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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6

EGS Collab Experiment 2: Microseismic Monitoring

This dataset contains continuous seismic waveform data recorded during stimulation and thermal circulation tests for the Enhanced Geothermal Systems (EGS) Collab Experiment #2, conducted from February to September 2022 at the Sanford Underground Research Facility in Lead, South Dakota. This experiment aimed to study and validate models of geothermal systems by injecting high-pressure fluids into rock formations 1200-1500 meters below the surface, inducing microseismic events. The seismic monitoring system included 16 three-component accelerometers and a 24-channel hydrophone array, installed in boreholes surrounding the test area. Data were recorded at high sampling rates using a continuous waveform recording system to monitor seismic activity in real time. The dataset contains the raw data stored in binary format, with files named based on timestamps, and includes calibration certificates for some sensors to facilitate corrections to real units. Users are strongly advised to consult the accompanying detailed report, which outlines the experimental setup, sensor specifications, installation procedures, and data processing methods. The report also describes important nuances, such as the hardware filters on hydrophones, sensor calibration details, and the naming conventions for the recorded data. Proper use of this dataset may require familiarity with seismic data analysis tools, such as the Obspy Python package, and an understanding of the SEED naming conventions used for channel identification.

15 GEOTHERMAL ENERGY↗

Universal Injector at LERF – Baseline Design

A new electron injector complex has been proposed within the Low Energy Recirculating Facility (LERF) vault, which would serve both the 22 GeV CEBAF and the positron programs, while being compatible with the electron source required to produce positrons for Ce+BAF. The baseline design of a 3-pass recirculator features a main linac configured with three cryomodules, five isochronous arcs and three straight sections, allowing electron beam acceleration up to 650 MeV. The injector offers the flexibility to extract 1-pass and 2-pass energy electrons, as needed for positron production, with final reconfiguration to a 3-pass 650 MeV injector for 22 GeV CEBAF. This paper provides an overview of the baseline design of the Universal injector complex, including the 8 MeV injector and the recirculator. A comprehensive suite of beam dynamics studies to validate our design is being launched, starting with start-to-end tracking with Elegant followed by the orbit correction and error mitigation.

Bogacz, A. [Thomas Jefferson National Accelerator ↗

‘Universal Injector’ at LERF - Layout and Optics Architecture

Here, we present a next level design of a compact injector within the LERF vault, which would serve both the 22 GeV CEBAF and the positron program, while being compatible with the electron source required to produce positrons for Ce+BAF. The baseline design of a 3-pass recirculator features a main linac configured with three C-75 cryo-modules, five isochronous return arcs and three straight sections, facilitating electron beam acceleration up to 650 MeV. The Universal Injector offers flexibility of extraction 1-pass and 2-pass energy electrons, as needed for positron production, with a final 3-pass extraction required by the 650 MeV injector for 22 GeV CEBAF. This note provides an overview of the baseline optics design of the Universal Injector complex, including the 8 MeV injector merger and the recirculator racetrack, including individual extraction lines for all three passes. A comprehensive suite of beam dynamics studies to validate the design is under way; starting with the orbit correction scheme, followed by start-to-end tracking with lattice misalignments and magnet errors.

Bogacz, Alex [Thomas Jefferson National Accelerato↗

Analysis on Evaluations of Monterey Bay Aquarium Research Institute’s Wave Energy Converter’s Field Data Using WEC-Sim and Gazebo: A Simulation Tool Comparison

Although many studies have validated wave energy converter (WEC) numerical models against scaled prototype experimental data, there remains a notable lack of validation using data from full-scale deployed WECs. This paper compares two numerical models of Monterey Bay Aquarium Research Institute’s Wave Energy Converter (MBARI-WEC), a two-body point absorber with an electro-hydraulic power take-off system (PTO). The models are implemented in WEC-Sim/Simscape and Gazebo Simulator. A statistical analysis of the models was performed, and field results were obtained to compare the models’ accuracy in predicting the RMS piston velocity, RMS motor speed, and mean electric power compared to field data for 56 observations across varying sea states. The Gazebo model demonstrated a closer agreement across all three parameters for a majority of the observations. When compared to the field data, the Gazebo and WEC-Sim models exhibited average mean electric power overestimations of 13% and 22%, respectively.

