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All sourcesNASA NTRSDOE OSTI
NASA NTRS2026

Remote Sensing-Driven Hydrodynamic Modeling in Data-Scarce Regions: Integrating ICESat-2, Sentinel-2, SWOT and Re-analysis Models for Coastal Monitoring

Hydrodynamic models in coastal and estuarine systems are typically constrained by sparse bathymetry, boundary, and validation data, especially in regions where field campaigns are costly or impractical. Here we develop and test a fully satellite-driven framework for hydrodynamic modeling in South Africa’s Langebaan Lagoon without using any local in situ measurements. Bathymetry is derived by training multispectral Sentinel-2 reflectance against ICESat-2 ATL24 photon-derived depths using an XGBoost model optimized with Bayesian search. The final satellite-derived bathymetry reproduces independent ATL24 points with RMSE = 0.45 m and R 2 = 0.97. This bathymetry was used in a depth-averaged Delft3D Flexible Mesh model driven at the open boundary by TPXO tidal harmonics and by ERA5 winds. We validate modeled water surface elevation against 16 SWOT low-rate (250 m, unsmoothed) passes in 2023. SWOT–model comparisons yield an overall RMSE of 0.11 m and R 2 = 0.61, with typical point differences <0.10 m (∼7% of the 1.5 m tidal range), and showed consistent spatial gradients in water level from the offshore boundary, through Saldanha Bay, and into the lagoon. At the offshore boundary, TPXO and SWOT sea surface heights agree closely (R 2 = 0.86). A simple phase adjustment of ∼26,min between TPXO and SWOT lowers the RMSE from 0.18,m to 0.11,m, showing that phase offset accounts for some of the discrepancy, with additional errors likely linked to non-tidal signals. Our results demonstrate that combining passive optical, photon-counting LiDAR, radar interferometry, and global tidal/atmospheric models enables robust, transferrable hydrodynamic modeling in data-scarce coastal systems, offering a cost-effective pathway for monitoring.

ICESat-2↗
DOE OSTI2024

Binary Quantum Control Optimization with Uncertain Hamiltonians

Optimizing the controls of quantum systems plays a crucial role in advancing quantum technologies. The time-varying noises in quantum systems and the widespread use of inhomogeneous quantum ensembles raise the need for high-quality quantum controls under uncertainties. In this paper, we consider a stochastic discrete optimization formulation of a discretized binary optimal quantum control problem involving Hamiltonians with predictable uncertainties. We propose a sample-based reformulation that optimizes both risk-neutral and risk-averse measurements of control policies, and solve these with two gradient-based algorithms using sum-up-rounding approaches. Furthermore, we discuss the differentiability of the objective function and prove upper bounds of the gaps between the optimal solutions to binary control problems and their continuous relaxations. We conduct numerical simulations on various sized problem instances based on two applications of quantum pulse optimization; we evaluate different strategies to mitigate the impact of uncertainties in quantum systems. In conclusion, we demonstrate that the controls of our stochastic optimization model achieve significantly higher quality and robustness compared with the controls of a deterministic model.

