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At least 1,117 records · Page 62

Self-supervised and multi-fidelity learning for extended predictive soil spectroscopy

Infrared spectroscopy is a cost-effective, non-destructive, and environmentally benign technology that is increasingly recognized as an important solution for meeting the global demand for soil data. While both near-infrared (NIR) and mid-infrared (MIR) diffuse reflectance spectroscopy enable rapid estimation of soil properties, they present a significant trade-off: NIR offers superior scalability and lower operational costs, whereas MIR provides higher analytical fidelity by capturing fundamental molecular vibrations. In this study, we propose a self-supervised, multi-fidelity learning framework designed to bridge this gap. Our approach leverages large-scale MIR spectral libraries to learn a compact, transferable latent representation, into which NIR spectra are subsequently aligned for downstream prediction. The workflow consists of pretraining a latent model on a large MIR library, adapting the representation using a smaller paired NIR–MIR dataset, and evaluating generalization on an independent external test set. Across a range of chemical and physical soil properties, we found that MIR-derived embeddings improved prediction accuracy relative to baseline models that used raw MIR inputs. Predictions derived from the spectrum conversion (NIR to MIR) task did not match the performance of the original MIR spectra but were similar or superior to predictive performance of NIR-only models, suggesting the unified spectral latent space can effectively leverage the larger and more diverse MIR dataset for prediction of soil properties not well represented in current NIR libraries.

54 ENVIRONMENTAL SCIENCES↗

NeRVI: Compressive neural representation of visualization images for communicating volume visualization results

We present NeRVI, a new deep-learning approach that compresses a large collection of visualization images generated from time-varying data for communicating volume visualization results. Based on an image-based implicit neural representation, our approach represents tens of thousands of high-resolution rendering images parametrized by different parameters via a hybrid model of multilayer perceptrons and convolutional neural networks. Here, our model predicts images and corresponding masks, and the masks are utilized for loss computation and network training to capture fine structural details and small components. In conjunction with model quantization and weight encoding, NeRVI yields highly compact compressive neural representations while preserving the image fidelity well. We demonstrate the effectiveness of NeRVI with isosurface rendering and direct volume rendering images generated from multiple data sets and compare NeRVI with other state-of-the-art deep learning-based (InSituNet, SIREN, NeRF, and NeRV) methods. Quantitative and qualitative results show that NeRVI provides an alternative solution that augments domain scientists' ability to manage, represent, and communicate scientific visualization output.

97 MATHEMATICS AND COMPUTING↗

Cybersecurity Center for Offshore Wind Energy (Final Project Report)

This project establishes a Cybersecurity Center for Offshore Wind Energy with the objective of designing and operating a cyber-physical testbed for wind energy farms (WEFs) that enables comprehensive cybersecurity research. The testbed incorporates a Supervisory Control and Data Acquisition (SCADA) system connected to turbine models via industrial-grade programmable logic controllers (PLCs) and remote terminal units (RTUs). It supports side-channel data acquisition, implementation and analysis of various cyberattack scenarios, and development of attack detection, mitigation, and best-practice guidance tailored to wind energy systems. During the project, the team expanded the number and fidelity of mathematical turbine models (MTMs), integrated these models with SCADA infrastructure, and deployed a scaled physical turbine and associated sensors. High-resolution operational and side-channel data streams were collected and used to refine machine-learning (ML)-based attack detection systems and to extend the WindCRAFT framework to multi-turbine threat scenarios. The project demonstrated a realistic, scalable environment for evaluating cyber threats, validated attack detection approaches using enriched datasets, and identified new multi-turbine and inter-turbine communication attack vectors. The resulting testbed, models, and security mechanisms provide a foundation for ongoing R&D and deployment of cyber-resilient offshore wind energy systems.

