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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Reconsidering tympanal-acoustic interactions leads to an improved model of auditory acuity in a parasitoid fly

Although most binaural organisms locate sound sources using neurological structures to amplify the sounds they hear, some animals use mechanically coupled hearing organs instead. One of these animals, the parasitoid fly Ormia ochracea (O. ochracea), has astoundingly accurate sound localization abilities. It can locate objects in the azimuthal plane with a precision of 2°, equal to that of humans, despite an intertympanal distance of only 0.5 mm, which is less than 1/100th of the wavelength of the sound emitted by the crickets that it parasitizes. O. ochracea accomplishes this feat via mechanically coupled tympana that interact with incoming acoustic pressure waves to amplify differences in the signals received at the two ears. In 1995, Miles et al developed a model of hearing mechanics in O. ochracea that represents the tympana as flat, front-facing prosternal membranes, though they lie on a convex surface at an angle from the flies' frontal and transverse planes. The model works well for incoming sound angles less than ±30° but suffers from reduced accuracy (up to 60% error) at higher angles compared to response data acquired from O. ochracea specimens. Despite this limitation, it has been the basis for bio-inspired microphone designs for decades. Here, we present critical improvements to this classic hearing model based on information from three-dimensional reconstructions of O. ochracea's tympanal organ. We identified the orientation of the tympana with respect to a frontal plane and the azimuthal angle segment between the tympana as morphological features essential to the flies' auditory acuity, and hypothesized a differentiated mechanical response to incoming sound on the ipsi- and contralateral sides that depend on these features. We incorporated spatially-varying model coefficients representing this asymmetric response, making a new quasi-two-dimensional (q2D) model. The q2D model has high accuracy (average errors of under 10%) for all incoming sound angles. This improved biomechanical model may inform the design of new microscale directional microphones and other small-scale acoustic sensor systems.

36 MATERIALS SCIENCE↗

DOE OSTI2020

High-Frequency, Multiclass Nonintrusive Load Monitoring for Grid-Interactive Residential Buildings

Smart buildings with net-load metering and control capabilities can provide valuable flexibility to grid operators. This article develops a novel approach for high-frequency, multiclass nonintrusive load monitoring (NILM) that enables effective net-load monitoring capabilities with minimal additional equipment and cost. Relative to existing NILM work, the proposed solution operates at a faster timescale, providing accurate multiclass state predictions for each 60-Hz ac cycle without relying on event-detection techniques. The approach is validated using a test bed with residential appliances and shown to have high accuracy, good generalization properties, and sufficient response time to support building grid-interactive control at fast timescales relevant to the provision of grid frequency support services.

27 ARPA - Advanced Research Projects Agency-Energy↗

DOE OSTI2026

Iterative ML and Experiments for Emerging VOCs

SAND2026-17074O Iterative ML and Experiments for Emerging VOCs is a tool that analyzes and predicts the behaviors of SARS-CoV-2 variants. It processes experimental data on ACE2 (the receptor for the SARS-CoV-2 virus that allows it to infect the cell) and antibody binding using machine learning models, including neural networks, to forecast ACE2 interactions and variant expression. The tool employs transfer learning and global epistasis modeling, integrating public datasets with proprietary data to enhance prediction accuracy. Additionally, it fits concentration-response curves to determine dissociation constants and generates visualizations to support research findings, thereby aiding in the identification of new antibodies for emerging variants of concern. 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.

Sheffield, Thomas [Sandia National Lab. (SNL-NM), ↗

DOE OSTI2020

Non-Invasive Functional-Brain-Imaging with an OPM-based Magnetoencephalography System

A non-invasive functional-brain-imaging system based on optically-pumped-magnetometers (OPM) is presented. The OPM-based magnetoencephalography (MEG) system features 20 OPM channels conforming to the subject’s scalp. We have conducted two MEG experiments on three subjects: assessment of somatosensory evoked magnetic field (SEF) and auditory evoked magnetic field (AEF) using our OPM-based MEG system and a commercial MEG system based on superconducting quantum interference devices (SQUIDs). We cross validated the robustness of our system by calculating the distance between the location of the equivalent current dipole (ECD) yielded by our OPM-based MEG system and the ECD location calculated by the commercial SQUID-based MEG system. We achieved sub-centimeter accuracy for both SEF and AEF responses in all three subjects. Due to the proximity (12 mm) of the OPM channels to the scalp, it is anticipated that future OPM-based MEG systems will offer enhanced spatial resolution as they will capture finer spatial features compared to traditional MEG systems employing SQUIDs.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Function and Operational Requirements for High-Temperature Irradiation-Resistant Thermocouples