conditional value-at-risk (CVaR)↗
DOE OSTI2026

Xanthos-Lake Model Source Code

This repository contains the source code for Xanthos-Lake, a lake-modeling extension of the Xanthos framework that introduces a coupled lake component comprising the Xanthos-Lake Snow and Ice Model (xLSIM) and the Xanthos-Lake Water Balance Model (xLWBM). xLSIM is a basin-aware machine-learning model for lake snow, ice, and thermal conditions. It predicts monthly lake ice thickness, snow depth, snow-cover fraction, mixing-layer temperature, and lake ice fraction from meteorological forcing and lake surface-area information. It uses sequence-based deep-learning architectures, including Transformer and hybrid Long Short-Term Memory–Transformer (LSTM–Transformer) models, together with seasonal encoding, multi-lake learning, physical masking, and basin-level cryospheric and non-cryospheric classification. The training workflow uses Ray for scalable execution and includes optional Ray Tune hyperparameter optimization. Model predictions, observations, diagnostics, and feature-importance outputs are written in NetCDF. xLWBM is the water-balance component of the new lake framework. It simulates monthly lake storage, surface area, evaporation, inflow, outflow, and lake–groundwater exchange. It combines physical water-balance equations with calibrated bathymetric relationships, weir-based outlet flow, modified Penman open-water evaporation, groundwater head relaxation, Penman–Monteith snow and ice sublimation, and snow, ice, and thermal conditions supplied by xLSIM. The model calibrates lake parameters against satellite-derived surface-area data, using evaporation-based calibration where surface-area data are unavailable, and supports small, medium, and large lake classes. For large lakes, xLWBM is integrated with the managed-routing workflow so that lake storage and outflow interact directly with downstream river routing and reservoir operations. Together, xLSIM and xLWBM provide Xanthos with a coupled lake-modeling capability. xLSIM supplies the snow, ice, and thermal conditions that affect lake evaporation and snow- and ice-related water exchanges, while xLWBM translates those conditions into dynamic lake storage, surface area, evaporation, and discharge. In return, xLWBM supplies evolving lake surface area to xLSIM. This coupling enables Xanthos to represent lakes as active hydrologic components within basin-scale water-availability and routing simulations.

Machine Learning↗
NASA NTRS1999

Advanced Modeling Strategies for the Analysis of Tile-Reinforced Composite Armor

A detailed investigation of the deformation mechanisms in tile-reinforced armored components was conducted to develop the most efficient modeling strategies for the structural analysis of large components of the Composite Armored Vehicle. The limitations of conventional finite elements with respect to the analysis of tile-reinforced structures were examined, and two complementary optimal modeling strategies were developed. These strategies are element layering and the use of a tile-adhesive superelement. Element layering is a technique that uses stacks of shear deformable shell elements to obtain the proper transverse shear distributions through the thickness of the laminate. The tile-adhesive superelement consists of a statically condensed substructure model designed to take advantage of periodicity in tile placement patterns to eliminate numerical redundancies in the analysis. Both approaches can be used simultaneously to create unusually efficient models that accurately predict the global response by incorporating the correct local deformation mechanisms.

Davila, Carlos G.↗
NASA NTRS2016

Aerosol Optical Properties Derived from the DRAGON-NE Asia Campaign, and Implications for a Single-Channel Algorithm to Retrieve Aerosol Optical Depth in Spring from Meteorological Imager (MI) On-Board the Communication, Ocean, and Meteorological Satellite (COMS)

An aerosol model optimized for northeast Asia is updated with the inversion data from the Distributed Regional Aerosol Gridded Observation Networks (DRAGON)-northeast (NE) Asia campaign which was conducted during spring from March to May 2012. This updated aerosol model was then applied to a single visible channel algorithm to retrieve aerosol optical depth (AOD) from a Meteorological Imager (MI) on-board the geostationary meteorological satellite, Communication, Ocean, and Meteorological Satellite (COMS). This model plays an important role in retrieving accurate AOD from a single visible channel measurement. For the single-channel retrieval, sensitivity tests showed that perturbations by 4 % (0.926 +/- 0.04) in the assumed single scattering albedo (SSA) can result in the retrieval error in AOD by over 20 %. Since the measured reflectance at the top of the atmosphere depends on both AOD and SSA, the overestimation of assumed SSA in the aerosol model leads to an underestimation of AOD. Based on the AErosol RObotic NETwork (AERONET) inversion data sets obtained over East Asia before 2011, seasonally analyzed aerosol optical properties (AOPs) were categorized by SSAs at 675 nm of 0.92 +/- 0.035 for spring (March, April, and May). After the DRAGON-NE Asia campaign in 2012, the SSA during spring showed a slight increase to 0.93 +/- 0.035. In terms of the volume size distribution, the mode radius of coarse particles was increased from 2.08 +/- 0.40 to 2.14 +/- 0.40. While the original aerosol model consists of volume size distribution and refractive indices obtained before 2011, the new model is constructed by using a total data set after the DRAGON-NE Asia campaign. The large volume of data in high spatial resolution from this intensive campaign can be used to improve the representative aerosol model for East Asia. Accordingly, the new AOD data sets retrieved from a single-channel algorithm, which uses a precalculated look-up table (LUT) with the new aerosol model, show an improved correlation with the measured AOD during the DRAGON-NE Asia campaign. The correlation between the new AOD and AERONET value shows a regression slope of 1.00, while the comparison of the original AOD data retrieved using the original aerosol model shows a slope of 1.08. The change of y-offset is not significant, and the correlation coefficients for the comparisons of the original and new AOD are 0.87 and 0.85, respectively. The tendency of the original aerosol model to overestimate the retrieved AOD is significantly improved by using the SSA values in addition to size distribution and refractive index obtained using the new model.

