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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Towards Lightweight Data Integration Using Multi-Workflow Provenance and Data Observability

Modern large-scale scientific discovery requires multidisciplinary collaboration across diverse computing facilities, including High Performance Computing (HPC) machines and the Edge-to-Cloud continuum. Integrated data analysis plays a crucial role in scientific discovery, especially in the current AI era, by enabling Responsible AI development, FAIR, Reproducibility, and User Steering. However, the heterogeneous nature of science poses challenges such as dealing with multiple supporting tools, cross-facility environments, and efficient HPC execution. Building on data observability, adapter system design, and provenance, we propose MIDA: an approach for lightweight runtime Multi-workflow Integrated Data Analysis. MIDA defines data observability strategies and adaptability methods for various parallel systems and machine learning tools. With observability, it intercepts the dataflows in the background without requiring instrumentation while integrating domain, provenance, and telemetry data at runtime into a unified database ready for user steering queries. We conduct experiments showing end-to-end multi-workflow analysis integrating data from Dask and MLFlow in a real distributed deep learning use case for materials science that runs on multiple environments with up to 276 GPUs in parallel. We show near-zero overhead running up to 100,000 tasks on 1,680 CPU cores on the Summit supercomputer.

Santos Souza, Renan↗
DOE OSTI2021

A general theory of avian migratory connectivity

Birds exhibit a remarkable array of seasonal migrations. Despite much research describing migratory behaviour, the underlying forces driving how a species’ breeding and wintering populations redistribute each year, that is, migratory connectivity, remain largely unknown. Here, we test the hypothesis that birds migrate in a way that minimises energy expenditure while considering intraspecific competition for energy acquisition, by developing a modelling framework that simulates an optimal redistribution of individuals between breeding and wintering areas. Using 25 species across the Americas, we find that the model accurately predicts empirical migration patterns, and thus offers a general explanation for migratory connectivity based on first ecological and energetic principles. Our model provides a strong basis for exploring additional processes underlying the ecology and evolution of migration, but also a framework for predicting how migration impacts local adaptation across seasons and how environmental change may affect population dynamics in migratory species.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

UnifyFS: A User-level Shared File System for Unified Access to Distributed Local Storage

We introduce UnifyFS, a user-level file system that aggregates node-local storage tiers available on high performance computing (HPC) systems and makes them available to HPC applications under a unified namespace. UnifyFS employs transparent I/O interception, so it does not require changes to application code and is compatible with commonly used HPC I/O libraries. The design of UnifyFS supports the predominant HPC I/O workloads and is optimized for bulk-synchronous I/O patterns. Furthermore, UnifyFS provides customizable file system semantics to flexibly adapt its behavior for diverse I/O workloads and storage devices. In this paper, we discuss the unique design goals and architecture of UnifyFS and evaluate its performance on a leadership-class HPC system. In our experimental results, we demonstrate that UnifyFS exhibits excellent scaling performance for write operations and can improve the performance of application checkpoint operations by as much as 3× versus a tuned configuration.

Brim, Michael↗
DOE OSTI2023

On the influence of over-parameterization in manifold based surrogates and deep neural operators

Constructing accurate and generalizable approximators (surrogate models) for complex physico-chemical processes exhibiting highly non-smooth dynamics is challenging. The main question is what type of surrogate models we should construct and should these models be under-parameterized or over-parameterized. In this work, we propose new developments and perform comparisons for two promising approaches: manifold-based polynomial chaos expansion (m-PCE) and the deep neural operator (DeepONet), and we examine the effect of over-parameterization on generalization. While m-PCE enables the construction of a mapping by first identifying low-dimensional embeddings of the input functions, parameters, and quantities of interest (QoIs), a neural operator learns the nonlinear mapping via the use of deep neural networks. Here, we demonstrate the performance of these methods in terms of generalization accuracy by solving the 2D time-dependent Brusselator reaction-diffusion system with uncertainty sources, modeling an autocatalytic chemical reaction between two species. We first propose an extension of the m-PCE by constructing a mapping between latent spaces formed by two separate embeddings of the input functions and the output QoIs. To further enhance the accuracy of the DeepONet, we introduce weight self-adaptivity in the loss function. We demonstrate that the performance of m-PCE and DeepONet is comparable for cases of relatively smooth input-output mappings. However, when highly non-smooth dynamics is considered, DeepONet shows higher approximation accuracy. We also find that for m-PCE, modest over-parameterization leads to better generalization, both within and outside of distribution, whereas aggressive over-parameterization leads to over-fitting. In contrast, an even highly over-parameterized DeepONet leads to better generalization for both smooth and non-smooth dynamics. Furthermore, we compare the performance of the above models with another recently proposed operator learning model, the Fourier Neural Operator, and show that its over-parameterization also leads to better generalization. Taken together, our studies show that m-PCE can provide very good accuracy at very low training cost, whereas a highly over-parameterized DeepONet can provide better accuracy and robustness to noise but at higher training cost. In both methods, the inference cost is negligible.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Predicted range expansion of Prostephanus truncatus (Coleoptera: Bostrichidae) under projected climate change scenarios

