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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

FOCAL Campaign I: Advanced Wind Turbine Control Strategies

Campaign I of the Floating Offshore-wind Controls Advanced Laboratory Experimental Program (FOCAL) aims to generate a dataset enabling the validation of aerodynamic performance of a scaled turbine mounted on a rigid tower in a fixed condition. The turbine considered in the FOCAL testing campaigns is the IEA-Wind 15MW Reference Wind Turbine. This scaled model is capable of simulating advanced blade-pitch control strategies in a high-quality wind field. The turbine is fully instrumented to record a variety of parameters in real time such as structural loads and dynamics. The test data considered was generated at the University of Maine's Harold Alfond Wind and Wave (W2) testing facility. The Load Cases (LC) considered in this testing campaign are as follows: LC 1.X - Constant wind and blade-pitch with varying rotor speeds LC 2.X - Constant wind and rotor speed with varying blade-pitch LC 3.X - Varying wind with active closed-loop control Detailed properties on the modeled system are found in the following reference: Lenfest E., Floating Offshore-wind Controls Advanced Laboratory (FOCAL) Experimental Program - Campaign I: 1:70 Model-scale Testing of the IEA-Wind 15MW Reference Turbine. UMaine ASCC Report Number 23-40-1183. Details on the results of the verification and validation are found in the following reference: Mendoza, Nicole et al., "Verification and Validation of Model-Scale Turbine Performance and Control for the IEA Wind 15 MW Reference Wind Turbine," Energies, vol. 15, no. 20, 2022, https://doi.org/10.3390/en15207649.

17 WIND ENERGY↗
DOE OSTI2026

FOCAL Campaign II/III: Applying Active Hull Controls Using Tuned-mass Dampers/Hull Flexibility and Internal Loads

Campaign II and III of the Floating Offshore-wind Controls Advanced Laboratory Experimental Program (FOCAL) aimed to generate a dataset enabling the validation of the performance and loads of a scaled hull, with and without structural hull control. The floating platform was subjected to a variety of wave environments and controlled using tuned-mass dampers (TMDs) tuned to two of the systems natural frequencies (Platform Pitch and Tower-bending). The floating platform is fully instrumented to record a variety of parameters in real time such as platform dynamics, accelerations, and loads at different points in the structure. The test data considered was generated at the University of Maine's Harold Alfond Wind and Wave (W2) testing facility. This testing was focused only on validation of wave loading, and wind conditions were not considered. As such the platform does not support a working turbine, and instead supports a structure designed to have the same mass properties as the 1:70 IEA 15MW Reference turbine. The Load Cases (LC) considered in this testing campaign are as follows: LC 1.X - Platform Static Offset (TMD off); LC 2.X - Platform Free-decays (TMD off); LC 3.X - Wave Cases (Regular Wave, Irregular Wave, Pink Noise Wave) with and without TMDs active. Detailed properties on the model system are found in the following reference: Lenfest E., Floating Offshore-wind Controls Advanced Laboratory (FOCAL) Experimental Program - Campaigns 2 and 3: 1:70 Model-scale Testing of the IEA-Wind 15MW Reference Turbine and the VolturnUS-S Hull. UMaine ASCC Report Number 23-56-1183.

17 WIND ENERGY↗
DOE OSTI2026

FOCAL Campaign IV: Integrated System Control: Turbine + Hull

Campaign IV of the Floating Offshore-wind Controls Advanced Laboratory Experimental Program (FOCAL) aimed to generate a dataset enabling the validation of a floating offshore wind turbine with turbine and hull controls. The turbine considered in this campaign is the scaled IEA 15MW Reference Wind Turbine similar to the setup considered in FOCAL Campaign I. This turbine is mounted on the VolturnUS platform with integrated hull controls similar to the hull considered in FOCAL Campaign II/III. This system is deployed for a fully-coupled wind and wave testing campaign at the University of Maine's Harold Alfond Wind and Wave (W2) facility. System dynamics and turbine characteristics are measured to determine global performance and assess the effect of the control strategies employed. NREL's reference open-source controller (ROSCO) is used for active blade pitch control and hull structural control is examined through the use of tuned mass dampers (TMD's) tuned to the systems pitch and tower-bending natural frequency. The naming convention of the load cases considered are described in the data details section. Detailed properties on the modeled system are found in the following reference: Lenfest E., Floating Offshore-wind Controls Advanced Laboratory (FOCAL) Experimental Program - Campaign IV: 1:70 Model-scale Testing of the IEA-Wind 15MW Reference Turbine and the VolturnUS-S Platform. UMaine ASCC Report Number 23-57-1183.

