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At least 199 records · Page 11

A robust fourth-order finite-difference discretization for the strongly anisotropic transport equation in magnetized plasmas

We propose a second-order temporally implicit, fourth-order-accurate spatial discretization scheme for the strongly anisotropic heat transport equation characteristic of hot, fusion-grade plasmas. Following Du Toit et al. (2018), the scheme transforms mixed-derivative diffusion fluxes (which are responsible for the lack of a discrete maximum principle) into nonlinear advective fluxes, amenable to nonlinear-solver-friendly monotonicity-preserving limiters. The scheme enables accurate multi-dimensional heat transport simulations with up to seven orders of magnitude of heat-transport-coefficient anisotropies with low cross-field numerical error pollution and excellent algorithmic performance, with the number of linear iterations scaling very weakly with grid resolution and grid anisotropy, and scaling with the square-root of the implicit timestep. We propose a multigrid preconditioning strategy based on a lower-order approximation that renders the scheme efficient and scalable under grid refinement. Several numerical tests are presented that display the expected spatial convergence rates and strong algorithmic performance, including fully nonlinear magnetohydrodynamics simulations of kink instabilities in a Bennett pinch in 2D helical geometry and of ITER in 3D toroidal geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

When less is more: How increasing the complexity of machine learning strategies for geothermal energy assessments may not lead toward better estimates

Previous moderate- and high-temperature geothermal resource assessments of the western United States utilized data-driven methods and expert decisions to estimate resource favorability. Although expert decisions can add confidence to the modeling process by ensuring reasonable models are employed, expert decisions also introduce human and, thereby, model bias. This bias can present a source of error that reduces the predictive performance of the models and confidence in the resulting resource estimates. Our study aims to develop robust data-driven methods with the goals of reducing bias and improving predictive ability. We present and compare nine favorability maps for geothermal resources in the western United States using data from the U.S. Geological Survey's 2008 geothermal resource assessment. Two favorability maps are created using the expert decision-dependent methods from the 2008 assessment (i.e., weight-of-evidence and logistic regression). With the same data, we then create six different favorability maps using logistic regression (without underlying expert decisions), XGBoost, and support-vector machines paired with two training strategies. The training strategies are customized to address the inherent challenges of applying machine learning to the geothermal training data, which have no negative examples and severe class imbalance. We also create another favorability map using an artificial neural network. We demonstrate that modern machine learning approaches can improve upon systems built with expert decisions. We also find that XGBoost, a non-linear algorithm, produces greater agreement with the 2008 results than linear logistic regression without expert decisions, because the expert decisions in the 2008 assessment rendered the otherwise linear approaches non-linear despite the fact that the 2008 assessment used only linear methods. The F1 scores for all approaches appear low (F1 score < 0.10), do not improve with increasing model complexity, and, therefore, indicate the fundamental limitations of the input features (i.e., training data). Until improved feature data are incorporated into the assessment process, simple non-linear algorithms (e.g., XGBoost) perform equally well or better than more complex methods (e.g., artificial neural networks) and remain easier to interpret.

15 GEOTHERMAL ENERGY↗

A multi-dimensional dataset for two-phase instability in low pressure natural circulation based on direct transient local measurement

Thermal hydraulic instability can challenge the control and the safety of nuclear reactors. This experimental research captures and investigates the instability in a low-pressure (1–10 atmospheres) natural circulation loop with an adiabatic chimney installed above the heated section. Direct transient local measurement of two-phase flow is performed at multiple axial locations along the flow channel with thermocouples and conductivity probes traversed by customized high-precision mechanisms. Based on the periodicity of oscillations, a post-processing method is proposed to align the data captured non-simultaneously to reconstruct the instability behavior in one representative period. The averaging operation over multiple oscillation cycles is performed to reduce the random errors. Cyclic phenomena are clearly demonstrated by the post-processed data, and rapid void fraction change induced by the flashing is observed to be significant in the driving mechanism for low pressure oscillations. Parametric effects of inlet subcooling, heat flux, inlet flow restriction and system pressure are studied within the experiment range, and qualitative results are explained and compared with existing literature. The ratio between the oscillation period and the travelling time of the fluid particle through the test section is compared with the theoretical value for the density wave oscillation. The new dataset contains directly measured transient multi-dimensional two-phase data along the flow channel for natural circulation under density wave oscillations. The generated dataset is valuable for the validation of system analysis codes and CFD codes in the simulation of natural circulation phenomena and dynamic two-phase flow.