Kim, M.↗
DOE OSTI2021

A Network-Aware Distributed Energy Resource Aggregation Framework for Flexible, Cost-Optimal, and Resilient Operation

To efficiently use the ubiquitous behind-the-meter distributed energy resources (DERs) in distribution systems for providing grid services, this paper presents a hierarchical control framework for DER optimal aggregation and control. We first develop a convex optimization model to evaluate the DER flexibility, and then use a convex model-predictive-control based approach to dispatch those DERs. The hierarchical control framework consists of a utility controller, community aggregators and multiple home energy management systems. The flexibility of the DERs is evaluated by each controller in the hierarchy such that the resultant flexibility is feasible given its operational domain. Based on the determined flexibility, the hierarchical controllers then compute optimal setpoints for the DERs to help the distribution system regulate node voltages and provide other distribution grid services. Numerical simulations performed on a model of a real distribution feeder in Colorado, using actual DER data in a residential community demonstrate that the proposed approach can effectively alleviate voltage issues and support resilient operation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Cost-optimal selection of pH control for mineral scaling prevention in high recovery reverse osmosis desalination

Conference proceedings for Foundations of Computer Aided Process Design (FOCAPD) 2024 that details a cost optimization model for pH control to prevent mineral scaling in high recovery reverse osmosis. This work applies a framework for incorporating detailed water chemistry predictions such as precipitation, pH change, and mineral scaling tendencies with process-scale optimization. It demonstrates that the acid choice for pH control can have a significant impact on pretreatment costs.

Amusat, Oluwamayowa↗
DOE OSTI2026

Field and Model Data Associated with the Manuscript “Drivers of Streamflow Intermittency in Humid Regions: 1. Evaluating Above- and Below-ground Controls of Flow Persistence in a Forested Catchment”