The function and operation requirements for the high-temperature irradiation-resistant thermocouple (HTIR-TC) are set forth. A mission and product are proposed. The function and operational requirements involve temperature range, accuracy, drift, life, mechanical ruggedness, and response time. Each have a criterion set to establish a thermocouple that can withstand a typical 18-month nuclear power plant refueling cycle.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Distributed Energy Management for Networked Microgrids with Hardware-in-the-Loop Validation

For the cooperative operation of networked microgrids, a distributed energy management considering network operational objectives and constraints is proposed in this work. Considering various ownership and privacy requirements of microgrids, utility directly interfaced distributed energy resources (DERs) and demand response, a distributed optimization is proposed for obtaining optimal network operational objectives with constraints satisfied through iteratively updated price signals. The alternating direction method of multipliers (ADMM) algorithm is utilized to solve the formulated distributed optimization. The proposed distributed energy management provides microgrids, utility-directly interfaced DERs and responsive demands the opportunity of contributing to better network operational objectives while preserving their privacy and autonomy. Results of numerical simulation using a networked microgrids system consisting of several microgrids, utility directly interfaced DERs and responsive demands validate the soundness and accuracy of the proposed distributed energy management. The proposed method is further tested on a practical two-microgrid system located in Adjuntas, Puerto Rico, and the applicability of the proposed strategy is validated through hardware-in-the-loop (HIL) testing.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

High-Frequency, Multiclass Nonintrusive Load Monitoring for Grid-Interactive Residential Buildings

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Web-based Preprocessing and Visualization of 3D FIB Tomography Data for Nuclear Fuel Characterization

Three-dimensional (3D) focused ion beam (FIB) tomography enables reconstruction of internal nuclear fuel features that can't be fully evaluated through surface imaging alone. This capability supports characterization of fuel constituents and defects under thermal and irradiation conditions relevant to microreactor development. However, large tomography datasets can create data-handling, loading, and visualization challenges, especially when image-stack preparation and file conversion must be completed with separate tools. The Computational Ultraspatial Tomography Toolkit for High-Resolution Object Analysis Tools (CUTTRHOAT) is an open-source web application being developed to display FIB tomography datasets available through the Nuclear Research Data System (NRDS). The current alpha version requires prepared HDF5 datasets and has limited integrated data-preparation capabilities. This project improves CUTTHROAT by adding dataset-folder selection, automatic input detection, dataset scanning, missing-slice identification, blank-slice insertion, and image-stack-to-HDF5 conversion. Two applications will be compared: the baseline CUTTHROAT alpha workflow and the updated application containing the integrated data-handling and preprocessing functions. Evaluation will consider dataset detection accuracy, conversion success, loading time, rendering responsiveness, application stability, and user interaction. Preliminary results demonstrate successful loading of existing HDF5 files and converted image stacks, while testing also identified performance reductions caused by excessive blank-slice generation. The updated workflow reduces reliance on external preparation tools and supports more direct movement from image stacks to color-code 3D visualization. Future work includes refining missing-slice handling, integrating additional preprocessing functions, like a denoising feature, parsing TIFF metadata for automatic voxel scaling, and adding manual X, Y, and Z voxel-spacing inputs for PNG and JPEG.