Abstract The larger grain borer (Prostephanus truncatus [Horn] [Coleoptera: Bostrichidae]) is a wood-boring insect native to Central America and adapted to stored maize and cassava. It was accidentally introduced to Tanzania and became a pest across central Africa. Unlike many grain pests, P. truncatus populations can establish and move within forests. Consequently, novel infestations can occur without human influence. The objectives of our study were to (i) develop an updated current suitability projection for P. truncatus, (ii) assess its potential future distribution under different climate change scenarios, and (iii) identify climate variables that best inform the model. We used WALLACE and MaxEnt to predict potential global distribution by incorporating bioclimatic variables and occurrence records. Future models were projected for 2050 and 2070 with Representative Concentration Pathways (RCPs) 2.6 (low change) and 8.5 (high change). Distribution was most limited by high precipitation and cold temperatures. Globally, highly suitable areas (> 75%) primarily occurred along coastal and equatorial regions with novel areas in northern South America, India, southeastern Asia, Indonesia, and the Philippines, totaling 7% under current conditions. Highly suitable areas at RCPs 2.6 and 8.5 are estimated to increase to 12% and 15%, respectively, by 2050 and increase to 19% in 2070 under RCP 8.5. Centroids of highly suitable areas show distribution centers moving more inshore and away from the equator. Notably, the result is a range expansion, not a shift. Results can be used to decrease biosecurity risks through more spatially explicit and timely surveillance programs for targeting the exclusion of this pest.

Entomology↗
DOE OSTI2025

Advancing Grid Resilience through Smart Charge Management: Findings from Maryland’s Pilot

This report presents research findings from a four-year Smart Charge Management (SCM) pilot program conducted by Maryland’s largest electric utilities—Baltimore Gas and Electric (BGE), Potomac Electric Power Company (Pepco), and Delmarva Power & Light (DPL)—to evaluate strategies for optimizing electric vehicle (EV) charging loads and enhancing grid stability. Supported by the U.S. Department of Energy (DOE), Argonne National Laboratory collaborated with all project partners and examined the effectiveness of Time-of-Use (TOU) and Load Balancing (LB) strategies in managing peak demand, deferring costly infrastructure upgrades, and reducing grid constraints at the feeder level. Using charging data from over 4,600 EV drivers, the study analyzed SCM’s impact on the distribution systems of BGE and Pepco, which consists of over 2000 feeders. Unlike prior research that focused on system-wide trends or synthetic feeders, this analysis offers granular, feeder-level insights based on real-world operational data. It highlights how transformer density, load profiles, and infrastructure constraints influence smart charging performance. Results show feeder-level conditions play a crucial role in SCM effectiveness, with most feeders benefiting more from LB, while TOU-based SCM may be sufficient for others. By 2035, LB reduced peak charging loads by 27% on average, compared to 23% under TOU-based SCM, though some feeders saw reductions exceeding 35%, while others experienced minimal impact. Feeders with higher transformer utilization and limited capacity benefited more from LB, which more effectively distributed charging demand during off-peak hours. Beyond reducing grid constraints, SCM offers long-term operational and financial benefits. By shifting EV charging demand strategically, utilities can optimize asset utilization, delay infrastructure investments, and enhance grid performance. In terms of infrastructure upgrade deferrals, at the feeder level, LB consistently reduced peak charging loads and resulting infrastructure upgrade costs, particularly in high EV enrollment areas, decreasing the number of overloaded transformers by up to 35%, while TOU-based SCM achieved 20-30% reductions depending on feeder characteristics. At the system level, LB has the potential to defer total upgrade costs by $\$$186 million for BGE, compared to $\$$159 million under TOU-based SCM. For Pepco, TOU-based SCM performed slightly better, deferring upgrade costs by $\$$30 million, compared to $\$$29 million under LB. Section 4.5 reviews some of the system differences between BGE and Pepco. However, as EV adoption scales, TOU-based SCM will introduce secondary peak charging loads, reinforcing the need for more advanced, adaptive SCM approaches to prevent new grid challenges. As EV adoption continues to grow, feeder-level managed charging strategies will be essential for mitigating grid stress, improving infrastructure efficiency, and maintaining energy affordability for consumers. This report provides critical insights for utilities, Public Utility Commissions (PUCs), and state agencies on the role of feeder-specific smart charging in infrastructure planning, policy development, and grid modernization. The findings underscore the importance of tailored, data-driven SCM solutions that align with local grid conditions, ensuring a resilient, cost-effective transition to increasing EV adoption while safeguarding distribution system performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Large-Scale Inference of Multivariate Regression for Heavy-Tailed and Asymmetric Data