16 TIDAL AND WAVE POWER↗

Commercialization of the NLR Hydrogen Wide Area Monitor (HyWAM): Cooperative Research and Development (Final Report)

Hydrogen wide area monitoring refers to the temporal and quantitative 3-dimenasional spatial profiling of hydrogen plumes following either intentional or unintentional hydrogen releases. A hydrogen wide area monitor (HyWAM) would have applications as a research tool, for example to provide empirical data on the behavior of hydrogen dispersions following a release, which in turn can be used to validate modelling studies. Support of modeling studies and commercial applications are interrelated, since modeling can serve to guide HyWAM deployment for enhanced safety within medium to large scale hydrogen operations, such as those envisioned by H2@Scale.

08 HYDROGEN↗

Statistical Validation of Multiple Related Data Sets—Case Study Using Interstellar Boundary Explorer Satellite Data

Abstract Space scientists often face the question of whether data collected by different instruments are measurements of the same source population. This paper proposes a statistical validation method for evaluating the agreement between such related data sets. It offers a detailed case study focused on validating a new data set from the Interstellar Boundary Explorer (IBEX) mission, which serves as a practical how-to guide for similar analyses. Since 2008, the IBEX satellite has been gathering data on heliospheric energetic neutral atoms (ENAs) while being exposed to various sources of background noise, such as cosmic rays and solar energetic particles. The IBEX mission initially released only a qualified triple-coincidence (qABC) data product, which was designed to provide observations of ENAs free of background contamination. Further measurements revealed that the qABC data were in fact susceptible to contamination, having relatively low ENA counts and high background rates. To mitigate this issue, the mission team recently considered releasing a certain qualified double-coincidence (qBC) data product, which has roughly twice the detection rate of the qABC data product. This paper presents a simulation-based validation of the new qBC data product against the already-released qABC data product. The results show that the qBCs can plausibly be said to be measuring the same source population as the qABCs up to an average absolute deviation of 3.6%. Visual diagnostics provide additional confirmation of source rate coherence across data products. The framework introduced here is general and can be applied to other validation problems both within and outside the field of space physics.

79 ASTRONOMY AND ASTROPHYSICS↗

Validation of Photovoltaic Modeling Tool Solargraf Against Measured Data

Solargraf is a cloud-based 3D design tool by Enphase Energy that allows users to design solar and storage systems with a variety of elements. Through a Cooperative Research and Development Agreement (CRADA), Enphase Energy collaborated with the National Renewable Energy Laboratory (NREL) to validate Solargraf's 3D design simulation against measured PV system performance. This study follows the same methodology of similar validation studies completed at NREL. The predicted performance results from simulations in both Solargraf and NREL's System Advisor Model (SAM) tool were compared with measured data to evaluate performance predictions.

14 SOLAR ENERGY↗

Fast and accurate calculation of EXAFS Debye-Waller factors in U⁢O2 using the dynamical matrix method

Theoretical modeling of bonding dynamics in metal oxides is required for predicting their thermal conductivity, catalytic activity, and mechanical properties. A primary challenge is the scarcity of experimental methods for validating theoretical predictions of these atomic-scale dynamics. This work presents a workflow that uses experimental extended x-ray absorption fine structure (EXAFS) data collected at high temperatures to validate an interatomic force field for uranium dioxide (UO2), an important model material. The validated force field is then used to drive computationally intensive molecular dynamics (MD) simulations and as input for the much faster dynamical matrix Debye-Waller (DMDW) method. The predicted values of the Debye-Waller factors from the DMDW calculations are in good agreement with those obtained from the MD simulations, with residual pair-specific differences attributable to quantum zero-point motion at low temperatures and lattice anharmonicity at high temperatures. We further show that theoretical EXAFS spectra constructed directly from DMDW-derived Debye-Waller factors reproduce the experimental data (at relatively low temperatures) with accuracy comparable to full MD-EXAFS, providing an additional validation of the choice of the potential. This study establishes a validated, rapid computational pathway for modeling bond dynamics, naturally incorporating quantum nuclear\\\\r\\\\nstatistics absent in classical simulations, which are essential for the mechanistic understanding of complex oxide materials.

