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DOE OSTI2025

Aerodynamic Sensitivities over Separable Shape Tensors

Here, we present a comprehensive aerodynamic sensitivity analysis of airfoil parameterization informed by separable shape tensors. This parameterization approach uniquely benefits the design process by isolating various well-studied shape characteristics, such as airfoil thickness, and providing a well-regulated low-dimensional parameter domain for aerodynamic designs. Exploring the aerodynamic sensitivities of this novel parameterization can provide valuable insights for more robust designs and future manufacturing efforts. We construct a data-driven parameter space of airfoils using principal geodesic analysis of separable shape tensors informed by a curated database containing almost 20,000 suitable engineering airfoils. Analyzing the shape reconstruction error and the maximum mean discrepancy between joint distributions of aerodynamic quantities, we study the dimensionality of the learned parameter space. This simple numerical experiment demonstrates a dramatic dimension reduction that retains design effectiveness and promotes regularity of the shape representations. Finally, we generate new airfoils and use the HAM2D Reynolds-averaged Navier–Stokes solver to predict lift, drag, and moment coefficients. We compute multiple sensitivity metrics to quantify and assert the consistency of parameter influence on the aerodynamic quantities. We also explore low-dimensional polynomial ridge approximations to motivate physical intuitions and offer explanations of the approximated sensitivities.

17 WIND ENERGY↗

DOE OSTI2025

Block-Structured Operator Inference for Coupled Multiphysics Model Reduction

This work presents a block-structured formulation of Operator Inference as a way to learn structured reduced-order models for multiphysics systems. The approach specifies the governing equation structure for each physics component and the structure of the coupling terms. Once the multiphysics structure is specified, the reduced-order model is learned from snapshot data following the nonintrusive Operator Inference methodology. In addition to preserving physical system structure, which in turn permits preservation of system properties such as stability and second-order structure, the block-structured approach has the advantages of reducing the overall dimensionality of the learning problem and admitting tailored regularization for each physics component. The numerical advantages of the block-structured formulation over a monolithic Operator Inference formulation are demonstrated for aeroelastic analysis, which couples aerodynamic and structural models. For the benchmark test case of the AGARD 445.6 wing, block-structured Operator Inference provides an average 20% online prediction speedup over monolithic Operator Inference across subsonic and supersonic flow conditions in both the stable and fluttering parameter regimes while preserving the accuracy achieved with monolithic Operator Inference.

42 ENGINEERING↗

DOE OSTI2025

Physics-Informed Machine Learning Model for Ceramic Matrix Composite Creep

A physics-informed recurrent neural network (RNN) based surrogate model is developed to emulate the nonlinear, time-dependent constitutive behavior of ceramic matrix composites (CMCs) driven by matrix damage and constituent creep at the microscale. Physics-informed constraints are introduced into the surrogate model through regularization to ground the prediction in physics and improve its predictive capabilities. Training data is generated using the high-fidelity generalized method of cells (HFGMC) approach which calls appropriate creep and damage models for each of the constituents. This coupling permits simulating the nonlinear behavior of CMCs based on constituent response at the microscale along with microstructural features such as fiber and porosity volume fraction and fiber radius. The microscale repeating unit cell is loaded under creep fatigue conditions to replicate the material loading experienced in a turbine engine. Therefore, the RNN-based surrogate model is tasked with predicting, as a function of variable input stress sequence, temperature, and microstructural features, the resulting strain history response while satisfying physical constraints related to creep rate, isochoric inelastic deformation, and strain energy density. The trained surrogate model is shown to effectively match the strain history over quantified distributions of microstructural features and relevant loading regimes and temperatures. Neural network based surrogate models can offer efficient alternatives to running computationally intensive multiscale material models to simulate the nonlinear response of large structural models. Therefore, the presented work provides evidence towards the feasibility of developing, training, and running such models for CMCs with complex microstructures, nonlinear time-dependent material response, and under non-monotonic loading conditions.

ceramic matrix composites↗

DOE OSTI2025

ILAMBv2.7 benchmarking results comparing E3SMv2.1 land-atmosphere coupled (BGCv2LNDATM) and stand alone land (ELM) simulations with CMIP6 emission driven historical simulations

This dataset contains land model benchmarking results for the Energy Exascale Earth System Model version 2.1 (E3SMv2.1), including outputs from both coupled biogeochemistry simulations and stand-alone land model simulations. These results are compared against several emission-driven historical simulations from the Coupled Model Intercomparison Project Phase 6 (CMIP6). Benchmarking was conducted using the International Land Model Benchmarking (ILAMB) package, version 2.7 (ILAMBv2.7). CMIP6 model outputs were sourced from the Earth System Grid Federation (ESGF), while the E3SMv2.1 results were derived from raw model outputs. These outputs underwent processing steps such as time serialization, conservative regridding, and data standardization to ensure comparability. For spatial interpolation, the Earth System Modeling Framework (ESMF) tool, ESMF_RegridWeightGen, was employed to generate regridding weights, enabling the transformation of E3SM’s native cubed-sphere grid to a regular latitude-longitude grid.