Large-scale multivariate regression is a fundamental statistical tool with a wide range of applications. Here, this study considers the problem of simultaneously testing a large number of general linear hypotheses, encompassing covariate-effect analysis, analysis of variance, and model comparisons. The challenge that accompanies a large number of tests is the ubiquitous presence of heavy-tailed and/or highly skewed measurement noise, which is the main reason for the failure of conventional least squares-based methods. For large-scale multivariate regression, we develop a set of robust inference methods to explore data features such as heavy tailedness and skewness, which are not visible to least squares methods. The new testing procedure is based on the data-adaptive Huber regression and a new covariance estimator of regression estimates. Under mild conditions, we show that our methods produce consistent estimates of the false discovery proportion. Extensive numerical experiments and an empirical study on quantitative linguistics demonstrate the advantage of the proposed method over many state-of-the-art methods when the data are generated from heavy-tailed and/or skewed distributions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Adaptive Control for Residential HVAC Systems to Support Grid Services

In this paper, we propose an adaptive control strategy for residential buildings' heating ventilation and air conditioning (HVAC) systems to support grid services. The proposed control strategy captures the time-varying characteristics of the building and weather environments. It assigns to each building a local controller to maintain the indoor temperature within a desired comfort level, while the load aggregator allocates the assigned reference power provided by the distribution system operator to support a specific grid service, such as demand peak reduction, balancing supply and demand, and consuming the solar photovoltaic (PV) power locally. Simulation results are presented to verify the performance of the proposed control strategy in terms of maintaining the indoor temperatures of several buildings within the desired comfort bands while tracking the reference power profile. Also, a comparison with a recently developed model-free control strategy is presented.

Wu, Tumin↗
DOE OSTI2020

Emergence of robust anthropogenic increase of heat stress-related variables projected from CORDEX-CORE climate simulations

The information of when and where region-specific patterns in both mean and extreme temperatures leading to heat stress will emerge from the present-day climate variability is important to plan adaptation options, but to date studies on this issue still remain limited and fragmented. Here, we estimate the time of emergence (TOE) of temperature and wet-bulb temperature (Tw), a better indication of heat stress, using fine-scale, long-term regional climate model projections under the RCP2.6 and RCP8.5 scenarios across six different domains. Differently from previous studies, the TOE is determined using three methods applied on impact-relevant variables: two different signal-to-noise frameworks based on summer mean temperature and Tw and a statistical test to identify significant differences in daily extreme distributions. The TOE response to RCP2.6 and RCP8.5 with respect to the end of 20th century variability differs significantly regardless of which TOE metric is applied. For summer mean temperature, the land fraction reaching TOE is expected to exceed 90% by the 2050s under the RCP8.5, whereas the increase rate of land exposure to TOE tends to stagnate over time under the RCP2.6 so that more than 40% of land will not experience TOE by the end of the 21st century. Compared to temperature, the TOE of Tw is reached earlier in most of the wet tropics but is delayed in hot and dry regions because of the nonlinear response of Tw to humidity. For both temperature and Tw, the TOE appears earlier in regions with low baseline variability, such as in the tropics. Despite the uncertainties arising from the choice of TOE metrics, the vast majority of regions in Africa and southeast Asia experience TOE in the early 21st century under both the RCP2.6 and RCP8.5 scenarios, which stresses the urgent need for developing adequate adaptation strategies in these regions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Stakeholder-guided holistic, Adaptive Framework for enhancing community Energy Resilience (SAFER) (Final Technical Report)

