models with large runnings, for example, those that can generate an appreciable abundance of primordial black holes.

79 ASTRONOMY AND ASTROPHYSICS↗

Ultracoherent superconducting cavity-based multiqudit platform with error-resilient control

Superconducting radio-frequency (SRF) cavities offer a promising platform for quantum computing due to their long coherence times, yet integrating nonlinear elements like transmons for control often introduces additional loss. We report a multimode quantum system based on a 2-cell elliptical shaped SRF cavity, comprising two cavity modes weakly coupled to an ancillary transmon circuit, designed to preserve coherence while enabling efficient control of the cavity modes. We mitigate the detrimental effects of the transmon decoherence through careful design optimization that reduces transmon-cavity couplings and participation in the dielectric substrate and lossy interfaces, to achieve single-photon lifetimes of 20.6 ms and 15.6 ms for the two modes, and a pure dephasing time exceeding 40 ms. This marks an order-of-magnitude improvement over prior 3D multimode memories. Leveraging sideband interactions and novel error-resilient protocols, including measurement-based correction and post-selection, we achieve high-fidelity control over quantum states. This enables the preparation of Fock states up to $N = 20$ with fidelities exceeding 95%, the highest reported to date to the authors' knowledge, as well as two-mode entanglement with an estimated coherence-limited fidelities of 99.9% after post-selection. These results establish our platform as a robust foundation for quantum information processing, allowing for future extensions to high-dimensional qudit encodings.

Kim, Taeyoon [Fermilab; Northwestern U.]↗

Investigation of observational error sources in multi-Doppler-radar three-dimensional variational vertical air motion retrievals

Abstract. Multi-Doppler-radar network observations have been used in different configurations over the last several decades to conduct three-dimensional wind retrievals in mesoscale convective systems. Here, the impacts of the selected radar volume coverage pattern (VCP), the sampling time for the VCP, the number of radars used, and the added value of advection correction on the retrieval of the vertical air motion in the upper part of convective clouds are examined using the Weather Research and Forecasting (WRF) model simulation, the Cloud Resolving Model Radar SIMulator (CR-SIM), and a three-dimensional variational multi-Doppler-radar retrieval technique. Comparisons between the model truth (i.e., WRF kinematic fields) and updraft properties (updraft fraction, updraft magnitude, and mass flux) retrieved from the CR-SIM-generated multi-Doppler-radar field are used to investigate these impacts. The findings are that (1) the VCP elevation strategy and sampling time have a significant effect on the retrieved updraft properties above 6  km in altitude; (2) 2  min or shorter VCPs have small impacts on the retrievals, and the errors are comparable to retrievals using a snapshot cloud field; (3) increasing the density of elevation angles in the VCP appears to be more effective to reduce the uncertainty than an addition of data from one more radar, if the VCP is performed in 2  min ; and (4) the use of dense elevation angles combined with an advection correction applied to the 2  min VCPs can effectively improve the updraft retrievals, but for longer VCP sampling periods (5  min ) the value of advection correction is challenging. This study highlights several limiting factors in the retrieval of upper-level vertical velocity from multi-Doppler-radar networks and suggests that the use of rapid-scan radars can substantially improve the quality of wind retrievals if conducted in a limited spatial domain.

54 ENVIRONMENTAL SCIENCES↗

Pressure Change Measurement Leak Testing Errors

A pressure change test is a common leak testing method used in construction and Non-Destructive Examination (NDE). The test is known as being a fast, simple, and easy to apply evaluation method. While this method may be fairly quick to conduct and require simple instrumentation, the engineering behind this type of test is more complex than is apparent on the surface. This paper intends to discuss some of the more common errors made during the application of a pressure change test and give the test engineer insight into how to correctly compensate for these factors. The principals discussed here apply to ideal gases such as air or other monoatomic or diatomic gasses; however these same principals can be applied to polyatomic gasses or liquid flow rate with altered formula specific to those types of tests using the same methodology.

Leak Test↗

Error Detection and Correction LDMS Plugin Version 1.0

Sandia's Lightweight Distributed Metric Service (LDMS) is a data collection and transport system used at Livermore Computing to gather performance data across the center. While Sandia has a set of plugins available, they do not include all the data we need to capture. The ECAC plugin that we have developed enables collection of the Error Detection and Correction (EDAC) counters.