17 WIND ENERGY↗

The Seasat-A Synthetic Aperture Imaging Radar System

The Seasat-A Synthetic Aperture Imaging Radar System is the first radar system of its kind designed for orbital use. The requirement of this system is to generate continuous radar imagery with a 100-km swath with 25 m resolution from an orbital altitude of 800 km. These requirements impose unique system design problems and a description of the implementation will be given. The end to end data system will be described including interactions of the spacecraft, antenna, sensor, telemetry link, and data processor. The synthetic aperture radar system generates a large quantity of data (110 megabits per second) requiring the use of a dedicated data link. The data link selected for use with the synthetic aperture radar is an analog link with stable local oscillator encoding. The problems associated in telemetering the radar information with sufficient fidelity to synthesize an image on the ground will be described as well as the selected solutions to the problems. The interactions between the antenna attitude control system, rotation of the earth and the data processor will be described as well as proposed solutions, both optical and digital, to generate final imagery with the required 25 m resolution.

Jordan, R. L.↗

Oklo Sponsored Testing using PELICAN: System, Subchannel, and High-Fidelity Software Validation (Final CRADA Report)

Argonne National Laboratory (the Contractor), located in Lemont IL, and Oklo, Inc., (the Participant), headquartered in Santa Clara, CA, propose to enter into a Cooperative Research and Development Agreement (CRADA) to perform a gap analysis of thermal hydraulic data, perform prototypical fuel assembly pressure drop and cavitation model validation, generate the experimental data as well as the corresponding uncertainties for this matrix and, finally, develop the validation models with the Argonne system level code SAS4A/SASSYS-1, the Argonne subchannel analysis code DASSH, the Argonne high fidelity code Nek5000, and/or the Idaho National Laboratory code Pronghorn Subchannel. The work outlined below will significantly improve the experimental and validation database currently available for liquid metal fast reactors, thus making it a viable part of a comprehensive reactor design and licensing suite to be used by the participant.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The Atacama Cosmology Telescope: A Measurement of the 600 less than l less than 8000 Cosmic Microwave Background Power Spectrum at 148 GHz

We present a measurement of the angular power spectrum of the cosmic microwave background (CMB) radiation observed at 148 GHz. The measurement uses maps with 1.4' angular resolution made with data from the Atacama Cosmology Telescope (ACT). The observations cover 228 deg(sup 2) of the southern sky, in a 4 deg. 2-wide strip centered on declination 53 deg. South. The CMB at arc minute angular scales is particularly sensitive to the Silk damping scale, to the Sunyaev-Zel'dovich (SZ) effect from galaxy dusters, and to emission by radio sources and dusty galaxies. After masking the 108 brightest point sources in our maps, we estimate the power spectrum between 600 less than l less than 8000 using the adaptive multi-taper method to minimize spectral leakage and maximize use of the full data set. Our absolute calibration is based on observations of Uranus. To verify the calibration and test the fidelity of our map at large angular scales, we cross-correlate the ACT map to the WMAP map and recover the WMAP power spectrum from 250 less than l less than 1150. The power beyond the Silk damping tail of the CMB (l approximately 5000) is consistent with models of the emission from point sources. We quantify the contribution of SZ clusters to the power spectrum by fitting to a model normalized to sigma 8 = 0.8. We constrain the model's amplitude A(sub sz) less than 1.63 (95% CL). If interpreted as a measurement of as, this implies sigma (sup SZ) (sub 8) less than 0.86 (95% CL) given our SZ model. A fit of ACT and WMAP five-year data jointly to a 6-parameter ACDM model plus point sources and the SZ effect is consistent with these results.

Fowler, J. W.↗

Approximate recoverability and relative entropy II: 2-positive channels of general von Neumann algebras

Abstract We generalize our results in paper I in this series to quantum channels between general von Neumann algebras, proving the approximate recoverability of states which undergo a small change in relative entropy through the channel. To this end, we derive a strengthened form of the quantum data processing inequality for the change in relative entropy of two states under a channel between two von Neumann algebras. Compared to the usual inequality, there is an explicit lower bound involving the fidelity between the original state and a recovery channel.