The Stakeholder-guided holistic, Adaptive Framework for enhancing community Energy Resilience (SAFER) project advances resilience science and engineering by addressing challenges in rural Kansas communities where aging infrastructure, extreme weather, and socioeconomic disparities heighten vulnerability to energy disruptions. Traditional approaches often focus on technical performance while overlooking community concerns and priorities. SAFER responds by integrating community perspectives with advanced analytical frameworks to create a holistic model for measuring and improving resilience. Project objectives included developing novel resilience metrics, advancing modeling frameworks that capture interdependencies across infrastructures, and embedding community-centric indicators directly into planning processes for distributed energy resources. The key technical innovations included the creation of self-organizing map (SOM)-based indices for objective resilience quantification, hetero-functional graph theory (HFGT) models linking power, water, transportation, and community assets, and graph neural network (GNN) tools for identifying critical nodes in complex systems. Community-centric energy planning was demonstrated through optimal siting and sizing of (photovoltaic) PV and battery storage, ensuring resilience enhancements also addressed energy burden and energy insecurity. SAFER engaged community partners in Dodge City and Ford County through surveys, focus groups, and workshops, generating more than 600 responses that established baseline measures of energy burden, financial insecurity, and willingness-to-pay to avoid outages. This data, organized in terms of a community capitals framework, informed the development of weighted reliability indices that better reflect community costs than traditional utility metrics. SAFER’s GNN-based critical node identification framework identified expert-labelled critical nodes with over 99% accuracy, while also uncovering additional functionalities essential for proactive resilience planning. The project’s models demonstrated that optimal PV and storage deployment could improve resilience indices by over 11 percent, with dispatch strategies further enhancing outcomes, confirming both the technical effectiveness and economic feasibility of these approaches. Through its combined emphasis on rigorous modeling, community-focused planning, and community engagement, SAFER advances the state of resilience research while delivering direct benefits to rural communities. The project provides tools, guidelines, and resilience heatmaps that help utilities, local governments, and residents better anticipate disruptions, prioritize investments, and strengthen the capacity to withstand and recover from energy-related hazards. Furthermore, the developed HFG and GNN frameworks are designed for transferability, allowing them to be adapted for resilience planning in other communities with minimal retraining. This inductive learning capability provides a scalable pathway to extend the SAFER project’s impact. Thus, creating a foundation for a nationally applicable model of infrastructure resilience. Additionally, the HFG can also be extended to include other FEMA community lifelines.

14 SOLAR ENERGY↗
DOE OSTI2025

Evaluating the potential of short-term instrument deployment to improve distributed wind resource assessment