58 GEOSCIENCES↗

Validation and Calibration of Energy Models with Real Vehicle Data from Chassis Dynamometer Experiments

Accurate estimation of vehicle fuel consumption typically requires detailed modeling of complex internal powertrain dynamics, often resulting in computationally intensive simulations. However, many transportation applications-such as traffic flow modeling, optimization, and control-require simplified models that are fast, interpretable, and easy to implement, while still maintaining fidelity to physical energy behavior. This work builds upon a recently developed model reduction pipeline that derives physics-like energy models from high-fidelity Autonomie vehicle simulations. These reduced models preserve essential vehicle dynamics, enabling realistic fuel consumption estimation with minimal computational overhead. While the reduced models have demonstrated strong agreement with their Autonomie counterparts, previous validation efforts have been confined to simulation environments. This study extends the validation by comparing the reduced energy model's outputs against real-world vehicle data. Focusing on the MidSUV category, we tune the baseline Autonomie model to closely replicate the characteristics of a Toyota RAV4. We then assess the accuracy of the resulting reduced model in estimating fuel consumption under actual drive conditions. Our findings suggest that, when the reference Autonomie model is properly calibrated, the simplified model produced by the reduction pipeline can provide reliable, semi-principled fuel rate estimates suitable for large-scale transportation applications.

42 ENGINEERING↗

Multistage economic MPC for systems with a cyclic steady state: A gas network case study

Multistage model predictive control (MPC) provides a robust control strategy for dynamic systems with uncertainties and a setpoint tracking objective. Moreover, extending MPC to minimize an economic cost instead of tracking a pre-calculated optimal setpoint improves controller performance. This paper presents a novel multistage economic nonlinear model predictive control (E-NMPC) framework for dynamic systems operating under uncertainty, with specific application to natural gas transmission networks. A key innovation lies in the integration of cyclic steady-state (CSS) constraints within the multistage MPC formulation, enabling the controller to manage periodic operating conditions commonly observed in energy systems. A Lyapunov-based descent condition is enforced to ensure robust stability of the controller. The multistage economic MPC framework is validated on two gas pipeline case studies, where it successfully minimizes net energy consumption, respects operational constraints under uncertain demand profiles, and guides the network to optimal cyclic operation. The Lyapunov function remains bounded in both case studies, validating the robust stability of multistage E-NMPC.

03 NATURAL GAS↗

Tau Positron Emission Tomography for Predicting Dementia in Individuals With Mild Cognitive Impairment