36 - MATERIALS SCIENCE↗

DOE OSTI2025

Thermo-hydraulic steam pipe models for district heating simulations: Simplifications to balance accuracy and simulation speed

Steam piping networks are essential for optimizing performance in industrial processes and district heating systems. However, dynamic models that balance thermo-hydraulic accuracy with computational efficiency remain limited. In response, this paper presents a new discretized steam pipe model based on the plug flow approach, capturing key thermo-hydraulic behaviors while simplifying steam phase change processes. Implemented in Modelica, the model accurately calculates temperature and pressure distributions along steam pipelines. To improve computational efficiency for district-scale simulations, five model simplifications are introduced: lumped thermo-hydraulic functions, empirical correlations, fluid state approximations, steady-state dynamics and inclusion of flow derivatives. These simplified models achieve 85%-98% accuracy in predicting pressure drop and condensation losses, including dynamic condensate behavior during pipe warm-up—a factor often overlooked in existing models. The models support diverse network configurations, scaling effectively to systems with multiple distribution pipes and connected building loads. Discrete models provide detailed insights but exhibit a cubic increase in simulation time as the network scales by N connected building O(N 2.42 ). In contrast, lumped models simulate 10–28 times faster than discrete, offering quadratic scaling of simulation time O(N 1.73 ). However, they still require 6 times more computation time than a lossless network, highlighting the inherent computational challenges of modeling compressible fluid flow. In conclusion, the steady-state lumped variant, with its near-linear scalability in computational time O(N 1.01 ), emerges as an efficient solution for preliminary design evaluations and extensive parametric studies.

15 GEOTHERMAL ENERGY↗

DOE OSTI2020

Design and Analysis of the Staggered Double Grating Slow Wave Circuit for 263 GHz Sheet Beam TWT

The complete design process of a high-frequency circuit for a 263 GHz staggered double grating, sheet beam traveling wave tube is presented in this article. Here, this device, for use in a pulsed electron paramagnetic resonance spectrometer instrument, requires >30 dB gain and a 20 GHz bandwidth centered at 263 GHz. In addition to the standard Pierce gain analysis and point by point particle in cell (PIC) simulation, a novel fast pulse response analysis technique was utilized to determine the accurate synchronization voltage and test the ``hot” feature of the high-frequency circuit. Since this new method can evaluate the entire bandwidth in a single simulation, it can significantly reduce the computational resources normally required for the conventional PIC analysis while also illustrating the potential instabilities near the band edge. Good agreement between the fast pulse response and PIC simulation results validate the accuracy of this novel method. According to the analysis results and given the manufacturing limits of nano/micro-computer numerical control (CNC) machining, an appropriate SWS, coupler, and sever designs were chosen to complement the simulated design. Finally, a prototype circuit was manufactured and cold tested to verify the design and inspect the machining tolerances.

42 ENGINEERING↗

DOE OSTI2024

FEW questions, many answers: using machine learning to assess how students connect food–energy–water (FEW) concepts

There is growing support and interest in postsecondary interdisciplinary environmental education which integrate concepts and disciplines in addition to providing varied perspectives. There is a need to assess student learning in these programs as well as rigorous evaluation of educational practices, especially of complex synthesis concepts. This work tests a text classification machine learning model as a tool to assess student systems thinking capabilities using two questions anchored by the Food-Energy-Water (FEW) Nexus phenomena by answering two questions (1) Can machine learning models be used to identify instructor-determined important concepts in student responses? (2) What do college students know about the interconnections between food, energy and water, and how have students assimilated systems thinking into their constructed responses about FEW? Reported here are a broad range of model performances across 26 text classification models associated with two different assessment items, with model accuracy ranging from 0.755 to 0.992. Expert-like responses were infrequent in our dataset compared to responses providing simpler, incomplete explanations of the systems presented in the question. For those students moving from describing individual effects to multiple effects, their reasoning about the mechanism behind the system indicates advanced systems thinking ability. Specifically, students exhibit higher expertise for explaining changing water usage than discussing tradeoffs for such changing usage. This research represents one of the first attempts to assess the links between foundational, discipline-specific concepts and systems thinking ability. These text classification approaches to scoring student FEW Nexus Constructed Responses (CR) indicate how these approaches can be used, in addition to several future research priorities for interdisciplinary, practice-based education research. Development of further complex question items using machine learning would allow evaluation of the relationship between foundational concept understanding and integration of those concepts as well as more nuanced understanding of student comprehension of complex interdisciplinary concepts.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2026

Multiresolution Quantum Chemistry: Nonlinear Response Properties at the Basis Set Limit