Distributed wind projects, which are connected at the distribution level of an electricity system or in off-grid applications to serve specific or local energy needs, often rely solely on wind resource models to establish wind speed and energy generation expectations. Historically, anemometer loan programs have provided an affordable avenue for more accurate onsite wind resource assessment, and the lowering cost of lidar systems has shown similar advantages for more recent assessments. While a full 12 months of onsite wind measurement is the standard for correcting model-based long-term wind speed estimates for utility-scale wind farms, the time and capital investment involved in gathering onsite measurements must be reconciled with the energy needs and funding opportunities that drive expedient deployment of distributed wind projects. Much literature exists to quantify the performance of correcting long-term wind speed estimates with 1 or more years of observational data, but few studies explore the impacts of correcting with months-long observational periods. This study aims to answer the question of how short you can go in terms of the observational time period needed to make impactful improvements to model-based long-term wind speed estimates. Three algorithms, multivariable linear regression, adaptive regression splines, and regression trees, are evaluated for their skill at correcting long-term wind resource estimates from the European Centre for Medium-Range Weather Forecasts Reanalysis version 5 (ERA5) using months-long periods of observational data from 66 locations across the US. On average, correction with even 1 month of observations provides significant improvement over the baseline ERA5 wind speed estimates and produces median bias magnitudes and relative errors within 0.22 m s −1 and 4 percentage points of the median bias magnitudes and relative errors achieved using the standard 12 months of data for correction. However, in cases when the shortest observational periods (1 to 2 months) used for correction are not well correlated with the overlapping ERA5 reference, the resultant long-term wind speed errors are worse than those produced using ERA5 without correction. Summer months, which are characterized by weaker relative wind speeds and standard deviations for most of the evaluation sites, tend to produce the worst results for long-term correction using months-long observations. The three tested algorithms perform similarly for long-term wind speed bias; however, regression trees perform notably worse than multivariable linear regression and adaptive regression splines in terms of correlation when using 6 months or less of observational data for correction. Translating the analysis to wind energy, median relative errors in the capacity factor are on average within 10 % using 1 month of training. If the observation period used for correction is not well correlated with the reference data, however, misrepresentation of the observed capacity factor can be substantial. The risk associated with poor correlation between the observed and reference datasets decreases with increasing training period length. In the worst-correlation scenarios, the median capacity factor relative errors from using 1, 3, and 6 months are within 47 %, 26 %, and 16 %, respectively.

17 WIND ENERGY↗
DOE OSTI2020

LA17-V-InverseRadTransportProblem-PD2Kb. Final Project Report

In the inverse radiation transport problem, a radiation signal emanating from an unknown object is used to reconstruct geometric and material parameters of the object , e.g., the mass of special nuclear material (SNM), the isotopic composition of the SNM (e.g., the enrichment of 235U), the thickness of shielding, etc. The inverse radiation transport problem is one of the most fundamental and important in the emergency response mission, and has been addressed in previous NA-22 and NA-42/84 investments by using derivative-free optimization methods. Our project was aimed at (i) consolidating previous work by applying polynomial chaos expansion (PCE) for reducing significantly the number of forward model simulations required by derivative-free optimization methods; (ii) developing a general-purpose framework and stand-alone software for solving the inverse radiation transport problem by applying a new “predictive modeling” methodology (predictive modeling of coupled multi-physics systems, PM_CMPS) which enables the fusing of experimental and computational information; and (iii) developing several benchmarks (for unscattered gamma rays) for demonstrating the quantification of non-Gaussian features (e.g., skewness and kurtosis, which characterize asymmetries and long tails) of response distributions by deterministically and efficiently propagating parameter uncertainties (covariances and higher-order moments, where available) using high-order sensitivities computed by the recently developed comprehensive adjoint sensitivity analysis methodology (C-ASAM). With regard to (i), application of PCE, the most significant accomplishment of this project was an implementation of PCE into INVERSE that significantly reduced computation time for the DiffeRential Evolution Adaptive Metropolis (DREAM) and Differential Evolution (DE) methods. For inverse transport problems with measurements of neutron leakage, neutron multiplication, and neutron-induced gamma-rays, the solution times for the DREAM and DE methods were reduced by factors of 30-300, reducing run times from hours to minutes while maintaining the same accuracy as the standard (non-PCE) DREAM and DE. Speedups were further improved by exploring sparse grid quadrature sets using the Toolkit for Adaptive Stochastic Modeling and Non-Intrusive ApproximatioN (Tasmanian) toolset. An initial exploration of sparse grids indicated that further speedups factors of 5-10 are obtainable. The implementation of PCE in INVERSE is not in a form that users can easily access. With regard to (ii), solving the inverse problem using a predictive modeling paradigm, the most significant accomplishment of this project were the derivation and implementation of adjoint-based second derivatives in neutron and photon transport theory. There are two codes that compute these derivatives. SENSPG computes them for uncollided gamma rays and SENSMG computes them for neutron leakage. SENSMG is open-source code available on github. Other significant accomplishments included a stand-alone code, MULTI-PRED, that implements the predictive modeling paradigm, along with a detailed manual. The code was implemented in the existing INVERSE code for inverse problems, but a head-to-head comparison of inverse methods was not achieved. We also derived and implemented the capability to compute sensitivities for multiplicity measurements into the SENSMG code, and this capability was used in a data assimilation application, but it was not used for solving inverse problems. With regard to (iii), developing benchmarks to demonstrate the importance of high-order sensitivity and uncertainty analysis, the most significant accomplishment of this project were two test problems that showed how important second-order sensitivities are.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Oscillatory Power Control and Consensus in Unbalanced Networks Using Grid Forming Inverters