42 ENGINEERING↗

Sensor fusion of pyrometry and acoustic measurements for localized keyhole pore identification in laser powder bed fusion

We report in-situ process monitoring as an aid to part qualification for laser powder-bed fusion (L-PBF) technology is a topic of increasing interest to the additive manufacturing community. In this work, airborne acoustic and inline pyrometry measurements were recorded simultaneously with the laser position. X-ray radiography imaging was used to spatio-temporally register keyhole pore locations to the pyrometry and acoustic signals, enabling binary labeling of data partitions based on pore formation. These labeled partitions were subsequently featurized using a highly comparative time-series analysis toolbox. Acoustic data was found to be much more effective than the pyrometry data for keyhole pore identification. However, when the information contained in both sensing modalities was combined in a sensor fusion strategy, the error rates of the top performing models were significantly reduced.

36 MATERIALS SCIENCE↗

Exploiting Kronecker structure in exponential integrators: Fast approximation of the action of φ $-$functions of matrices via quadrature

Here, in this article, we propose an algorithm for approximating the action of φ $-$ functions of matrices against vectors, which is a key operation in exponential time integrators. In particular, we consider matrices with Kronecker sum structure, which arise from problems admitting a tensor product representation. The method is based on quadrature approximations of the integral form of the φ $-$ functions combined with a scaling and modified squaring method. Owing to the Kronecker sum representation, only actions of 1D matrix exponentials are needed at each quadrature node and assembly of the full matrix can be avoided. Additionally, we derive a priori bounds for the quadrature error, which show that, as expected by classical theory, the rate of convergence of our method is supergeometric. Guided by our analysis, we construct a fast and robust method for estimating the optimal scaling factor and number of quadrature nodes that minimizes the total cost for a prescribed error tolerance. We investigate the performance of our algorithm by solving several linear and semilinear time-dependent problems in 2D and 3D. The results show that our method is accurate and orders of magnitude faster than the current state-of-the-art.

97 MATHEMATICS AND COMPUTING↗

Enriching OpenStreetMap network data for transportation applications: Insights into the impact of urban congestion on accessibility

OpenStreetMap (OSM) data is a valuable open-source resource for various transportation, traffic, and planning applications. However, OSM network data lack operating traffic speed information, which is critical for transport planning and operations. Addressing this shortcoming, this study leverages commercial vendor data (to serve as ground truth) with exogenous, open-source variables characterizing local transport infrastructure, land use, and demographic information to predict average congested traffic speeds on OSM networks. Three machine-learning models were tested and estimated for OSM links with and without speed limit information in the Denver metropolitan region. Among these, XGBoost performed best, with mean absolute errors of 3.27 and 3.62 mph for links with and without speed limits, respectively. The developed models accurately predicted traffic speeds for different hours and days of the week compared to ground truth data. Using these predicted speeds, drive accessibility scores were computed for the Denver region for different time periods using the Mobility Energy Productivity (MEP) metric to understand the impact of congestion on energy-efficient accessibility. Results show that congestion-adjusted drive accessibility can be significantly lower compared to accessibility calculated using free flow speeds. Specifically, weekday evening hours saw a 42 % drop in accessibility due to reduced speeds, particularly around downtown Denver. Across the Denver metro region, approximately half as many opportunities and jobs are accessible in under 20 min by car during the evening peak period relative to free flow conditions. These findings underscore the importance of using congestion-adjusted operating speeds rather than speed limits in accessibility calculations, as reliance on speed limits can substantially overestimate energy-efficient drive accessibility in large, car-centric cities susceptible to significant congestion. In conclusion, the methodology presented here could further enrich OSM network data, making them useful for an even broader range of transportation applications.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Aboveground woody biomass estimation of young bioenergy plantations of Populus and its hybrids using mobile (backpack) LiDAR remote sensing