Feng, Sha [PNNL]↗

DOE OSTI2025

Multiscale ACI Satellite Database

The SATELLITE_EAGLES_PNNL NetCDF dataset contains a suite of satellite- and reanalysis-derived atmospheric and surface parameters on a regular latitude–longitude grid. The dataset includes core geophysical fields such as land fraction, aerosol optical depth at multiple wavelengths (465, 550, 667, and 865 nm), sea surface temperature, estimated inversion strength, and various thermodynamic and dynamic quantities (e.g., relative humidity, vertical velocity, boundary-layer height, and surface fluxes) from both MERRA and ERA reanalysis products, provided as daily-mean and instantaneous values. A major component of the dataset consists of MODIS-retrieved cloud microphysical properties, including cloud droplet number concentration, cloud effective radius, optical thickness, and liquid water path, provided for three compositing regimes (“All,” “Q06,” and “G18”). Corresponding cloud-top parameters—temperature, height, and pressure—along with total and domain-mean cloud fraction fields are also included. The file further integrates additional satellite data from AMSR-E (for cloud water, rain water, and surface precipitation retrievals) and CERES (for top-of-atmosphere radiative fluxes, cloud fractions, and albedo). This dataset is designed to evaluate aerosol–cloud interactions in warm clouds, emphasizing the use of MODIS for deriving cloud droplet number concentration and liquid water path statistics. The complementary satellite and reanalysis fields are co-located and time-matched to the same instantaneous MODIS observations, enabling consistent comparisons between cloud properties, aerosol loading, and large-scale meteorological conditions. The dataset is recently featured in Christensen et al. (2025), Machine Learning Reveals Strong Grid-Scale Dependence in the Satellite Nd–LWP Relationship, EGUsphere [preprint], https://doi.org/10.5194/egusphere-2025-3850, 2025.

Christensen, Matthew [Pacific Northwest National L↗

DOE OSTI2025

Multiscale ACI Satellite Database

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

G2Aero Database of Airfoils - Curated Airfoils

This dataset contains a curated set of 19,164 airfoil shapes from various applications and the data-driven design space of separable shape tensors (PGA space), which can be used as a parameter space for machine-learning applications focused on airfoil shapes. We constructed the airfoil dataset in two main stages. First, we identified 13 baseline airfoils from the NREL 5MW and IEA 15MW reference wind turbines. We reparameterized these shapes using least-squares fits of 8-order CST parametrizations, which involve 18 coefficients. By uniformly perturbing all 18 CST coefficients by +/-20% around each baseline airfoil, we generated 1,000 unique airfoils. Each airfoil was sampled with 1,001 shape landmarks whose x-coordinates followed a cosine distribution along the chord. This process resulted in a total of 13,000 airfoil shapes, each with 1,001 landmarks. In the second phase, we gathered additional airfoils from the extensive BigFoil database, which consolidates data from sources such as the University of Illinois Urbana-Champaign (UIUC) airfoil database, the JavaFoil database, the NACA-TR-824 database, and others. We undertook a thorough pre-processing step to filter out shapes with sparse, noisy, or incomplete data. We also removed airfoils with sharp leading edge and those exceeding our threshold for trailing edge thickness. Additionally, we thinned out the collection of NACA airfoils-- parametric sweeps of NACA airfoils with increasing thickness and camber present in BigFoil database-- by selecting every fourth step in the parameter sweeps. Finally, we regularized the airfoils by reparametrizing them with an 8-order CST parametrization (with 1,001 shape landmarks with x coordinated following cosine distribution along the chord) and removing airfoils with high reconstruction errors. This data pre-processing resulted in a set of 6,164 airfoils. In total, our curated airfoil dataset comprises 19,164 airfoils, each with 1,001 landmarks, and is stored in the curated_airfoils.npz file. Using this curated airfoil dataset, we utilized the separable shape tensors framework to develop a data-driven parameterization of airfoils based on principal geodesic analysis (PGA) of separable shape tensors. This PGA space is provided in PGAspace.npz file.