In this paper, a state-space nonlinear control previously designed for balanced operation of grid-forming (GFM) inverters is extended to unbalanced operations. Unbalanced voltages and currents are analyzed, and their time-varying direct, quadrature, and zero components are parameterized in terms of six constant parameters. These parameters provide primary control design choices for not only an inverter’s terminal voltage but also its injections of both real and oscillatory power. It is shown that the proposed GFM control can precisely achieve a desired balanced terminal voltage under unbalanced loads. It is also shown that, by allowing the terminal voltage to be slightly unbalanced, oscillatory power can be adaptively minimized. Lastly, it is illustrated that oscillatory power can also be shared among multiple GFM inverters. Case studies and their simulations demonstrate that the proposed GFM control is effective in meeting the aforementioned objectives.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Enabling Floating Solar Photovoltaic (FPV) Deployment: FPV Technical Potential Assessment for Southeast Asia

Southeast Asia (SE Asia) is a region with growing energy demand and increasing development of floating solar photovoltaic (FPV) systems, which can help meet countries' renewable energy and energy security goals. This study uses a high-level geospatial assessment methodology to estimate the technical potential for monofacial and bifacial FPV on reservoirs and natural waterbodies in the ten countries within the Association of Southeast Asian Nations (ASEAN). Technical potential consists of the suitable waterbody area for FPV development (km2), the capacity of FPV that could be installed on this suitable area (MW), and the annual energy that could be generated from these installations (GWh/year). This first-of-its-kind FPV technical potential assessment for SE Asia can help policymakers and planners better understand the role that FPV could play in meeting regional energy demand and can ultimately guide investment decisions. Although this work focuses on SE Asia, the methodology may also be applicable for countries in other regions, with adaptations. The FPV technical potential results are also integrated into the Renewable Energy (RE) Data Explorer online tool (https://www.re-explorer.org/).

bifacial↗
DOE OSTI2024

Integration and validation of some modules for modelling of high-speed chemically reactive flows in two-phase gas-droplet mixtures

Three modules are integrated into the built-in OpenFOAM rhoCentralFoam solver towards accurate and efficient modelling of high-speed chemically reactive flows in two-phase gas-droplet mixtures within the OpenFOAM 10.0 framework. The first module is the mixture-averaged diffusion model. The second module is the built-in OpenFOAM Lagrangian solver coupled with optimised droplet drag coefficient and convective heat transfer coefficient sub-models. The last module is a sparse stiff chemistry solver based on dynamic adaptive hybrid integration (AHI-S). The optimised droplet sub-models are first verified in correct implementation for subsequent simulations in this work. Further, they show good accuracy against experimental and analytical data in the modelling of ammonia droplet acceleration and cooling in the flowing and/or low-temperature air. The accuracy and efficiency gains related to the mixture-averaged diffusion model and the AHI-S chemistry solver are examined by simulating 1-D detonation propagation in ammonia droplet-free/laden ammoniaoxygen mixtures. Numerical results of detonation propagation speed, gaseous temperature, density, and species distributions around the induction zone show good agreement with experimental data and analytical solutions. Compared to the built-in OpenFOAM diffusion model, the mixture-averaged diffusion model provides different numerical predictions of pulsating instabilities in detonation propagation. It shows better accuracy in depicting the detonation structure within the droplet-free section attributed to improved multi-component diffusion modelling. Compared to the built-in OpenFOAM solver EulerImplicit (backward Euler), the AHI-S chemistry solver reduces the computational cost by around 50%. It achieves satisfactory accuracy in calculating detonation propagation speed within the droplet-free section with the optimal efficiency when the safety factor, β, equals 0.5.