We benchmark the accuracy of Dunning correlation-consistent Gaussian basis sets for computing frequencydependent second-order hyperpolarizabilities relevant to second-harmonic generation (SHG), using multiresolution analysis (MRA) as a reference. Basis set errors are analyzed using a unit-sphere representation of the effective hyperpolarizability vector, enabling direct assessment of directional error structure. We introduce a relative RMS total error metric that integrates directional deviations over the unit sphere and complement it with signed projection errors that distinguish over- and underestimation. Unsupervised clustering based on these signed directional metrics reveals four distinct convergence behaviors across a set of 68 molecules. Unitsphere visualizations of representative systems show that basis set errors are often highly anisotropic and localized along specific bond directions, even when global error measures appear small. Doubly augmented basis sets consistently outperform singly augmented ones, and core-polarization functions are required for uniform convergence in second-row systems. Overall, this work demonstrates that directional analysis combined with clustering provides a robust framework for understanding basis set convergence in nonlinear optical response properties.

Basis sets↗

DOE OSTI2020

Global System Reduction Order Modeling for Localized Feature Inclusion

The development of reduced-order models remains an active research area, despite advances in computational resources. Here we develop a novel order-reduction approach that is designed to incorporate isolated regions that contain, for example, nonlinearitites or accumulating damage. The approach is designed to use global modes of the overall system response, which are then naturally coupled to the response in the isolated region of interest. Two examples are provided to demonstrate both the accuracy and the computational efficiency of the proposed approach. The performance of this approach is compared to the exact response corresponding to a finite element simulation for the chosen problems. In addition, the accuracy and computational efficiency are shown relative to a standard Galerkin reduction based on the linear normal modes. It is found that the proposed reduction offer computational efficiency comparable to a Galerkin reduction, but more accurately represents the response of the system when both are compared to the finite element simulation.

42 ENGINEERING↗

DOE OSTI2024

Peridynamic neural operators: A data-driven nonlocal constitutive model for complex material responses

Neural operators, which can act as implicit solution operators of hidden governing equations, have recently become popular tools for learning the responses of complex real-world physical systems. Nevertheless, most neural operator applications have thus far been data-driven and neglect the intrinsic preservation of fundamental physical laws in data. Here, in this work, we introduce a novel integral neural operator architecture called the Peridynamic Neural Operator (PNO) that learns a nonlocal constitutive law from data. This neural operator provides a forward model in the form of state-based peridynamics, with objectivity and momentum balance laws automatically guaranteed. As applications, we demonstrate the expressivity and efficacy of our model in learning complex material behaviors from both synthetic and experimental data sets. We also compare the performances with baseline models that use predefined constitutive laws. We show that, owing to its ability to capture complex responses, our learned neural operator achieves improved accuracy and efficiency. Moreover, by preserving the essential physical laws within the neural network architecture, the PNO is robust in treating noisy data. The method shows generalizability to different domain configurations, external loadings, and discretizations.

42 ENGINEERING↗

DOE OSTI2025

Development of Predictive Model for Accurate Rupture Time from Multi-Axial Creep in Alloy 709 with Physics-Based Simulations

A physics-based model is developed to predict multiaxial creep behavior in Alloy 709 (A709), an advanced austenitic stainless steel intended for high-temperature applications such as Sodium Fast Reactors (SFRs). Compared to conventional stainless steels like 316H, A709 offers superior high-temperature performance; however, comprehensive data on its multiaxial creep response remain limited. To address this gap, a crystal plasticity finite element (CPFE) framework is used to simulate the deformation and failure mechanisms of A709 under multiaxial loading conditions. The model incorporates an extended Hu-Cocks dislocation creep formulation that accounts for precipitation effects, along with the Sham–Needleman model to capture grain boundary cavitation-driven failure. These advanced constitutive models enable a detailed understanding of the interplay between microstructural evolution and macroscopic creep response. Furthermore, the study evaluates the predictive accuracy of various effective stress measures in estimating creep rupture life, leveraging simulated multiaxial creep data. The findings provide critical insights into the applicability of different stress measures for engineering design and life prediction of A709 components operating under complex loading conditions. This work contributes to improving the reliability of high-temperature structural components by advancing predictive modeling capabilities for advanced austenitic steels.