97 MATHEMATICS AND COMPUTING↗

Aerothermodynamic Measurements of Hypersonic Non-Equilibrium Flows

High enthalpy arc-jets are unique facilities particularly suited for producing complex flows in the aerospace field, such as the aerothermodynamics of a re-entry vehicle. Arc-jets are often used to evaluate important design factors that include heat shield materials and vehicle design. Characterization of these facilities is important, as studies often aim to match specific in-flight environments during experiments. Due to the complex environment produced by an arc-jet, with effects such as thermodynamic and chemical non-equilibrium occurring in the flow, characterization experiments are significantly more difficult than in conventional blow-down wind tunnels. The current work aims to characterize an arc-jet facility through spatially-resolved measurements of flow unsteadiness, temperature, and velocity. To achieve this goal, a non-intrusive imaging technique called “planar laser-induced fluorescence” was performed in the NASA Langley Hypersonic Materials Environmental Test System arc-jet facility. The experimental data was analysed to produce the quantitative measurements in multiple regions of the flow around a blunt body specimen. A three-temperature low fidelity numerical solver was created to simulate the flow in order to investigate thermal non-equilibrium effects occurring outside the imaging region in the arc-jet nozzle. Unsteadiness in the test section of the arc-jet was minimized by analyzing a subset of data assessing the gas injection configuration. Radial velocity, rotational temperature and translational temperature measurements are provided that can be used to validate future computational studies. The temperature measurements revealed rotational non-equilibrium occurring behind the bow-shock near the specimen surface. Computational results show the facility is capable of producing thermal non-equilibrium flow in the arc-jet nozzle. This work provides the first experimental and computational evidence of thermal trans-rotational non-equilibrium occurring in multiple regions of this arc-jet facility. Significant improvements to the methodology are also identified as recommendations for future arc-jet characterization studies.

Laser induced fluorescence↗

Parameters Impacting Columnated Granular Soil Pneumatic Seal Performance

The ability of a column of loose granular soil to form a pneumatic seal was investigated by varying the diameter of the soil column, the effective column height, and the level of compaction in the soil. The soil column diameter was tested at three levels using pipes with inner diameters measuring 5.08, 10.16, and 15.24 centimeters (2, 4, and 6 inches). Soil was filled in each pipe to form 15, 30, and 45 centimeter (6, 12, and 18 inch) tall soil columns. Each diameter/height configuration was also tested at three levels of soil compaction, compared by calculating the bulk density of the soil with mass and volume measurements. GRC-1a simulant was used, with approximate low/medium/high bulk densities of 1.6, 1.75, and 1.9 g/cc achieved with a combination of vibration and tamping. The order of tests for a given column diameter was randomized and repeated three times. With the top of the soil open to atmosphere at room temperature, compressed air was injected through a small diffuser at the column base with several small downward-facing holes. The number and size of these holes was scaled such that a constant total inlet orifice area to column cross sectional area ratio was maintained for each column diameter. Inlet air pressure was slowly increased via a precision regulator to preserve quasi-static equilibrium in the soil column to minimize the impact of dynamics. Air pressure was increased all the way through the static and bubbling regimes until slugging or turbulent behavior was observed in the soil to ensure that the entire static regime had been captured during data collection. A three-factor, three-level analysis of variance (ANOVA) statistical analysis was performed on the resulting data to determine the extent to which each physical parameter impacted the soil column seal performance. It was concluded that there is statistically significant evidence that column height, and the interaction between column height and diameter impact soil seal performance. In all other cases there was insufficient data to identify a statistically significant causal relationship. Additionally, plots were generated comparing experimental data to the predictive formula developed by Ogino et al. for fluidized beds in 1993. Because this model was developed for industrial spouted fluidized beds, the accuracy of its output prior to fluidization in the static seal ‘edge case’ is unknown, especially considering in this application the working gas was diffused across the column base rather than being injected through a spout. Further, the fidelity of the model had not yet been tested with lunar soil simulants. Plotting the Ogino et al. model alongside test data allows for a more intuitive sense of the impact of test parameters on soil seal performance, as well as providing a quick means to further tune this predictive model for more accurate use with static seals across granular lunar soil simulants. The model provided by Ogino et al. was further tuned using test data to determine the degree to which a spouted bed model could be applied to a slightly modified set of testing conditions: lunar soil simulants and a more diffuse, homogeneous application of pneumatic pressure. A Matlab script was created to test different values for the leading coefficient and exponents in Ogino’s formula. The script swept preset ranges, then iterated with higher resolutions across narrower ranges to converge on the optimal value for each parameter. The resulting adjusted model was compared to the original, as well as test data with noticeable improvements across the entire test domain.