42 ENGINEERING↗
DOE OSTI2021

Role of underlying surface, rainstorm and antecedent wetness condition on flood responses in small and medium sized watersheds in the Yangtze River Delta region, China

Floods are becoming more frequent and are hard to control due to the shortage of water conservancy projects in small and medium sized basins, especially in developing regions. Understanding the hydrologic responses and estimated flood characteristics to storm events can help to predict flood disasters and form better effective mitigation and adaptation strategies. Here, using observations of several representative watersheds and Artificial Neural Networks (ANN) and Principal Component Regression (PCR) models, we conducted data-driven analyses to examine the flood responding characteristics. We quantified the relative contributions of the influencing factors to the variation of each flood characteristic. Statistical analysis of the observations shows that the drainage area plays a key role in determining the distribution of lag time and peak discharge. Rainstorm variability has direct influence on floods, and typhoon-induced rainstorms with high total rainfall and rainfall intensity generate higher lag time, flood peak, unit discharge and runoff depth, but lower runoff coefficient. The ANN and PCR models accurately predicted the variations of flood features using the driving factors including physical geographical characteristics, rainstorm features, and antecedent condition. Physical geographic characteristics are key influential factors of lag time, flood peak and runoff coefficient, while the rainstorm features control the magnitude of unit discharge and runoff depth. These results indicate that floods are mainly affected by rainstorm features and physical geographic characteristics in the Yangtze River delta, and it might become more damaging with the increasing rainfall extremes and sprawling impervious surfaces in a changing environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Spatial patterns of light-harvesting antenna complex arrangements tune the transfer-to-trap efficiency of excitons in purple bacteria.

In photosynthesis, the efficiency with which a photogenerated exciton reaches the reaction center is dictated by chromophore energies and the arrangement of chromophores in the supercomplex. Here, we explore the interplay between the arrangement of light-harvesting antennae and the efficiency of exciton transport in purple bacterial photosynthesis. Using a Miller-Abrahams-based exciton hopping model, we compare different arrangements of light-harvesting proteins on the intracytoplasmic membrane. We find that arrangements with aggregated LH1s have a higher efficiency than arrangements with randomly distributed LH1s in a wide range of physiological light fluences. This effect is robust to the introduction of defects on the intracytoplasmic membrane. Our result explains the absence of species with aggregated LH1 arrangements in low-light niches and the large increase seen in the expression of LH1 dimer complexes in high fluences. We suggest that the effect seen in our study is an adaptive strategy toward solar light fluence across different purple bacterial species.

Onizhuk, Mykyta↗
DOE OSTI2025

Implementation of disruptive designs for gas turbine components using direct energy deposition additive manufacturing

This research aims to develop a framework for establishing the correlation between in-situ monitoring data, process parameters, and microstructure evolution in blown-powder laser-directed energy deposition (DED) additive manufacturing (AM). To achieve this, a comprehensive manufacturing framework has been developed, spanning from in-situ data acquisition, melt-pool simulation, microstructure modeling, and statistical microstructure quantification. A machine learning-based surrogate model is constructed to predict melt pool geometry directly from in-situ coaxial camera data. The surrogate model is trained using outputs from a high-fidelity melt pool simulation, which provides accurate melt pool dimension data under varying process conditions. The predicted melt pool geometry is then used as input to a microstructure model to predict microstructural features. To rigorously compare and analyze microstructures, the project introduces statistical metrics that quantify differences based on key features such as morphology and texture. Microstructures are represented using advanced statistical descriptors including angular chord length distribution, two-point spatial statistics, orientation distribution function, and global spherical harmonic. These representations are used to compute four distinct “dissimilarity scores” that quantitatively capture differences in texture and morphology. This framework is demonstrated to enable automated calibration of simulation parameters by minimizing discrepancies between simulated and target microstructures. The technology developed in this project enables direct correlation between in-situ monitoring data and resulting microstructure, paving the way for adaptive microstructure control in metal AM. This capability strengthens the connection between process parameters and final material properties, facilitating more precise and reliable material design.

36 MATERIALS SCIENCE↗