airfoils↗

DOE OSTI2024

Bias Corrected NOAA HRRR Wind Resource Data for Grid Integration Applications

To address the need for regularly updated wind resource data, NREL has processed the High-Resolution Rapid Refresh (HRRR) outputs for use in grid integration modeling. The HRRR is an hourly-updated operational forecast product produced by the National Oceanic and Atmospheric Administration (NOAA) (Dowell et al., 2022). Several barriers have prevented the HRRR's widespread proliferation in the wind energy industry: missing timesteps (prior to 2019), challenging file format for wind energy analysis, limited vertical height resolution, and negative bias versus legacy WIND Toolkit data (2007-2013). NREL has applied re-gridding, interpolation, and bias-correction to the native HRRR data to overcome these limitations. This results in the now-publicly-available bias corrected and interpolated HRRR (BC-HRRR) dataset for weather years 2015 to 2023. Bias correction is necessary for wind resource consistency across weather years to be used simultaneously in planning-focused grid integration studies alongside the original WIND Toolkit data. We show that quantile mapping with the WIND Toolkit as a historical baseline is an effective method for bias correcting the interpolated HRRR data: the BC-HRRR has reduced mean bias versus comparable gridded wind resource datasets (+0.12 m/s versus Vortex) and has very low mean bias versus ground measurement stations (+0.01 m/s) (Buster et al., 2024). BC-HRRR's consistency with the legacy WIND Toolkit allows NREL to extend grid integration analysis to 15+ weather years of wind data with low-overhead extensibility to future years as they are made available by NOAA. As with historical datasets like the WIND Toolkit, BC-HRRR is intended for use in grid integration modeling (e.g., capacity expansion, production cost, and resource adequacy modeling) both independently and alongside the legacy WIND Toolkit.

Array↗

DOE OSTI2024

Performance of synthetic DAS as a function of array geometry

Distributed Acoustic Sensing (DAS) can record acoustic wavefields at high sampling rates and with dense spatial resolution difficult to achieve with seismometers. Using optical scattering induced by cable deformation, DAS can record strain fields with spatial resolution of a few meters. However, many experiments utilizing DAS have relied on unused, dark telecommunication fibers. As a result, the geophysical community has not fully explored DAS survey parameters to characterize the ideal array design. This limits our understanding of guiding principles in array design to deploy DAS effectively and efficiently in the field. A better quantitative understanding of DAS array behavior can improve the quality of the data recorded by guiding the DAS array design. Here we use steered response functions, which account for DAS fiber’s directional sensitivity, as well as beamforming and back-projection results from forward modelling calculations to assess the performance of varying DAS array geometries to record regional and local sources. A regular heptagon DAS array demonstrated improved capabilities for recording regional sources over other polygonal arrays, with potential improvements in recording and locating local sources. These results help reveal DAS array performance as a function of geometry and can guide future DAS deployments.

58 GEOSCIENCES↗

DOE OSTI2023

Machine-learning-based, online estimation of ceramic’s microstructure upon the laser spot brightness during laser sintering

The ceramic microstructure strongly influences its properties. During manufacturing, the online monitoring of microstructure is critical to ensure the desired material properties. So far, the microstructure on the relevant scale is usually characterized offline using scanning electron microscopy (SEM), which is time and cost-consuming. In this work, we demonstrate a cost-effective, machine learning (ML)-based approach to simulate the SEM micrographs in real-time from the laser spot brightness. We experimentally observed a strong correlation between the laser spot brightness and the corresponding microstructure at the exact locations. The brightness values obtained from thermal emission images and the corresponding SEM micrographs were used in the training datasets. The ML algorithm was a style-based conditional generative adversarial network (CGAN). After training, the ML model could generate high-fidelity microstructure images within 0.1 seconds based on in-situ captured brightness at the laser sintering spot. We used the average grain sizes as the metric to evaluate the accuracy of the ML-predicted micrographs. Here, the ML-predicted microstructures were in good agreement, with less than 5% in difference from the real SEM images. In conclusion, we demonstrate the cost-effective, online microstructure estimation during laser sintering with a simple setup (a camera, a regular computer, and the ML model).

08 HYDROGEN↗

DOE OSTI2024

Strongly hyperbolic quasilinear systems revisited, with applications to relativistic fluid dynamics

We revisit the theory of first-order quasilinear systems with diagonalizable principal part and only real eigenvalues, what is commonly referred to as strongly hyperbolic systems. We provide a self-contained and simple proof of local well-posedness, in the Hadamard sense, of the Cauchy problem. Our regularity assumptions are very minimal. As an application, we apply our results to systems of ideal and viscous relativistic fluids, where the theory of strongly hyperbolic equations has been systematically used to study several systems of physical interest.