Shoga, Kathleen↗

Coordinated joint motion control system with position error correction

Disclosed are an articulated hydraulic machine supporting, control system and control method for same. The articulated hydraulic machine has an end effector for performing useful work. The control system is capable of controlling the end effector for automated movement along a preselected trajectory. The control system has a position error correction system to correct discrepancies between an actual end effector trajectory and a desired end effector trajectory. The correction system can employ one or more absolute position signals provided by one or more acceleration sensors supported by one or more movable machine elements. Good trajectory positioning and repeatability can be obtained. A two joystick controller system is enabled, which can in some cases facilitate the operator's task and enhance their work quality and productivity.

42 ENGINEERING↗

SIMULATED HUMAN ERROR PROBABILITY AND ITS APPLICATION TO DYNAMIC HUMAN FAILURE EVENTS

Abstract Objectives: Human reliability analysis (HRA) methods typically analyze human failure events (HFEs) at the overall task level. For dynamic HRA, it is important to model human activities at the subtask level. There exists a disconnect between dynamic subtask level and static task level that presents issues when modeling dynamic scenarios. For example, the SPAR-H method is typically used to calculate the human error probability (HEP) at the task level. As demonstrated in this paper, quantification in SPAR-H does not translate to the subtask level. Methods: Two different discrete distributions were generated for each SPAR-H Performance Shaping Factor (PSF) to define the frequency of PSF levels. The first distribution was a uniform, or uninformed distribution that assumed the frequency of each PSF level was equally likely. The second non-continuous distribution took the frequency of PSF level as identified from an assessment of the HERA database. These two different approaches were created to identify the resulting distribution of the HEP. The resulting HEP that appears closer to the known distribution, a log-normal centered on 1E-3, is the more desirable. Each approach then has median, average and maximum HFE calculations applied. To calculate these three values, three events, A, B and C are generated from the PSF level frequencies comprised of subtasks. The median HFE selects the median PSF level from each PSF and calculates HEP. The average HFE takes the mean PSF level, and the maximum takes the maximum PSF level. The same data set of subtask HEPs yields starkly different HEPs when aggregated to the HFE level in SPAR-H. Results: Assuming that each PSF level in each HFE is equally likely creates an unrealistic distribution of the HEP that is centered at 1. Next the observed frequency of PSF levels was applied with the resulting HEP behaving log-normally with a majority of the values under 2.5% HEP. The median, average and maximum HFE calculations did yield different answers for the HFE. The HFE maximum grossly over estimates the HFE, while the HFE distribution occurs less than HFE median, and greater than HFE average. Conclusions: Dynamic task modeling can be perused through the framework of SPAR-H. Identification of distributions associated with each PSF needs to be defined, and may change depending upon the scenario. However it is very unlikely that each PSF level is equally likely as the resulting HEP distribution is strongly centered at 100%, which is unrealistic. Other distributions may need to be identified for PSFs, to facilitate the transition to dynamic task modeling. Additionally discrete distributions need to be exchanged for continuous so that simulations for the HFE can further advance. This paper provides a method to explore dynamic subtask to task translation and provides examples of the process using the SPAR-H method.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Visual Sensing and Image Processing for Error Detection in Laser Metal Wire Deposition

Laser metal deposition with wire (LMD-w) involves feeding metal wire through a nozzle and melting the wire with a high-power laser. With efficient process control, comprising sensing, processing and feedback correction of errors, the technology has a potential of changing the course of manufacturing. However, the limitation most often encountered in LMD is the difficulty in controlling the process. Monitoring and control of metal additive manufacturing processes has been mostly researched on powder-based systems, and has not yet been investigated to much extent on the side of metal wire feed arrangements. This work proposes a method for detecting cavities in a deposited layer in the LMD-w process via optical inspection and processing of images obtained from a high-resolution camera. The aim is to develop an effective sensing module which automatically detects discontinuities in each layer before proceeding to subsequent layers, to reduce part porosity and improve inter-layer bond integrity.

Adediran, Adeola↗

Probing the cosmic causes of errors in supercomputers

Cosmic rays from outer space are causing errors in supercomputers. The neutrons that pass through the CPU may be causing binary data to flip leading to incorrect calculations. Los Alamos National Laboratory has developed detectors to determine how much data is being corrupted by these cosmic particles.

54 ENVIRONMENTAL SCIENCES↗