This package contains field data, modeling files, and scripts supporting the investigation of the drivers of streamflow intermittency in a forested catchment. It includes the field data collected from electrical resistivity tomography (ERT) surveys, ground penetrating radar (GPR), continuous self-potential (SP) monitoring, electromagnetic (EM) imaging, groundwater and stilling well. In addition, it contains the data and results of the coupled water- and electrical-flow model developed using the COMSOL Multiphysics and Advanced Terrestrial Simulator (ATS), as well as software files and Jupyter notebooks used to process the data and generate figures in the manuscript submitted for peer review. The data archive is organized in the following directories: 1) Climate Includes hourly precipitation and daily evapotranspiration time series (2024 – 2025) provided as CSV files, alongside a text file detailing dataset units. 2) Coupled_model Contains two subfolders: Synthetic and Field_Application subfolder. Synthetic subfolder contains the ATS XML input script (can be opened using any code editor) for the four synthetic hydrological cases tested (Connected and gaining, Connected and losing, Disconnected and losing, and dry stream). It also includes other experimental cases to test the influence of precipitation and concentration gradient. For each synthetic case, the flow model simulation is executed using the ATS XML scripts and the included Python script (generate_data_set.py) to convert ATS output to COMSOL-ready input. COMSOL Multiphysics template (.mph can be opened with the commercial software COMSOL and requires a license) is executed using the ATS output data to simulate the potential field. It also includes the Synthetic_model_plot.ipynb (can be opened using any code editor) to visualize the SP result and generate manuscript figures. The data subfolder contains mesh files to run both the ATS (.exo and .stl files can be viewed using Paraview; .h5 files can be opened using HDFView software and h5py Python package) and COMSOL models. Field_Application subfolder contains two subfolders: ES_MDA_inversion and Final_Model. ES_MDA_inversion contains the Python script (.py can be opened using any code editor) and SP observation data used to run the Ensemble Smoother with Multiple Data Assimilation (ES-MDA) inversion sequence to get the optimal model parameters. The Final_model subfolder contains the ATS XML input scripts, data files, output data for the two SP sites. The same workflow steps outlined for the Synthetic subfolder apply here. It also contains the Jupyter notebook (Plot_final_calib.ipynb) to visualize the results of the modeled SP, stream-groundwater exchange and moisture content. 3) Discharge Includes the electrical conductivity (EC) time series (provided as CSV files) from salt slug injections. It also includes the Jupyter notebook (Discharge_process.ipynyb) used to estimate discharge. All discharge measurements collated into rating_curve_processed.csv 4) EM Contains the CSV file of the EM data from the DUALEM-42, including spatial coordinates (x, y, z), apparent conductivity, and in-phase measurements at 2 m coil separations for horizontal coplanar (HCP) and perpendicular (PRP) geometries. 5) ERT Contains raw resistivity data (provided as CSV files), spatial location of each of the electrodes (provided as CSV files), and files used for the resistivity inversion (.resipy can be opened with the open-source ResIPy software). 6) GPR Includes GPR field datasets collected at 100 MHz and 250 MHz antenna frequencies, along with the processing/interpretation project file (GPR_process.gpz can be viewed using EKKO_Project 6, a commercial software by Sensors & Software that requires a license). 7) Slug_test Includes the slug test data at all the groundwater wells provided as CSV files, as well as the Jupyter notebook (Slug_test.ipynb) for calculating hydraulic conductivity. 8) SP Contains the SP data collected in field at the two SP sites (one in the perennial reach and the other in the intermittent reach), provided as DAT files. 9) Well_data Contains two subfolders: 1) Raw, which provides unprocessed pressure, electrical conductivity and temperature timeseries downloaded from the loggers in all the groundwater and stilling wells, and 2) Processed, which contains sorted, QA/QC timeseries data for each well. The data archive also contains data_process.ipynb, a Jupyter notebook used for field data analysis and generating figures (plotting well, SP, climate, and discharge data, as well as calculating head gradient at sites with nested groundwater wells). It also includes DTW.ipynb, a Jupyter notebook containing the code for the dynamic time warping (DTW) with sliding window to evaluate SP signal synchronicity.

ATS↗
DOE OSTI2026

MINLP for regularized symbolic regression with applications to data-driven modeling of critical minerals processes

The poster summarizes recent advances in symbolic regression developed as part of the PrOMMiS project over the past year. In particular, it describes the comparison of surrogates for critical minerals (CM) & rare earth element (REE) recovery flowsheets obtained via symbolic regression and ALAMO. It also compares the predictive ability and solvability of optimization models that incorporate these surrogates.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Laboratory Evaluation of Federated, Hierarchical Controls for Distribution Power System Management: Preprint

The connection of more loads and distributed energy resources (DERs) to the distribution power system brings both challenges and opportunities to system operators. There are opportunities to aggregate flexible loads and DERs to provide transmission grid services, but the coordinated actions of DERs being managed by independent, third-party DER aggregators to support transmission system operations can present challenges. We developed a federated DER management architecture and control framework that aims to manage heterogeneous DERs to deliver reliable transmission grid services while respecting distribution system constraints. The controls include stochastic day-ahead optimization, model predictive control, and a simple real-time management scheme. We present simulation results obtained from a realistic laboratory test bed of federated controls managing DERs within a substation service area to make the substation net power follow the optimal net power determined by the day-ahead optimization based on cost and limiting reverse power flow.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Optimization of energy requirements for CO 2 post-combustion capture process through advanced thermal integration