17 WIND ENERGY↗
DOE OSTI2024

Upsampling Monte Carlo Reactor Simulation Tallies in Depleted Sodium-Cooled Fast Reactor Assemblies Using a Convolutional Neural Network

The computational demand of neutron Monte Carlo transport simulations can increase rapidly with the spatial and energy resolution of tallied physical quantities. Convolutional neural networks have been used to increase the resolution of Monte Carlo simulations of light water reactor assemblies while preserving accuracy with negligible additional computational cost. Here, we show that a convolutional neural network can also be used to upsample tally results from Monte Carlo simulations of sodium-cooled fast reactor assemblies, thereby extending the applicability beyond thermal systems. The convolutional neural network model is trained using neutron flux tallies from 300 procedurally generated nuclear reactor assemblies simulated using OpenMC. Validation and test datasets included 16 simulations of procedurally generated assemblies, and a realistic simulation of a European sodium-cooled fast reactor assembly was included in the test dataset. We show the residuals between the high-resolution flux tallies predicted by the neural network and high-resolution Monte Carlo tallies on relative and absolute bases. The network can upsample tallies from simulations of fast reactor assemblies with diverse and heterogeneous materials and geometries by a factor of two in each spatial and energy dimension. The network’s predictions are within the statistical uncertainty of the Monte Carlo tallies in almost all cases. This includes test assemblies for which burnup values and geometric parameters were well outside the ranges of those in assemblies used to train the network.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

Machine learning approaches for crystallographic classification from synthetic 2D X-ray diffraction data

Crystallographic structure identification is crucial for understanding material properties; however, current methodologies often depend on labor-intensive and time-consuming analyses of 2D X-ray diffraction (XRD) patterns. To address these limitations, this study employs synthetic 2D XRD patterns combined with deep learning (DL) techniques to enable automated and high-throughput classification of the seven crystal systems and 230 space groups. We introduce the novel Auto Diffraction Pipeline, designed to generate synthetic 2D XRD spot patterns from crystallographic information files under diverse conditions, including varying zone axes, atomic substitution, atomic depletion and mechanical loading. These conditions enhance the realism of synthetic data, mitigating the scarcity of experimental datasets and enabling the creation of large representative training sets. Convolutional neural networks were trained and validated on these synthetic datasets to classify crystallographic structures across multiple scenarios. Our results demonstrate that integrating synthetic 2D XRD patterns with DL facilitates rapid, accurate and automated crystallographic classification, promoting the wider adoption of data-driven approaches in materials science.

Shahnazari, Ayoub [Univ. of Rochester, NY (United ↗
DOE OSTI2024

A decade of insights: Delving into calendar aging trends and implications

Lithium-ion batteries remain at rest for extended periods and experience calendar aging. Although lithium-ion batteries are expected to perform for over 10 years at room temperature, long-term calendar aging data are seldom reported over such timescales. We present a dataset from 232 commercial cells across eight cell types and five manufacturers that underwent calendar aging across various temperatures and states of charge (SOCs) for up to 13 years. We analyze calendar aging across these conditions by tracking capacity loss and resistance growth as the cells degrade. This dataset is used to validate simple models, primarily the Arrhenius law and the power law, which explain the temperature and storage time on calendar aging. Certain applications of Arrhenius and power law fail to describe the dependence of capacity loss on temperature and resistance growth on storage time. Through this dataset, we demonstrate the complexity of calendar aging and the challenges in reducing trends into phenomenological models.

25 ENERGY STORAGE↗
DOE OSTI2026

Commercial and Residential Hourly Load Profiles for All Typical Meteorological Year 3 (TMY3) Locations in the United States

One way to achieve grid flexibility is to shed or shift demand to align with changing grid needs. To facilitate this, it is critical to understand how and when energy is used. High-quality end-use load profiles (EULPs) provide this information and can help cities, states, and utilities understand the time-sensitive value of energy efficiency, demand response, and distributed energy resources. Publicly available EULPs have traditionally had limited application because of age and incomplete geographic representation. To help fill this gap, the U.S. Department of Energy funded a 3-year project, End-Use Load Profiles for the U.S. Building Stock, that culminated in this publicly available dataset of calibrated and validated 15-minute-resolution load profiles for all major residential and commercial building types and end uses across all climate regions in the United States. These EULPs were created by calibrating the ResStock and ComStock physics-based building stock models using many different measured datasets, as described in the "Technical Report Documenting Methodology" linked in the submission.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Deep Point Cloud Building Envelope Segmentation (DeeP-CuBES) using Deep Learning