Jack Stewart↗

3D high-fidelity automated neutronics guided optimization of fusion blanket designs

The compact Fusion Pilot Plant (FPP) is defined in the recent National Academies of Sciences, Engineering, and Medicine report as the next step of fusion energy demonstration with a $50$ MWe peak net electricity production, $Q_e$ greater than $1$, and at least $3$ hours of continuous operation. This fusion pilot plant will be a test bed enabling materials, designs, and fuel management assessment, and it will represent an engineering challenge because of its high-fusion power and compact design targets. Previous reactor data is limited to experiments operating in different design space ranges. Therefore, design iterations and assessments should rely on high-fidelity first-principle theoretical and computational models. The high-fidelity integrated modeling of the plasma is a fundamental part of fusion energy research. However, the whole device modeling is often neglected, utilizing low-fidelity, system-level analysis. Recently, the need for high-fidelity multi-physics modeling was recognized, resulting in a selection of integrated tools. Further, autonomous design optimization requires a streamlined framework that perturbs the design point, reruns the analysis, and examines the outputs. However, high-fidelity analysis requires complex geometry specification that is difficult to perturb. This work presents the parametric CAD generation tool TRACER and a new neutronic workflow. TRACER allows the perturbation of the geometry representation, creating geometry files ready for further analysis. The streamlined neutronic workflow allows efficient and accurate calculations. The two new tools coupled together were used to perform a 3D high-fidelity multi-objective, multi-input optimization of an "ARC Class" compact tokamak design. The workflow was driven by an optimization driver for full automation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Advanced Modeling and Simulation Methods for Evaluation of Thermal Neutron Scattering Materials

With the rise of interest in thermal neutron scattering data for advanced reactor, criticality safety, and shielding applications, new experimental data are required for evaluation of new materials or for re-evaluation (or validations) of previously evaluated materials. New experimental data are evaluated in a three-step process: (1) computing the phonon characteristics, (2) computing the dynamic structure factor (DSF) from the data, and (3) using the experimental setup to simulate the experimental data. All three steps have challenges, ranging from the need for a sufficiently general material simulation code—a processing code that can compute the corresponding DSF—to having a detailed layout of the instrument/beamline/facility where the data were measured. Whereas phonon characteristics of materials can be computed using various methods (molecular dynamics, density functional theory, etc.), a high-fidelity computation of the DSF and the simulation of the experiment based on the DSF is vital to the accuracy of the evaluation. The latter two steps can be achieved by using the two corresponding code systems developed by instrument scientists at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory: (1) OCLIMAX, a program that calculates the dynamic structure factor from DFT and MD simulation results, and (2) MCViNE, a Monte Carlo neutron ray-tracing program designed to simulate neutron scattering experiments. Recently, polyethylene and yttrium hydride were measured at the Wide Angular-Range Chopper (ARCS) and SEQUOIA instrument stations of the SNS. These experiments are simulated using the density functional theory code, the Cambridge Serial Total Energy Package (CASTEP), to compute its phonon characteristics (eigenvalues/vectors and PDOS), which is then processed using OCLIMAX to yield the DSF, and finally the data at each instrument station are simulated by the MCViNE for comparison to the measured data for evaluation. For comparison to conventional evaluation methods, the scattering data processed from OCLIMAX are compared against those processed from the LEAPR module of NJOY, and the results from MCViNE simulations are compared against previously used simplified beamline models implemented in the Monte Carlo N-Particle (MCNP) code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Surrogate Modeling of High-Fidelity Fracture Simulations for Real-Time Residual Strength Predictions

A surrogate model methodology is described for predicting in real time the residual strength of flight structures with discrete-source damage. Starting with design of experiment, an artificial neural network is developed that takes as input discrete-source damage parameters and outputs a prediction of the structural residual strength. Target residual strength values used to train the artificial neural network are derived from 3D finite element-based fracture simulations. A residual strength test of a metallic, integrally-stiffened panel is simulated to show that crack growth and residual strength are determined more accurately in discrete-source damage cases by using an elastic-plastic fracture framework rather than a linear-elastic fracture mechanics-based method. Improving accuracy of the residual strength training data would, in turn, improve accuracy of the surrogate model. When combined, the surrogate model methodology and high-fidelity fracture simulation framework provide useful tools for adaptive flight technology.