Mathematics↗

DOE OSTI2021

Integrating Electromagnetic Acoustic Transducers in a Modular Robotic Gripper for Inspecting Tubular Components

Tubular structures are critical components in infrastructure such as power plants. Throughout their life, they are subjected to extreme conditions or suffer from defects such as corrosion and cracks. Although regular inspection of these components is necessary, such inspection is limited by safety-related risks and limited access for human inspection. Robots can provide a solution for automatic inspection. The main challenge, however, lies in integrating sensors for nondestructive evaluation with robotic platforms. As part of developing a versatile lizard-inspired tube inspector robot, in this study the authors propose to integrate electromagnetic acoustic transducers into a modular robotic gripper for use in automated ultrasonic inspection. In particular, spiral coils with cylindrical magnets are integrated into a novel friction-based gripper to excite Lamb waves in thin cylindrical structures. To evaluate the performance of the integrated sensors, the gripper was attached to a robotic arm manipulator and tested on pipes of different outer diameters. Two sets of tests were carried out on both defect-free pipes and pipes with simulated defects, including surface partial cracking and corrosion. The inspection results indicated that transmitted and received signals could be acquired with an acceptable signal-to-noise ratio in the time domain. Moreover, the simulated defects could be successfully detected using the integrated robotic sensing system.

Materials Science↗

DOE OSTI2021

Protective coatings with nanoscale multilayer architecture: current state and main trends

Binary systems (layers) and multicomponent layers with bilayer thicknesses varying from microns to a few nanometers are considered. A strong dependence of the microstructure formation on the deposition conditions (the magnitude of the bias potential, the flow of inert and reactive gases, the ion beam power (current density) supplied to the target) is found. General regularities in the change in the functional properties and structural state of the coatings are formulated. The conditions for the formation of a columnar structure and growth texture are noted; various mechanisms and their interpretation are proposed. Finally, the relationship among the size of nanograins, diffusion at the interphase boundary, and effects determining the physico-mechanical, tribological characteristics, as well as resistance to corrosion and oxidation, is shown.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Solving Coupled Cluster Equations by the Newton Krylov Method

We describe using the Newton Krylov method to solve the coupled cluster equation. The method uses a Krylov iterative method to compute the Newton correction to the approximate coupled cluster amplitude. The multiplication of the Jacobian with a vector, which is required in each step of a Krylov iterative method such as the Generalized Minimum Residual (GMRES) method, is carried out through a finite difference approximation, and requires an additional residual evaluation. The overall cost of the method is determined by the sum of the inner Krylov and outer Newton iterations. We discuss the termination criterion used for the inner iteration and show how to apply pre-conditioners to accelerate convergence. We will also examine the use of regularization technique to improve the stability of convergence and compare the method with the widely used direct inversion of iterative subspace (DIIS) methods through numerical examples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Using radiochemistry to diagnose fuel-ablator mix in inertial confinement fusion studies at the National Ignition Facility: measurement of Tc/Mo isotopic ratios for the Pushered Single Shell campaign

The development of radiochemical measurement techniques as a diagnostic for fusion experiments at the National Ignition Facility enables a new method for assessing fuel-ablator mix and the impact of this mix on capsule performance. Diagnosing capsule mix in internal confinement fusion studies is difficult due to the small spatial scales (10s of µm) and short-time frames (100s of ps) over which the mix typically evolves in these experiments. For the Pushered Single Shell campaign, radiochemical measurements on debris collected from fusion experiments can be used to determine isotopic ratios of activation products, particularly 96g Tc/ 99 Mo and 95g Tc/ 99 Mo, to provide vital information on nuclear reactions in the burning plasma that can inform simulations that seek to understand the degree of capsule-fuel mix and the impact on the capsule performance. These radiochemical measurements have been conducted regularly since November 2023 providing data on a range of capsule designs and neutron yields. Data from eight NIF experiments is presented, the measured 96g Tc/ 99 Mo and 95g Tc/ 99 Mo range from (0.5–5) × 10 –4 to (0.3–3) × 10 –4 , respectively. The development of radiochemical diagnostics aids in understanding and optimizing the design of fusion experiments, providing unique and valuable insights into capsule behavior and directly measuring fuel-ablator mix.

and nuclear chemistry↗

DOE OSTI2021

Information Entropy as Quantifier of Potential Predictability in the Tropical Indo-Pacific Basin