The energy optimization modeling work described here was performed to determine efficiency improvements that could be achieved for existing coal-fired power plants to retrofit a partial CO 2 capture from the post-combustion flue gas for carbon sequestration through thermal integration. The work presented includes optimization of the mono-ethanol amine (MEA)-based post-combustion CO 2 capture to reduce energy requirements that could be achieved at existing power plants by thermal integration of the steam turbine cycle, boiler, CO 2 compression train and post-combustion CO 2 capture process to offset efficiency and capacity losses that would be incurred by retrofit or implementation of post-combustion CO 2 capture. Furthermore, partial CO 2 capture, involving treatment of less than 100% of the flue gas leaving the plant and modular design of the CO 2 scrubbing system, was also investigated. Thermal integration of the steam turbine cycle with boiler and CO 2 compression train improved cycle and plant performance and offset, in part, the negative effects of post-combustion CO 2 capture. The best-analyzed integration options improved gross power output by 5% and net unit efficiency by 1.57%, relative to the conventional MEA process. Operating with 40% CO 2 capture increased gross power output by 11.6–14% (depending on the MEA thermal integration option), relative to the conventional MEA integration and 90% CO 2 capture. The improvement in net unit performance is larger compared to the improvement in turbine cycle performance because of the CO 2 compression work, which is also reduced by partial CO 2 capture.

42 ENGINEERING↗
DOE OSTI2020

Distributionally robust facility location problem under decision-dependent stochastic demand

While the traditional facility location problem considers exogenous demand, in some applications, locations of facilities could affect the willingness of customers to use certain types of services, e.g., carsharing, and therefore they also affect realizations of random demand. Moreover, a decision maker may not know the exact distribution of such endogenous demand and how it is affected by location choices. In this paper, we consider a distributionally robust facility location problem, in which we interpret the moments of stochastic demand as functions of facility-location decisions. We reformulate a two-stage decision-dependent distributionally robust optimization model as a monolithic formulation, and then derive exact mixed-integer linear programming reformulation as well as valid inequalities when the means and variances of demand are piecewise linear functions of location solutions. We conduct extensive computational studies, in which we compare our model with a decision-dependent deterministic model, as well as stochastic programming and distributionally robust models without the decision-dependent assumption. Here, the results show superior performance of our approach with remarkable improvement in profit and quality of service under various settings, in addition to computational speed-ups given by formulation enhancements. These results draw attention to the need of considering the impact of location decisions on customer demand within this strategic-level planning problem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Optimized Renewable Energy Integration for EV High-Power Dynamic Wireless Charging Systems

Dynamic wireless charging for electric vehicles is an emerging technology to reduce on-board battery size and extend driving range. Due to its unique characteristic of vehicle-speed-related pulse-like load profile, the high-power dynamic wireless charging system (DWCS) introduces high stress to the utility grid. In this paper, an optimization model for renewable energy integration in the DWCS is proposed to mitigate the grid impact and minimize the operation costs of the whole system. As the load profile of DWCS is related to the traffic volume and various approaching vehicle speeds, the annual average daily traffic data and a stochastic model are used to develop 24-hour load profile of DWCS. To find a tradeoff between grid impact mitigation and operation costs minimization, relationships among power demand from power grid, photovoltaic (PV) capacity, wind energy (WE) capacity and energy storage (ES) capacity are analyzed, and the optimization objective and constraints are developed. Numerical simulation results demonstrate that energy storage integration can greatly mitigate the grid impact of DWCS, and optimal ratio of PV and WE can significantly reduce the operation cost of DWCS.