Woody aboveground biomass (AGB) including short-rotation Populus is used as a feedstock for renewable and carbon-neutral bioenergy. While woody AGB can be estimated with allometric equations requiring labor-intensive field data, remote sensing technologies like mobile terrestrial light detection and ranging (LiDAR) can estimate woody AGB quickly and accurately. Therefore, the goals of this study were to develop a model to predict woody AGB of 2-year-old Populus spp. from three taxa (P. deltoides, P. deltoides × P. maximowiczii and P. deltoides × P. trichocarpa) using allometric (height and diameter at breast height (DBH)) or LiDAR-derived metrics from a mobile terrestrial (backpack) system. Likewise, we sought to compare LiDAR-estimated tree height and DBH with field-measured values. We found that a taxa-specific model containing LiDAR-measured tree height, crown volume, and taxa interactions with the height of the 10 th percentile, and the density of the lowest interval (density metric 0) explained 84 % of the variation in woody AGB with a root mean square error (RMSE) of 28.7 % and performed slightly better than the allometric model. The best model excluding taxa had a slightly higher RMSE but lower bias than the allometric model. LiDAR-derived tree heights were highly correlated with field-measured heights, but DBH could not be estimated accurately. Therefore, terrestrial mobile LiDAR systems can accurately estimate woody AGB and tree height of Populus in short rotation systems to aid in the fast and efficient quantification of woody bioenergy production and renewable energy resources.

AGB↗

A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts

Abstract For high-throughput screening of materials for heterogeneous catalysis, scaling relations provides an efficient scheme to estimate the chemisorption energies of hydrogenated species. However, conditioning on a single descriptor ignores the model uncertainty and leads to suboptimal prediction of the chemisorption energy. In this article, we extend the single descriptor linear scaling relation to a multi-descriptor linear regression models to leverage the correlation between adsorption energy of any two pair of adsorbates. With a large dataset, we use Bayesian Information Criteria (BIC) as the model evidence to select the best linear regression model. Furthermore, Gaussian Process Regression (GPR) based on the meaningful convolution of physical properties of the metal-adsorbate complex can be used to predict the baseline residual of the selected model. This integrated Bayesian model selection and Gaussian process regression, dubbed as residual learning, can achieve performance comparable to standard DFT error (0.1 eV) for most adsorbate system. For sparse and small datasets, we propose an ad hoc Bayesian Model Averaging (BMA) approach to make a robust prediction. With this Bayesian framework, we significantly reduce the model uncertainty and improve the prediction accuracy. The possibilities of the framework for high-throughput catalytic materials exploration in a realistic setting is illustrated using large and small sets of both dense and sparse simulated dataset generated from a public database of bimetallic alloys available in Catalysis-Hub.org.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Linear embedding of nonlinear dynamical systems and prospects for efficient quantum algorithms

The simulation of large nonlinear dynamical systems, including systems generated by discretization of hyperbolic partial differential equations, can be computationally demanding. Such systems are important in both fluid and kinetic computational plasma physics. This motivates exploring whether a future error-corrected quantum computer could perform these simulations more efficiently than any classical computer. In this work, we describe a method for mapping any finite nonlinear dynamical system to an infinite linear dynamical system (embedding) and detail three specific cases of this method that correspond to previously studied mappings. Then we explore an approach for approximating the resulting infinite linear system with finite linear systems (truncation). Using a number of qubits only logarithmic in the number of variables of the nonlinear system, a quantum computer could simulate truncated systems to approximate output quantities if the nonlinearity is sufficiently weak. Other aspects of the computational efficiency of the three detailed embedding strategies are also discussed.

97 MATHEMATICS AND COMPUTING↗

Machine Learning Derived Dynamic Operating Reserve Requirements in High-Renewable Power Systems

Accurately forecasting wind and solar power output poses challenges for deeply decarbonized electricity systems. Grid operators must commit resources to provide reserves to ensure reliable operations in the face of forecast errors, a process which can increase fuel consumption and emissions. We apply neural network-based machine learning to expand the usefulness of median point forecast data by creating probabilistic distributions of short-term uncertainty in demand, wind, and solar forecasts that adapt to prevailing grid conditions. Machine learning derived estimates of forecast errors compare favorably to estimates based on incumbent methods. Reserves derived from machine learning are usually smaller than values derived using incumbent methods, which enables fuel savings during most hours. Machine learning reserves are generally larger than incumbent reserves during times of higher forecast error, potentially improving system reliability. Performance is tested using multi-stage production simulation modeling of the California Independent System Operator (CAISO) system. Machine learning reserves provide production cost and greenhouse gas (GHG) emission reductions of approximately 0.3% relative to historical 2019 requirements. Savings in the 2030 timeframe are highly dependent on battery storage capacity. At lower levels of battery capacity, savings of 0.4% from machine learning reserves are shown. Significant quantities of battery storage are expected to be added to meet California's resource adequacy needs and GHG reduction targets. Addition of these batteries saturate reserve needs and results in minimal within-hour balancing costs in 2030.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Toward the fabrication of a 5- μm -resolution Wolter microscope for the National Ignition Facility (invited)