Spear, Ashley D.↗

Analog Testing of Operations Concepts for Mitigation of Communication Latency During Human Space Exploration

OBJECTIVES: NASA Extreme Environment Mission Operations (NEEMO) is an underwater spaceflight analog that allows a true mission‐like operational environment and uses buoyancy effects and added weight to simulate different gravity levels. Three missions were undertaken from 2014‐2015, NEEMO's 18‐20. All missions were performed at the Aquarius undersea research habitat. During each mission, the effects of varying operations concepts and tasks type and complexity on representative communication latencies associated with Mars missions were studied. METHODS: 12 subjects (4 per mission) were weighed out to simulate near‐zero or partial gravity extravehicular activity (EVA) and evaluated different operations concepts for integration and management of a simulated Earth‐based science backroom team (SBT) to provide input and direction during exploration activities. Exploration traverses were planned in advance based on precursor data collected. Subjects completed science‐related tasks including presampling surveys, geologic‐based sampling, and marine‐based sampling as a portion of their tasks on saturation dives up to 4 hours in duration that were to simulate extravehicular activity (EVA) on Mars or the moons of Mars. One‐way communication latencies, 5 and 10 minutes between space and mission control, were simulated throughout the missions. Objective data included task completion times, total EVA times, crew idle time, translation time, SBT assimilation time (defined as time available for SBT to discuss data/imagery after it has been collected, in addition to the time taken to watch imagery streaming over latency). Subjective data included acceptability, simulation quality, capability assessment ratings, and comments. RESULTS: Precursor data can be used effectively to plan and execute exploration traverse EVAs (plans included detailed location of science sites, high‐fidelity imagery of the sites, and directions to landmarks of interest within a site). Operations concepts that allow for presampling surveys enable efficient traverse execution and meaningful Mission Control Center (MCC) interaction across long communication latencies and can be done with minimal crew idle time. Imagery and information from the EVA crew that is transmitted real‐time to the intravehicular (IV) crewmember(s) can be used to verify that exploration traverse plans are being executed correctly. That same data can be effectively used by MCC (across comm latency) to provide further instructions to the crew from a SBT on sampling priorities, additional tasks, and changes to the plan. Text / data capabilities are preferred over voice capabilities between MCC and IV when executing exploration traverse plans over communication latency. Autonomous crew planning tools can be effective at modifying existing plans if the objectives and constraints are clearly defined.

Chappell, Steven P.↗

Effect of adaptive cruise control on fuel consumption in real-world driving conditions

This paper presents a comprehensive analysis of the impact of adaptive cruise control on energy consumption in real-world driving conditions based on a natural experiment: a large-scale observational dataset of driving data from a diverse fleet of vehicles and drivers. The analysis is conducted at two different fidelity levels: (1) a macroscopic trip-level benefit estimate that compares trips with and without cruise control in a counterfactual way using statistical methods, and (2) a situation-based comparison achieved through the segmentation of trips into distinct driving situations such as acceleration, braking, cruising, and other maneuvers. The results of this research show that the effect of cruise control on energy consumption varies across different driving situations and levels of analysis. In a macroscopic trip-level analysis, cruise control engagement is associated with a slight increase in fuel consumption across the fleet. As revealed later by the situation-based analysis, this result can be attributed to the negative impact of cruise control on energy consumption in cruising mode, which is the most common driving situation. However, the situation-based comparison demonstrates that cruise control can provide fuel consumption benefits in situations involving acceleration and braking, particularly when a preceding vehicle is present. The study also emphasizes the importance of controlling for various factors that can influence both fuel consumption and the likelihood of cruise control engagement to properly evaluate its effects.