Zeng, Rong↗
DOE OSTI2022

Robust Scheduling of Microgrids Considering Unintentional Islanding Conditions

This paper proposes a robust scheduling model for microgrids considering the stochastic unintentional islanding conditions. The proposed model minimizes the total operating cost of the microgrid by efficiently coordinating the supply of power from local distributed energy resources and the main grid. To capture the prevailing uncertainties in renewable generation and demand as well as unintentional islanding conditions, a two-stage adaptive robust optimization model is formulated to minimize the total operating cost under the worst realization of the modeled uncertainties. The column and constraint generation (C&CG) method is used to solve the problem in an iterative manner. The solution of the proposed scheduling model ensures robust microgrid operation in consideration of all possible realization of renewable generation, demand and unintentional islanding condition. Numerical simulations on a microgrid consisting of a wind turbine, a PV panel, a fuel cell, two micro-turbines, a diesel generator and a battery demonstrate the effectiveness of the proposed approach.

Liu, Guodong↗
NASA NTRS2011

Simultaneous Retrieval of Aerosol and Cloud Properties During the MILAGRO Field Campaign

Estimation of Direct Climate Forcing (DCF) due to aerosols in cloudy areas has historically been a difficult task, mainly because of a lack of appropriate measurements. Recently, passive remote sensing instruments have been developed that have the potential to retrieve both cloud and aerosol properties using polarimetric, multiple view angle, and multi spectral observations, and therefore determine DCF from aerosols above clouds. One such instrument is the Research Scanning Polarimeter (RSP), an airborne prototype of a sensor on the NASA Glory satellite, which unfortunately failed to reach orbit during its launch in March of 2011. In the spring of 2006, the RSP was deployed on an aircraft based in Veracruz, Mexico, as part of the Megacity Initiative: Local and Global Research Observations (MILAGRO) field campaign. On 13 March, the RSP over flew an aerosol layer lofted above a low altitude marine stratocumulus cloud close to shore in the Gulf of Mexico. We investigate the feasibility of retrieving aerosol properties over clouds using these data. Our approach is to first determine cloud droplet size distribution using the angular location of the cloud bow and other features in the polarized reflectance. The selected cloud was then used in a multiple scattering radiative transfer model optimization to determine the aerosol optical properties and fine tune the cloud size distribution. In this scene, we were able to retrieve aerosol optical depth, the fine mode aerosol size distribution parameters and the cloud droplet size distribution parameters to a degree of accuracy required for climate modeling. This required assumptions about the aerosol vertical distribution and the optical properties of the coarse aerosol size mode. A sensitivity study was also performed to place this study in the context of future systematic scanning polarimeter observations, which found that the aerosol complex refractive index can also be observed accurately if the aerosol optical depth is larger than roughly 0.8 at a wavelength of (0.555 m).

Knobelspiesse, K.↗
DOE OSTI2021

Thermodynamics of order and randomness in dopant distributions inferred from atomically resolved imaging

Abstract Exploration of structure-property relationships as a function of dopant concentration is commonly based on mean field theories for solid solutions. However, such theories that work well for semiconductors tend to fail in materials with strong correlations, either in electronic behavior or chemical segregation. In these cases, the details of atomic arrangements are generally not explored and analyzed. The knowledge of the generative physics and chemistry of the material can obviate this problem, since defect configuration libraries as stochastic representation of atomic level structures can be generated, or parameters of mesoscopic thermodynamic models can be derived. To obtain such information for improved predictions, we use data from atomically resolved microscopic images that visualize complex structural correlations within the system and translate them into statistical mechanical models of structure formation. Given the significant uncertainties about the microscopic aspects of the material’s processing history along with the limited number of available images, we combine model optimization techniques with the principles of statistical hypothesis testing. We demonstrate the approach on data from a series of atomically-resolved scanning transmission electron microscopy images of Mo x Re 1- x S 2 at varying ratios of Mo/Re stoichiometries, for which we propose an effective interaction model that is then used to generate atomic configurations and make testable predictions at a range of concentrations and formation temperatures.

25 ENERGY STORAGE↗