Alloy 709↗

DOE OSTI2020

Multiscale formulation of frictional contact mechanics at the pore scale

Direct numerical simulation (DNS) yields the highest fidelity predictions of mechanical deformation at the pore scale, but is prohibitively expensive for analyzing large or many samples. Discrete element methods (DEM) are an efficient alternative, but are limited to granular media and incapable of estimating or controlling prediction errors. We present a pore-level multiscale method (PLMM) that approximates DNS efficiently and with controllable accuracy. We focus on the linear elastic response of a consolidated geologic porous medium with arbitrary microstructure, heterogeneous mineralogy, containing cracks or defects. PLMM decomposes the solid phase into non-overlapping subdomains, on which local basis functions are constructed. The bases are then coupled with a global interface problem that accounts for slip or stick contact conditions between the subdomains. PLMM produces an initial, but accurate, approximation to DNS that can be iteratively improved. It is amenable to parallelism and allows for different mesh, models, and physics in each subdomain. An algebraic interpretation of PLMM as a preconditioner is also presented to allow non-intrusive implementation into existing solvers. Lastly, this work extends previous developments of PLMM in fluid dynamics to solid mechanics and enables future extensions towards modeling coupled flow and mechanics problems.

42 ENGINEERING↗

DOE OSTI2021

Diffraction properties of cylindrically bent KAP crystals in energy range of 2.3–7.5 keV using synchrotron radiation

Verification of physics models and computer simulations are heavily reliant upon the accuracy of experimental measurements. Calibration of instrument responses becomes an important step to achieve this goal. This paper presents systematic studies of bent potassium acid phthalate (KAP) crystals using Lawrence Berkeley National Laboratories, Advanced Light Source, beamline 9.3.1 in the energy range of 2.3 to 7.5 keV. A set of KAP crystals, gradually bent from flat up to a 50.8 mm cylindrical curvature. The measured integrated reflectivity for this set of KAP crystals shows good agreement with the X-ray Oriented Program (XOP) calculations when adjusting the Debye–Waller temperature factor and using the multilamellar model in the calculations. Significant differences in rocking curve profiles were observed between experimental measurements and theory. A forward convolution model and software code were developed to include experimental parameters, allowing the investigation of the difference between measurements and calculations. After considering the experimental parameters, good agreements were obtained for the rocking curve profiles for all bending radii with a unique set of parameters. Our results show that XOP can be a useful and reliable tool to predict performance of cylindrically bent KAP crystals in this energy range.

Wu, Ming↗

DOE OSTI2026

Performance and Reliability Assessment of the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) Data Advisor (ADA)

The Atmospheric Radiation Measurement (ARM) User Facility provides one of the world's largest openly accessible repositories of atmospheric observations through the ARM Data Discovery platform. Although the repository contains more than three decades of measurements collected from permanent observatories, mobile facilities, aircraft campaigns, and field experiments, identifying appropriate datasets can be challenging, particularly for new users unfamiliar with ARM instrumentation and datastream organization. To improve data accessibility, the ARM Data Center developed the ARM Data Advisor (ADA), an artificial intelligence-powered assistant designed to facilitate scientific data discovery, dataset interpretation, and user guidance. This report evaluates ADA's performance as a domain-specific scientific assistant using realistic atmospheric science workflows. The evaluation examines five key capabilities: data retrieval and curation efficiency, hallucination resistance, scientific reasoning, response to ambiguous queries, and content retention and session continuity. Representative prompts were developed to simulate typical interactions between researchers and the ARM Data Discovery platform, and ADA's responses were assessed for retrieval completeness, scientific accuracy, consistency, and practical usefulness. In these representative tests, ADA reduced the complexity of discovering and accessing ARM datasets by recommending appropriate datastreams, explaining instrumentation, interpreting metadata, and assisting with data processing workflows. ADA also exhibits strong domain knowledge of atmospheric science terminology and generally resists hallucination by acknowledging unavailable datasets and requesting clarification when appropriate. Overall, the results indicate that ADA represents a promising advancement in scientific data discovery within the ARM User Facility and has considerable potential to improve researcher productivity, particularly for new users and interdisciplinary scientists seeking efficient access to ARM observations.

Salvador, Christian [ORNL] (ORCID:0000000283287777↗