Advancements in computer-controlled polishing, metrology, and replication have led to an x-ray mirror fabrication process that is capable of producing high-resolution Wolter microscopes. Here, we present the fabrication and test of a nickel–cobalt replicated full-shell x-ray mirror that was electroformed from a finely figured and polished mandrel. This mandrel was designed for an 8-m source-to-detector-distance microscope, with 10× magnification, and was optimized to reduce shell distortions that occur within 20 mm of the shell ends. This, in combination with an improved replication tooling design and refined bath parameters informed by a detailed COMSOL Multiphysics® model, has led to reductions in replication errors in the mirrors. Mandrel surface fabrication was improved by implementing a computer-controlled polishing process that corrected the low-frequency mandrel figure error and achieved <2.0 nm RMS convergence error. X-ray tests performed on a pair of mirror shells replicated from the mandrel have demonstrated <10 μm full-width at half-maximum (FWHM) spatial resolution. Here, we discuss the development process, highlight results from metrology and x-ray testing, and define a path for achieving a program goal of 5 μm FWHM resolution.

47 OTHER INSTRUMENTATION↗

A comparison of effective field theory models of redshift space galaxy power spectra for DESI 2024 and future surveys

In preparation for the next generation of galaxy redshift surveys, and in particular the year-one data release from the Dark Energy Spectroscopic Instrument (DESI), we investigate the consistency of a variety of effective field theory models that describe the galaxy-galaxy power spectra in redshift space into the quasi-linear regime using 1-loop perturbation theory. These models are employed in the pipelines velocileptors, PyBird, and Folpsν. While these models have been validated independently, a detailed comparison with consistent choices has not been attempted. After briefly discussing the theoretical differences between the models we describe how to provide a more apples-to-apples comparison between them. We present the results of fitting mock spectra from the AbacusSummit suite of N-body simulations provided in three redshift bins to mimic the types of dark time tracers targeted by the DESI survey. We show that the theories behave similarly and give consistent constraints in both the forward-modeling and ShapeFit compressed fitting approaches. We additionally generate (noiseless) synthetic data from each pipeline to be fit by the others, varying the scale cuts in order to show that the models agree within the range of scales for which we expect 1-loop perturbation theory to be applicable. Finally, this work lays the foundation of Full-Shape analysis with DESI Y1 galaxy samples where in the tests we performed, we found no systematic error associated with the modeling of the galaxy redshift space power spectrum for this volume.

79 ASTRONOMY AND ASTROPHYSICS↗

The completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey: N -body mock challenge for the quasar sample

ABSTRACT The growth rate and expansion history of the Universe can be measured from large galaxy redshift surveys using the Alcock–Paczynski effect. We validate the Redshift Space Distortion models used in the final analysis of the Sloan Digital Sky Survey (SDSS) extended Baryon Oscillation Spectroscopic Survey (eBOSS) Data Release 16 quasar clustering sample, in configuration and Fourier space, using a series of halo occupation distribution mock catalogues generated using the OuterRim N-body simulation. We test three models on a series of non-blind mocks, in the OuterRim cosmology, and blind mocks, which have been rescaled to new cosmologies, and investigate the effects of redshift smearing and catastrophic redshifts. We find that for the non-blind mocks, the models are able to recover fσ8 to within 3 per cent and α∥ and α⊥ to within 1 per cent. The scatter in the measurements is larger for the blind mocks, due to the assumption of an incorrect fiducial cosmology. From this mock challenge, we find that all three models perform well, with similar systematic errors on fσ8, α∥, and α⊥ at the level of $\sigma _{f\sigma _8}=0.013$, $\sigma _{\alpha _\parallel }=0.012$, and $\sigma _{\alpha _\bot }=0.008$. The systematic error on the combined consensus is $\sigma _{f\sigma _8}=0.011$, $\sigma _{\alpha _\parallel }=0.008$, and $\sigma _{\alpha _\bot }=0.005$, which is used in the final DR16 analysis. For baryon acoustic oscillation fits in configuration and Fourier space, we take conservative systematic errors of $\sigma _{\alpha _\parallel }=0.010$ and $\sigma _{\alpha _\bot }=0.007$.