Building Information Modeling (BIM) plays an important role in building design and construction, particularly for achieving energy-efficient retrofits. Building envelope retrofits using panelized prefabricated system, such as those popularized by the Energiesprong program, need accurate as-built dimensions of facade features (windows, doors, etc.) to achieve the desired thermal and air tightness. Traditionally, building surveying is done manually, resulting in a time-consuming and labor-intensive process. Recently, 3D point clouds from terrestrial LiDAR have been used to automate the generation of as-built dimensions of existing buildings. However, automated BIM using LiDAR relies on solving the point cloud semantic segmentation (PCSS) problem. In this work, we propose a robust pipeline for solving the PCSS problem using deep neural networks, focusing on overcoming challenges posed by imbalanced datasets and complex architectural features. We introduce the first high-density, labeled, and validated building envelope point cloud dataset derived from multiple building scans, specifically curated to tackle challenges in facade-level segmentation. Results from the trained neural networks show that advanced attention-based architectures and incorporating radiometry (light intensity and RGB) features significantly boost segmentation accuracy for windows and doors.

Selvakumar, Balaji [ORNL]↗
DOE OSTI2026

Data for: A hybrid biophysical-machine learning framework for diurnal surface energy flux estimation using proximal sensing

Thermal-based remote sensing of surface energy fluxes has traditionally relied on high spatial resolution satellite data with revisit frequencies on the order of weeks. In this study, we evaluate a biophysics-based analytical surface energy balance model for predicting latent energy (LE) and sensible heat (H) fluxes using proximal sensing observations. The Surface Temperature Initiated Closure (STIC1.2) model has been extensively validated across a wide range of spatial and temporal scales using various satellite-derived thermal datasets. Here we extend this validation by applying STIC at sub-hourly temporal resolution over multiple growing seasons for four distinct agricultural systems. We further develop and evaluate novel STIC variants that incorporate machine learning (ML) techniques to eliminate the need for specific surface energy balance observations, specifically net radiation and soil heat flux, thereby enhancing model applicability in data-sparse settings. The integration of an ML component to estimate surface available energy is shown to have strong predictive performance for both LE (R2 = 0.81-0.94) and H (R2 = 0.46-0.72) across all agricultural systems examined here, demonstrating the potential of hybrid biophysical – machine learning approaches for surface energy balance modeling with minimal data requirements. This study concludes with a novel application of explainable machine learning (exML) to diagnose sources of model error. This exML framework attributes residual prediction errors to both model input variables and environmental drivers not explicitly included in the simulation experiments. This approach provides a new pathway for improving model design and integrating previously overlooked yet influential variables into future model iterations.

Agricultural Sciences↗
DOE OSTI2025

A statistical and simulation-informed model for estimating permeability from pore size distribution in saturated geomaterials

Accurate permeability estimation is essential across subsurface engineering applications but remains challenging due to the complex pore structures of natural geomaterials. Traditional empirical methods and simplified theoretical models often inadequately capture the role of pore size distribution and connectivity. Here, this study develops a statistical and simulation-informed permeability model that collapses pore-scale complexity into a compact scaling of the form k = αϕμ d 2 , where ϕ is porosity, μ d is mean pore size, and α is a weakly varying coefficient. By combining pore network simulations with statistical analysis of unimodal and bimodal pore size distributions, we identify three key findings: (i) permeability is much more sensitive to mean pore size than to porosity; (ii) across extensive datasets, the ratio σ d /μ d (standard deviation to mean) clusters around a characteristic value ∼0.4, allowing the effects of the full pore size distribution to be represented by μ d and a narrowly varying α ≈ 0.05; and (iii) for bimodal systems, there exists a critical fraction of small pores ∼0.78 above which flow becomes small-pore dominated, enabling the definition of an effective flow-controlling pore population and facilitating simplified permeability estimation for such systems. The resulting model, which requires only porosity and a representative mean pore size as inputs, is validated against comprehensive experimental datasets (>1700 samples) spanning diverse soils and rocks and achieves good predictive accuracy. Overall, this work provides a physically grounded yet practically simple permeability estimator suitable for subsurface engineering, environmental protection, and resource management applications.