An accurate prognosis is especially pertinent in mild cognitive impairment (MCI), when individuals experience considerable uncertainty about future progression. To evaluate the prognostic value of tau positron emission tomography (PET) to predict clinical progression from MCI to dementia. This was a multicenter cohort study with external validation and a mean (SD) follow-up of 2.0 (1.1) years. Data were collected from centers in South Korea, Sweden, the US, and Switzerland from June 2014 to January 2024. Participant data were retrospectively collected and inclusion criteria were a baseline clinical diagnosis of MCI; longitudinal clinical follow-up; a Mini-Mental State Examination (MMSE) score greater than 22; and available tau PET, amyloid-β (Aβ) PET, and magnetic resonance imaging (MRI) scan less than 1 year from diagnosis. A total of 448 eligible individuals with MCI were included (331 in the discovery cohort and 117 in the validation cohort). None of these participants were excluded over the course of the study. Exposures included Tau PET, Aβ PET, and MRI. Positive results on tau PET (temporal meta–region of interest), Aβ PET (global; expressed in the standardized metric Centiloids), and MRI (Alzheimer disease [AD] signature region) was assessed using quantitative thresholds and visual reads. Clinical progression from MCI to all-cause dementia (regardless of suspected etiology) or to AD dementia (AD as suspected etiology) served as the primary outcomes. The primary analyses were receiver operating characteristics. In the discovery cohort, the mean (SD) age was 70.9 (8.5) years, 191 (58%) were male, the mean (SD) MMSE score was 27.1 (1.9), and 110 individuals with MCI (33%) converted to dementia (71 to AD dementia). Only the model with tau PET predicted all-cause dementia (area under the receiver operating characteristic curve [AUC], 0.75; 95% CI, 0.70-0.80) better than a base model including age, sex, education, and MMSE score (AUC, 0.71; 95% CI, 0.65-0.77; P = .02), while the models assessing the other neuroimaging markers did not improve prediction. In the validation cohort, tau PET replicated in predicting all-cause dementia. Compared to the base model (AUC, 0.75; 95% CI, 0.69-0.82), prediction of AD dementia in the discovery cohort was significantly improved by including tau PET (AUC, 0.84; 95% CI, 0.79-0.89; P < .001), tau PET visual read (AUC, 0.83; 95% CI, 0.78-0.88; P = .001), and Aβ PET Centiloids (AUC, 0.83; 95% CI, 0.78-0.88; P = .03). In the validation cohort, only the tau PET and the tau PET visual reads replicated in predicting AD dementia. In this study, tau-PET showed the best performance as a stand-alone marker to predict progression to dementia among individuals with MCI. This suggests that, for prognostic purposes in MCI, a tau PET scan may be the best currently available neuroimaging marker.

59 BASIC BIOLOGICAL SCIENCES↗

Data for 3-Hydroxypropionic Acid Recovery from Fermentation Broth through Novel Downstream Processing: Technoeconomic Analysis

This study develops and validates a simplified, fully solvent-free downstream processing (DSP) strategy for high-purity recovery of 3-hydroxypropionic acid (3-HP) from real fermentation broth containing 62.3 g/L of 3-HP. Optimized activated carbon treatment achieved 98% color removal, while Amberlite IRA-67 was operated at pH 4.5 and 30 °C to minimize product loss. This is the first integrated demonstration of a fully solvent-free DSP enabling recovery of bio-based 3-HP as both a solid sodium salt and a concentrated aqueous solution, supported by techno-economic analysis. At lab scale, the process achieved 77.3% recovery of sodium 3-HP with 83.2% (w/w) purity and produced a 30% (w/v) aqueous solution. Techno-economic analysis yielded minimum selling prices of $0.551/kg for the solution and $0.892/kg for the salt, both below target thresholds for cost-competitive bio-acrylic acid production. Overall, these results demonstrate an efficient, scalable, and economically viable industrial pathway for 3-HP recovery.

Bioproducts↗

Development, validation, and verification of multi-pass thermo-mechanical welding simulations using the open-source MOOSE framework: NeT TG4 benchmark weldment

This study develops and validates a sequentially coupled thermo-mechanical welding simulation for the three-pass 316L stainless steel NeT TG4 benchmark weldment using the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) and the Nuclear Engineering Material model Library (NEML). A diffused ellipsoidal heat source was calibrated against thermocouple data and weld macrographs to accurately model the fusion zone geometry and transient thermal fields. Material hardening is represented using the Lemaitre-Chaboche mixed isotropic-kinematic hardening model, while four annealing models - no annealing, single-stage at 1050 °C and 1300 °C, and two-stage at 800 °C/1300 °C - were implemented to assess the impact of annealing models on the accuracy of the predicted welding-induced plasticity, distortions, and residual stresses. The predictions were validated against experimental measurements and benchmarked against results from commercial software, demonstrating that thermo-mechanical MOOSE welding simulations achieve comparable accuracy with enhanced computational efficiency. This work highlights the potential of using open-source finite element frameworks like MOOSE for advanced manufacturing simulations.