79 ASTRONOMY AND ASTROPHYSICS↗

Inference-Based Quantum Sensing

In a standard quantum sensing (QS) task one aims at estimating an unknown parameter θ, encoded into an n-qubit probe state, via measurements of the system. The success of this task hinges on the ability to correlate changes in the parameter to changes in the system response $\mathscr{R}$⁡(θ) (i.e., changes in the measurement outcomes). For simple cases the form of $\mathscr{R}$⁡(θ) is known, but the same cannot be said for realistic scenarios, as no general closed-form expression exists. Here, in this Letter, we present an inference-based scheme for QS. We show that, for a general class of unitary families of encoding, $\mathscr{R}$⁡(θ) can be fully characterized by only measuring the system response at 2⁢n+1 parameters. This allows us to infer the value of an unknown parameter given the measured response, as well as to determine the sensitivity of the scheme, which characterizes its overall performance. We show that inference error is, with high probability, smaller than δ, if one measures the system response with a number of shots that scales only as Ω⁢(log 3 ⁡(n)/δ 2 ). Furthermore, the framework presented can be broadly applied as it remains valid for arbitrary probe states and measurement schemes, and, even holds in the presence of quantum noise. We also discuss how to extend our results beyond unitary families. Finally, to showcase our method we implement it for a QS task on real quantum hardware, and in numerical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Practical Challenges in Real-Time Demand Response

We report on a real-time demand response experiment with 100 controllable devices. The experiment reveals several key challenges in the deployment of a real-time demand response program, including time delays, uncertainties, characterization errors, multiple timescales, and nonlinearity, which have been largely ignored in previous studies. To resolve these practical issues, we develop and implement a two-level multi-loop control structure integrating feed-forward proportional-integral controllers and optimization solvers in closed loops, which eliminates steady-state errors and improves the dynamical performance of the overall building response. Furthermore, the proposed methods are validated by Hardware-in-the-Loop (HiL) tests.

24 POWER TRANSMISSION AND DISTRIBUTION↗

bibcheck

SAND2026-16981O Bibcheck is designed to extract bibliographies from research papers and perform metadata searches to identify errors. It assists authors in checking their bibliographies for metadata errors during the writing process and helps reviewers identify errors in bibliographies of papers under review. The software uses large language models (LLMs) to extract bibliography entries from PDF documents, classifies the type of bibliography entry, and verifies referenced works. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Pearson, Carl [Sandia National Lab. (SNL-CA), Live↗

LANL Critical Benchmark Comparison Study and Subsequent Revision for Cases Involving LEU and MIX

As part of an international collaboration within the DOE Nuclear Criticality Safety Program (NCSP), LANL is involved in a comparison study to quantify differences in k-effective results from neutron transport simulations of critical benchmark experiments. The DOE NCSP Mission and Vision details the activity in which the French Institut de Radioprotection et de Sûreté Nucléaire (IRSN) leads the study with LANL, ORNL, and LLNL to compare results of various neutron transport codes and nuclear data libraries for ICSBEP benchmarks held in common by the entities. The task statement from the DOE NCSP Five-Year Execution Plan is given as: "The proposal is for IRSN to lead a new intercomparison based on the MORET code with the latest JEFF-3.3 data and ENDF/B-VIII.0 data, when available, using their existing comprehensive selection of 2,714 benchmarks and collate their results together with those from LLNL (COG), LANL (MCNP) and ORNL (SCALE). Due to the large number of benchmarks involved, this effort is envisioned to take three years with an additional year for IRSN to complete a summary report. The benchmark development will be performed independently to minimize modeling errors through discovery and resolution of discrepant results. A summary report will be generated (led by IRSN) to document the results of this study." This report documents results obtained for revisions made to cases involving Intermediate Enriched Uranium (IEU) and a mixture of Pu and Uranium (MIX), with a focus on the changes made to LANL benchmarks modeled with MCNP6 using ENDF/B-VII.1 nuclear data that appeared to have discrepant results when compared with results of other codes. Feedback was used to pinpoint review of particular benchmark input files and to revise them when necessary. This report documents the results of review and revision of specific benchmarks highlighted as possibly discrepant in the comparison study. In addition, there is an effort tied to this work involving collaboration between LANL XCP and NCS Divisions in the development of a shared review/revision procedure and use of a new benchmark repository.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Erratum to: Data Fusion to Support Integrated Nuclear Detonation Detection [Slides]

The original document (LA-UR-22-29547) contained minor equation errors that approximate correct equations that couple the multi-sensor, serial system detector thresholds for a seismic Rayleigh wave detector and an acoustic energy detector. Those errors appeared on slides 62-67. This erratum associates the following slides with the erroneous slides. The numbers of the erroneous slides are marked at the upper right in small text in orange. A result of those errors over-predict the performance of the two-sensor serial network, that is, the former document provides an optimistic estimate of system performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