Permeability↗
DOE OSTI2026

Atomistic Simulation of Glasses and Amorphous Materials: Challenges and Opportunities for the Next Decade

Atomistic simulations have become indispensable tools for understanding glass structure, dynamics, and properties, yet persistent challenges limit their predictive power. This perspective examines three interconnected issues, namely glass formation procedures, interatomic potential development, and machine learning applications, which emerged from the 5th International Workshop on Challenges of Atomistic Simulations of Glasses and Amorphous Materials. We identify convergent community priorities for (i) standardized validation protocols, (ii) curated benchmark datasets with complete metadata, and (iii) open repositories for glasses. A systematic was forward is provided by a hierarchical validation framework for assessing the structural fidelity, property prediction, and behavioral realism of simulation techniques. Looking ahead, transformative advances are promised by the fusion of classical techniques with machine learning based approaches, for instance, by integrating swap Monte Carlo with machine-learning (ML) potentials, leveraging foundation models through transfer learning, and finetuning ML potentials with experimental data. Progress depends on the community committing to validated models, reproducible protocols, and sustained data sharing.

Krishnan, N. M. Anoop↗
DOE OSTI2026

Neural Posterior Estimation for Scalable and Accurate Inverse Parameter Inference in Li-Ion Batteries

Diagnosing the internal state of Li-ion batteries is critical for battery research, operation of real-world systems, and prognostic evaluation of remaining lifetime. By using physics-based models to perform probabilistic parameter estimation via Bayesian calibration, diagnostics can account for the uncertainty due to model fitness, data noise, and the observability of any given parameter. However, Bayesian calibration in Li-ion batteries using electrochemical data is computationally intensive even when using a fast surrogate in place of physics-based models, requiring many thousands of model evaluations. A fully amortized alternative is neural posterior estimation (NPE). NPE shifts the computational burden from the parameter estimation step to data generation and model training, reducing the parameter estimation time from minutes to milliseconds, enabling real-time applications. The present work shows that NPE can infer parameters equally or more accurately than Bayesian calibration, even if it leads to higher voltage reconstruction errors. We also demonstrate that the higher computational costs for data generation are tractable even in high-dimensional cases (ranging from 6 to 27 estimated parameters). The NPE method also offers several interpretability advantages over Bayesian calibration, such as local parameter sensitivity to specific regions of the voltage curve. The NPE method is demonstrated using an experimental fast charge dataset, with parameter estimates validated against measurements of loss of lithium inventory and loss of active material. The implementation is made available in a companion repository (https://github.com/NatLabRockies/BatFIT).

25 ENERGY STORAGE↗
DOE OSTI2024

A non-isothermal breakage-damage model for plastic-bonded granular materials incorporating temperature, pressure, and rate dependencies

Plastic-bonded granular materials (PBM) are widely used in industrial sectors, including building construction, abrasive applications, and defense applications such as plastic-bonded explosives. The mechanical behavior of PBM is highly nonlinear, irreversible, rate dependent, and temperature sensitive governed by various micromechanical attributions such as grain crushing and binder damage. This paper presents a thermodynamically consistent, microstructure-informed constitutive model to capture these characteristic behaviors of PBM. Key features of the model include a breakage internal variable to upscale the grain-scale information to the continuum level and to predict grain size evolution under mechanical loading. In addition, a damage internal state variable is introduced to account for the damage, deterioration, and debonding of the binder matrix upon loading. Temperature is taken as a fundamental external state variable to handle non-isothermal loading paths. The proposed model is able to capture with good accuracy several important aspects of the mechanical properties of PBM, such as pressure-dependent elasticity, pressure-dependent yield strength, brittle-to-ductile transition, temperature dependency, and rate dependency in the post-yielding regime. Furthermore, the model is validated against multiple published datasets obtained from confined and unconfined compression tests, covering various PBM compositions, confining pressures, temperatures, and strain rates.

Breakage↗
DOE OSTI2025

Characterization of the optical model of the T2K 3D segmented plastic scintillator detector unit cube

The magnetized near detector (ND280) of the T2K long-baseline neutrino oscillation experiment has been recently upgraded aiming to satisfy the requirement of reducing the systematic uncertainty from measuring the neutrino–nucleus interaction cross section, which is the largest systematic uncertainty in the search for leptonic charge-parity symmetry violation. A key component of the upgrade is SuperFGD, a 3D segmented plastic scintillator detector made of approximately 2,000,000 optically-isolated 1 cm 3 cubes. The SuperFGD cube unit shows promising optical performance, including a high light yield of about 40 photoelectrons (p.e.) per channel, a low cube-to-cube crosstalk rate below 3%, and a sub-nanosecond time resolution of 0.96 ns. By combining tracking and stopping power measurements of final state particles, this novel detector enables precise 3D-imaging of GeV neutrino interactions with reduced systematic uncertainties. A detailed Geant4 based optical simulation of the SuperFGD building block, i.e. a plastic scintillating cube read out by three wavelength shifting fibers, has been developed and validated with the different datasets collected in various beam tests. In this manuscript the description of the optical model as well as the comparison with data are reported.