Ji, Wendy [Australian Nuclear Science and Technolo↗

High-Order Hybrid RANS-LES Study of NACA0012 Wing Sections

We develop hybrid RANS-LES strategies within Nek5000 for application to airfoil sections at small flight configurations. We present a validation and verification study of $k \space – \space \tau$ SST applied to a NACA 0012 wing section in a pure RANS and in a hybrid RANS-LES setup. The study shows good corroboration with existing experimental and numerical datasets. We also analyze some of the observed discrepancies with the experiments by evaluating the side wall “blocking” effect. We demonstrate that for the hybrid turbulence modeling approach a high-order spectral- element discretization converges faster (i.e., with less resolution) than a representative low-order finite-volume-based approach.

42 ENGINEERING↗

Part-scale microstructure prediction for laser powder bed fusion Ti-6Al-4V using a hybrid mechanistic and machine learning model

Laser powder bed fusion (LPBF) Ti-6Al-4V is widely studied for use in structural applications in aerospace and medical industries, but mechanical anisotropy and microstructural inhomogeneity prohibits its wider adoption. Although successful microstructure prediction models have been developed, a remaining challenge is their limited integration across length/time scales and validation by experimental studies. Here, this work proposes a physics-augmented machine learning surrogate model to unite predictions of LPBF temperature, β phase morphology and texture, and α/α’ formation into a single framework that is calibrated and validated with experiments. First, a phase field (PF) model of the martensitic β→α’ transformation is developed and calibrated using data from in-situ synchrotron cyclic heating/cooling studies quantifying the variation of α phase fraction with time. In parallel, an established finite difference-Monte Carlo (FDMC) model predicts the part-scale temperature profile and β grain formation during solidification. A dataset is developed using LPBF cyclic temperature descriptors from the FDMC model as inputs and corresponding α/α’ phase fraction and width from the PF model as outputs. Five machine learning (ML) regression models are tested and optimized, having mean absolute error in testing ≤ 4 %, and the k-nearest neighbors (KNN) model is selected as the best performing. The KNN model is called at the nodal level during post-processing of the FDMC model to replace and downscale the response of the PF model. The combined agility and accuracy of the hybrid FDMC-ML model enables part-scale microstructure predictions that can be further used for property predictions to accelerate AM process optimization.

36 MATERIALS SCIENCE↗

Availability of Critical Benchmark Experiments for the Pebble Tanker Transportation Model for Nuclear Criticality Safety Validation of TRISO Pebbles

This study addresses the need for comprehensive investigations into TRi-structural ISOtropic (TRISO) fuel pebble transportation validation. In this work, an exploratory model, the pebble tanker(PT), was developed with the aim of facilitating the validation of nuclear criticality safety calculations in the context of industrial-scale transportation of TRISO fuel. The PT model was designed to investigate the availability and applicability of critical benchmark experiments crucial for assessing the transportation of these pebbles. This work incorporated sensitivity/uncertainty (S/U) similarity studies to quantify the applicability of critical benchmark experiments and to address nuclear data uncertainties in the context of TRISO transportation. Two container models were investigated: one for the Hermes-type pebble and one for the Pebble Bed Modular Reactor (PBMR)–type pebble. The models were simplified, considering fuel, containment, and either water or air, to enable a focus on the underlying physics of applications involving TRISO fuel pebbles using the PT model. A crucial aspect under consideration was the capacity of the transport package to hold pebbles while ensuring subcriticality in the flooded state. An approach in the criticality validation process involves assessing the similarity between systems through an integral index parameter evaluation. This involves calculating a correlation coefficient (referred to as c k ) based on shared nuclear data–induced uncertainty between a benchmark experiment and the application of the PT model. To facilitate this analysis, the SCALE tools, particularly the CSAS6-Shift, TSUNAMI-3D-Shift, and TSUNAMI-IP sequences, were employed for comprehensive studies in neutronics and S/U analysis. Our findings showed that there are sufficient critical experimental benchmarks to perform this validation of the PT model in the most reactive state, i.e. when the tanker is flooded. This paper provides valuable insights into validating a transport package for Generation IV TRISO fuel pebbles.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