33 ADVANCED PROPULSION SYSTEMS↗

Neural network potentials with effective charge separation for non-equilibrium dynamics of ionic solids: a ZnO case study

Developing neural network potentials (NNPs) accurate under non-equilibrium dynamics is challenging, as such systems require extensive sampling beyond equilibrium phases. Here we construct high-fidelity NNPs for zinc oxide (ZnO), a polymorphic ionic solid, using density functional theory (DFT) reference data. To efficiently capture transitional configurations, we combine enhanced-sampling molecular dynamics with empirical potentials, data distillation, and pretraining on short-range atomic energies (A-Train), followed by transfer learning with DFT-relabeled datasets. This hierarchical approach improves transferability across polymorphs and stress states. We further introduce effective charge separation, treating long-range Coulombic terms analytically while short-range residual interactions are learned by the NNP. The optimal effective charges fall in the range 0.5–1.0 q e , consistent with dielectric-screened values derived from formal charges but distinct from Bader estimates. Motivated by this observation, we propose a simple data-driven protocol in which effective charges are optimized by comparing DFT reference energies with explicit Coulomb calculations, without additional NNP training. This strategy improves accuracy and transferability in DFT-level predictions of energies, forces, and stress. Together, these results provide a practical charge-selection framework for robust NNP development in ionic solids, enabling reliable simulation of polymorphic phase transformations and non-equilibrium dynamics.

Chemistry↗

A comparative analysis of YOLOv8 and U-Net image segmentation approaches for transmission electron micrographs of polycrystalline thin films

Metallic thin films offer a platform to experimentally study the dynamics of microstructural evolution, but the required transmission electron microscopy (TEM)-based imaging generates complex images that are challenging to segment and quantify. This work provides a comparative analysis of a new YOLOv8 model and an established U-Net model for bright-field TEM images of polycrystals, employing a framework leveraging physical observables to evaluate performance against two hand-traced benchmark datasets. This methodology obviates the comparison of large, diversely structured, and manually labeled datasets that are required to assess performance on a per-image/per-pixel basis. It is found that the YOLOv8 model, adapted for real-time instance segmentation, has up to 43× faster inferencing (NVIDIA GeForce RTX 4090) compared to U-Net and reconstructs hand-traced grain size distributions (GSDs) with excellent fidelity, finding mean diameter within 3% for grains near an optimal magnification; for grains that deviate from the optimal pixel-diameter, the size of small- (large)-diameter grains is systematically over- (under)-estimated. This is partially mitigated by including scale-aware augmentations during training. Moreover, when the bias is corrected post-inference by a rigid shift in distribution, the YOLOv8 model reproduces ground truth GSDs with exceptional fidelity, with statistical tests indicating <5% probability that the distributions are distinct. Based on ground truth data, calibration curves pertaining to this shift can be constructed for a given model. This issue is not present in the U-Net model’s results, indicating that for quantitative measurements where the true size of objects is of interest, special procedures must be implemented for YOLO-based models.

36 MATERIALS SCIENCE↗

Measurements of Density and Sound Speed in Mixtures Relevant to Supercritical CO2 Cycles

Abstract The objective of this research is to validate properties of mixtures relevant to supercritical carbon dioxide (sCO2) power cycles. Direct-fired sCO2 cycles are a promising technology for the future power generation systems. The working fluid of sCO2 cycles will be near and above critical point of CO2. One of the challenges is that the simulation of mixtures should consider real gas behavior. Expected operating conditions of Allam cycles reach up to 300 bar and 1000 °C. Characterizing the mixtures at the extreme conditions is an important issue in current researches and industrial applications. Thermophysical properties of mixtures may be beyond the valid range of the widely used database such as NIST REFPROP. Experimental data of mixture properties in the literature are limited which is necessary to develop high-fidelity design tools for sCO2 power cycles. We measured the density and sound speed of several multi-component mixtures. A temperature-controlled high-pressure test cell was used for the density measurements. Sound speed was measured by resonant frequency detection using an external speaker and a piezoelectric pressure sensor. Mixtures studied in this work include carbon dioxide, methane, oxygen, and water vapor. Properties of pure CO2 were measured to show the validity of our technique. Compositions were selected to be close to frozen mixtures at the inlet, mid-progress, and exhaust conditions of a model sCO2 combustor in the previous numerical simulation work. Corresponding reaction progress variables (RPV) were RPV = 0, 0.5, and 1. Temperature and pressure conditions of experiments are 310–450 K and 0–150 bar. In our study, density and sound speed from the NIST REFPROP database agree with experimental measurements within the range of our measurement uncertainties.

Energy & Fuels↗