Neutrino oscillations↗
DOE OSTI2025

Conditioned quantum-assisted deep generative surrogate for particle-calorimeter interactions

Particle collisions at accelerators like the Large Hadron Collider (LHC), recorded by experiments such as ATLAS and CMS, enable precise standard model measurements and searches for new phenomena. Simulating these collisions significantly influences experiment design and analysis but incurs immense computational costs, projected at millions of CPU-years annually during the high luminosity LHC (HL-LHC) phase. Currently, simulating a single event with Geant4 consumes around 1000 CPU seconds, with calorimeter simulations especially demanding. To address this, we propose a conditioned quantum-assisted generative model, integrating a conditioned variational autoencoder (VAE) and a conditioned restricted Boltzmann machine (RBM). Our RBM architecture is tailored for D-Wave’s Pegasus-structured advantage quantum annealer for sampling, leveraging the flux bias for conditioning. This approach combines classical RBMs as universal approximators for discrete distributions with quantum annealing’s speed and scalability. We also introduce an adaptive method for efficiently estimating effective inverse temperature, and validate our framework on Dataset 2 of CaloChallenge.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Heterogeneous estimations of non-pharmaceutical mitigation behavior during the COVID-19 pandemic

The COVID-19 pandemic highlighted the importance of human behavior in mitigating the spread of disease. Nonetheless, human behavior is often overlooked in models of disease spread, particularly by underutilizing real-world data. We address this by estimating probabilities that individuals engage in behaviors that influence SARS-CoV-2 transmission risk during the COVID-19 pandemic, between September 2020 and June 2022. These behaviors include wearing a mask, using public transportation, spending time with others, avoiding contact with others, and going to work. Our estimates account for the age and sex of individuals and are generated for every county in the United States. We utilized multiple open-source datasets and United States Census data to produce these estimates. Multiple datasets were used for validation, showing our estimates demonstrated comparable accuracy and robustness. Our estimates aid in understanding human behavior dynamics during the COVID-19 pandemic and could be used to inform monthly or longer-term behavior in simulations of COVID-19. Moreover, the methods presented can be applied to other behaviors and features for future simulations of infectious disease.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Active learning of a crystal plasticity flow rule from discrete dislocation dynamics simulations

Continuum-scale material deformation models, such as crystal plasticity (CP), can significantly enhance their predictive accuracy by incorporating input from lower-scale (i.e. mesoscale) models. The procedure to generate and extract the relevant information is however typically complex and ad hoc, involving decision and intervention by domain experts, leading to long development times. In this study, we develop a principled approach for calibration of continuum-scale models using lower scale information by representing a CP flow rule as a Gaussian process model. This representation allows for efficient parameter space exploration, guided by the uncertainty embedded in the model through a process known as Bayesian optimization (BO). We demonstrate a semi-autonomous BO loop which instantiates discrete dislocation dynamics simulations whose initial conditions are automatically chosen to optimize the uncertainty of a model CP flow rule. Our self-guided computational pipeline efficiently generated a dataset and corresponding model whose error, uncertainty, and physical feature sensitivities were validated with comparison to an independent dataset four times larger, demonstrating a valuable and efficient active learning implementation readily transferable to similar material systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Structure-aware annotation of leucine-rich repeat domains

Protein domain annotation is typically done by predictive models such as HMMs trained on sequence motifs. However, sequence-based annotation methods are prone to error, particularly in calling domain boundaries and motifs within them. These methods are limited by a lack of structural information accessible to the model. With the advent of deep learning-based protein structure prediction, existing sequenced-based domain annotation methods can be improved by taking into account the geometry of protein structures. We develop dimensionality reduction methods to annotate repeat units of the Leucine Rich Repeat solenoid domain. The methods are able to correct mistakes made by existing machine learning-based annotation tools and enable the automated detection of hairpin loops and structural anomalies in the solenoid. The methods are applied to 127 predicted structures of LRR-containing intracellular innate immune proteins in the model plant Arabidopsis thaliana and validated against a benchmark dataset of 172 manually-annotated LRR domains.

Xu, Boyan↗