CHUWD-H v1.0: a comprehensive historical hourly weather database for U.S. urban energy system modeling

Reliable and continuous meteorological data are crucial for modeling the responses of energy systems and their components to weather and climate conditions, particularly in densely populated urban areas. However, existing long-term datasets often suffer from spatial and temporal gaps and inconsistencies, posing great challenges for detailed urban energy system modeling and cross-city comparison under realistic weather conditions. Here we introduce the Historical Comprehensive Hourly Urban Weather Database (CHUWD-H) v1.0, a 23-year (1998-2020) gap-free and quality-controlled hourly weather dataset covering 550 weather station locations across all urban areas in the contiguous United States. CHUWD-H v1.0 synthesizes hourly weather observations from stations with outputs from a physics-based solar radiation model and a reanalysis dataset through a multi-step gap filling approach. A 10-fold Monte Carlo cross-validation suggests that the accuracy of this gap filling approach surpasses that of conventional gap filling methods. Designed primarily for urban energy system modeling, CHUWD-H v1.0 should also support historical urban meteorological and climate studies, including the validation and evaluation of urban climate modeling.

54 ENVIRONMENTAL SCIENCES↗

CEBAF Injector for K Long Beam Conditions

The Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab concurrently operates four experimental Halls with distinct bunch charge specifications and repetition rates. Numerous critical beam parameters within CEBAF are configured in the injector, some remaining unchanged throughout the accelerator. Consequently, the injector plays a crucial role in determining final beam characteristics, including bunch structure, beam sizes, bunch lengths, energy spread, and beam transmission. The Jefferson Lab KL experiment is scheduled to take place at CEBAF in Hall D, featuring a much lower bunch repetition rate of 7.80 MHz or 15.59 MHz, below the nominal values of 249.5 MHz or 499 MHz. Although the proposed average current of 5 ?A or 10 ?A is low compared to the maximum CEBAF cur- rent of approximately 180 ?A, the corresponding bunch charge is unusually high for CEBAF injector operation. This study focuses on the behavior of low-repetition-rate, high-bunch- charge (0.32 to 0.64 pC) beams in the CEBAF injector. We investigated the evolution and transmission of low-charge beams to space-charge dominated high-charge beams in the front end of the CEBAF injector for two configurations: the pre-existing CEBAF Phase 1 injector upgrade, operated at 130 kV, and the existing CEBAF Phase 2 injector upgrade, operated at 140 kV, 180 kV, and to be operated at 200 kV. The electron beam through the CEBAF injector is characterized using beam dynamics simulations and comparisons with the available measurements performed at 130 kV. Multi-objective genetic optimizations of the CEBAF injector were performed to determine the operating magnetic elements and RF settings for the evolution and transmission of low, moderate, and high charge beams in the CEBAF injector at 180 kV and 200 kV DC gun voltages. Subsequently, simulations at the same voltages were conducted to obtain the beam characteristics at the front end of the CEBAF injector. The laser spot size and laser pulse length at the cathode were varied to observe their effects on beam transmission in the injector at different voltages (130 kV, 180 kV, and 200 kV). Experimental studies at 130 kV, 140 kV, and 180 kV validate the simulations. Beam study measurements are carried out using EPICS tools, while optimizations and simulations are facilitated by General Particle Tracer. Based on the findings, optimal parameters for the upcoming Jefferson Lab KL experiment are proposed, utilizing a lower repetition rate and higher bunch charge

Pokharel, Sunil↗