Global warming is posed to modify the modes of variability that control much of the climate predictability at seasonal to interannual scales. The quantification of changes in climate predictability over any given amount of time, however, remains challenging. Here we build upon recent advances in non-linear dynamical systems theory and introduce the climate community to an information entropy quantifier based on recurrence. The entropy, or complexity of a system is associated with microstates that recur over time in the time-series that define the system, and therefore to its predictability potential. A computationally fast method to evaluate the entropy is applied to the investigation of the information entropy of sea surface temperature in the tropical Pacific and Indian Oceans, focusing on boreal fall. In this season the predictability of the basins is controlled by two regularly varying non-linear oscillations, the El Niño-Southern Oscillation and the Indian Ocean Dipole. We compute and compare the entropy in simulations from the CMIP5 catalog from the historical period and RCP8.5 scenario, and in reanalysis datasets. Discrepancies are found between the models and the reanalysis, and no robust changes in predictability can be identified in future projections. The Indian Ocean and the equatorial Pacific emerge as troublesome areas where the modeled entropy differs the most from that of the reanalysis in many models. A brief investigation of the source of the bias points to a poor representation of the ocean mean state and basins' connectivity at the Indonesian Throughflow.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Early Warning Signs of a Mental Health Tsunami: A Coordinated Response to Gather Initial Data Insights From Multiple Digital Services Providers

The immediate impact of coronavirus 2019 (COVID-19) on morbidity and mortality has raised the need for accurate and real-time data monitoring and communication. The aim of this study is to document the initial observations from multiple digital services providers during the COVID-19 crisis, especially those related to mental health and well-being. We used email and social media to announce an urgent call for support. Digital mental health services providers (N = 46), financial services providers (N = 4), and other relevant digital data source providers (N = 3) responded with quantitative and/or qualitative data insights. People with lived experience of distress, as service users/consumers, and carers are included as co-authors. This study provides proof-of-concept of the viability for researchers and private companies to work collaboratively toward a common good. Digital services providers reported a diverse range of mental health concerns. A recurring observation is that demand for digital mental health support has risen, and that the nature of this demand has also changed since COVID-19, with an apparent increased presentation of anxiety and loneliness. Following this study, we will continue to work with providers in more in-depth ways to capture follow-up insights at regular time points. We will also onboard new providers to address data representativeness. Looking ahead, we anticipate the need for a rigorous process to interpret insights from an even wider variety of sources in order to monitor and respond to mental health needs.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Diagenesis is key to unlocking outcrop fracture data suitable for quantitative extrapolation to geothermal targets

Exceptionally large, well-exposed sandstone outcrops in New York provide insights into folds, deformation bands, and fractures that could influence permeability, heat exchange, and stimulation outcomes of geothermal reservoir targets. Cambrian Potsdam Sandstone with <5% porosity contains decimeter-scale open, angular-limbed monoclines <0.5 km apart with associated low-porosity mm-wide cataclastic deformation bands. Crossing and abutting relationships among sub-vertical opening-mode fractures show four chronological Sets A–D, striking NNW, NE, NW, and ENE, respectively. Fracture lengths and heights range from millimeters to tens of meters. Sets A and C macro-fractures, and possibly B and D, contain quartz deposits. All sets have abundant associated quartz cemented microfractures that also record set orientations and crosscutting relations. Quartz cement deposits—evidence of diagenesis—are the key to identifying attributes of outcrop fractures suitable for extrapolation to geothermal targets in sandstones because they show which fractures formed in the subsurface. Set A fluid inclusion homogenization temperatures (120°C–129°C) are compatible with fracture at >3 km depth. Fractures are stiff and those ≥0.05 mm (Set C) and ≥0.1 mm (Set A) are open and potentially conducive to flow. Sets A and D are abundant in outcrops with close fracture spacing—0.18 m and 0.68 m, respectively—and define a rectangular connectivity network dominated by crossing and abutting X and Y nodes. Set A aperture distributions follow a power law with slope –0.8 up to 0.15 mm; other sets have lognormal distributions. Set A and D microfractures are weakly clustered, while macro-fractures commonly have 1D anticlustered (regular or periodic) arrangements at shorter length scales (<0.2 m). Sub-horizontal fractures are barren and may have formed near the surface. Fracture heights, lengths, and spatial arrangements show good trace connectivity but low open connectivity. For geothermal applications, outcrop results predict low initial well-test permeabilities owing to quartz disconnecting open fractures, but stimulation of closely spaced microfractures and partly open macro-fractures could yield high surface area for heat exchange. Quantitative extrapolation of key fracture attributes like abundance, orientation, spatial arrangement, length, and open fracture connectivity is possible from outcrops to fractured reservoirs if differing thermal histories and diagenesis are accounted for.

02 PETROLEUM↗