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Open Science Practices at the Community Coordinated Modeling Center

Open Science is defined as “the principle and practice of making research products and processes available to all, while respecting diverse cultures, maintaining security and privacy, and fostering collaborations, reproducibility, and equity” by Federal Agencies. The CCMC has been practicing open science based on FAIR (Findable, Accessible, Interoperable and Reusable) principle by providing access to the state-of -the art space science and space weather models to users around the world through various simulation services such as Runs-on-Request, Instant Runs, Real time runs on iSWA system. The CCMC also provides a wide range of tools and framework to help users easily utilize modeled data. One of the tools is the official NASA open-sourced software called Kamodo. Kamodo allows users to work with complex space weather models and data with little or no coding experience. Additionally, to support transparent model validation efforts, the CCMC is providing an integrated and flexible framework called CAMEL. CAMEL allows users to seamlessly compare model outputs with observational data sets. Currently, we are working on a user-friendly database of the papers and research that used CCMC services, so that the future users will have open access to previously performed research by other users and its details. In this presentation, we will show the open tools and resources provided by the CCMC. Furthermore, we will share our new efforts to support open data and open science results.

Ja Soon Shim↗

CFD Validation Experiment of a Mach 2.5 Axisymmetric Shock-Wave/Boundary-Layer Interaction

Experimental investigations of specific flow phenomena, e.g., Shock Wave Boundary-Layer Interactions (SWBLI), provide great insight to the flow behavior but often lack the necessary details to be useful as CFD validation experiments. Reasons include: 1.Undefined boundary conditions Inconsistent results 2.Undocumented 3D effects (CL only measurements) 3.Lack of uncertainty analysis While there are a number of good subsonic experimental investigations that are sufficiently documented to be considered test cases for CFD and turbulence model validation, the number of supersonic and hypersonic cases is much less. This was highlighted by Settles and Dodsons [1] comprehensive review of available supersonic and hypersonic experimental studies. In all, several hundred studies were considered for their database.Of these, over a hundred were subjected to rigorous acceptance criteria. Based on their criteria, only 19 (12 supersonic, 7 hypersonic) were considered of sufficient quality to be used for validation purposes. Aeschliman and Oberkampf [2] recognized the need to develop a specific methodology for experimental studies intended specifically for validation purposes.

Turbulence Modeling↗

Data and script associated with “Shifts in Rain-Snow Partitioning Drive Faster Water Transit Times in the US Pacific Northwest”

This data package contains the data and code to use and run the Water Tracer enabled version of the Weather Research and Forecasting Hydrologic model (WT-WRF-Hydro) with the Sequential Precipitation Input Tagging (SPIT) framework. It is associated with the publication “Shifts in Rain-Snow Partitioning Drive Faster Water Transit Times in the US Pacific Northwest” published in Scientific Reports (Butler et al., 2026; https://doi.org/10.1038/s41598-026-46539-1). We use the Continental U.S. (CONUSII; Rasmussen et al., 2021) dataset to force the model with an historical climate (2006–2013) and a future climate (2086–2093) with a representative carbon pathway (RCP) 8.5 scenario. We use the model to calculate water transit times in five headwater catchments within the U.S. Pacific Northwest. We also show key hydrologic and environmental variables that affect water transit times and changes in the future. Finally, we use observed data to validate the model such as stream water isotopes, snowpack characteristics, and stream discharge. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions. The data package consists of 11 folders: (1) "Figures" contains the exported figures used in the manuscript; (2) "Model_Isotope_Date" contains the WT-WRF-Hydro isotope date used in model validation; (3) “Model_Outputs_Future” contains the WT-WRF-Hydro future climate outputs; (4) “Model_Outputs_Historical” contains the WT-WRF-Hydro historical climate outputs; (5) “Model_Outputs_Weights_Areas” contains the WT-WRF-Hydro weights per catchment used to calculate water transit times and isotopes in stream water; (6) “MODIS_data_scripts” contains data used to validate snow conditions in the study area; (7) “Observed_Flow_Data” contains the observed streamflow data used in model validation; (8) “Observed_Isotope_Data” contains the observed stream water isotope data used in model validation; (9) “Scripts” contains the Python scripts used to general results and the figures; (10) “Statistic_Outputs” contains the water transit time statistical outputs reported in this manuscript; (11) “Validation_SNOTEL” contains the SNOTEL data used in model validation. The files in this data package have the following file extensions: .tif, .txt, .csv, .pdf, .py, .jpg, and .png.

American River↗

Interpretation of Lidar and Satellite Data Sets Using a Global Photochemical Model

A primary goal of the NASA Tropospheric Chemistry Program (TCP) is to "contribute substantially to scientific understanding of human impacts on the global troposphere". In order to analyze global or regional trends and factors of the troposphere chemistry, for example, its oxidation capacity or composition, a continuous global/regional data coverage as well as model simulations are needed. The Global Tropospheric Experiment (GTE), a major component of the TCP, provides data vital to these questions via aircraft measurement of key trace chemical species in various remote regions of the world. Another component in NASA's effort are satellite projects for exploration of tropospheric chemistry and dynamics. A unique data product is the Tropospheric Ozone Residual (TOR) utilizing global tropospheric ozone data. Another key research tool are simulation studies of atmospheric chemistry and dynamics for the theoretical understanding of the atmosphere, the extrapolation of observed trends, and for sensitivity studies assessing a changing anthropogenic impact to air chemistry and climate. In the context with model simulations, field data derived from satellites or (airborne) field missions are needed for two purposes: 1. To initialize and validate model simulations, and 2., to interpret field data by comparison to model simulation results in order to analyze global or regional trends and deviations from standard tropospheric chemistry and transport conditions as defined by the simulations. Currently, there is neither a sufficient global data coverage available nor are existing well established global circulation models. The NASA LARC CTM model is currently not yet in a state to accomplish a sufficient tropospheric chemistry simulation, so that the current research under this cooperative agreement focuses on utilizing field data products for direct interpretation. They will be also available for model testing and a later interpretation with a finally utilized model.

Zenker, Thomas↗

NASA Hybrid Reflectometer Project

Time-domain and frequency-domain reflectometry have been used for about forty years to locate opens and shorts in cables. Interpretation of reflectometry data is as much art as science. Is there information in the data that is being missed? Can the reflectometers be improved to allow us to detect and locate defects in cables that are not outright shorts or opens? The Hybrid Reflectometer Project was begun this year at NASA Ames Research Center, initially to model wire physics, simulating time-domain reflectometry (TDR) signals in those models and validating the models against actual TDR data taken on testbed cables. Theoretical models of reflectometry in wires will give us an understanding of the merits and limits of these techniques and will guide the application of a proposed hybrid reflectometer with the aim of enhancing reflectometer sensitivity to the point that wire defects can be detected. We will point out efforts by some other researchers to apply wire physics models to the problem of defect detection in wires and we will describe our own initial efforts to create wire physics models and report on testbed validation of the TDR simulations.

Lynch, Dana↗

Piezoelectric Actuator Modeling Using MSC/NASTRAN and MATLAB

This paper presents a procedure for modeling structures containing piezoelectric actuators using MSCMASTRAN and MATLAB. The paper describes the utility and functionality of one set of validated modeling tools. The tools described herein use MSCMASTRAN to model the structure with piezoelectric actuators and a thermally induced strain to model straining of the actuators due to an applied voltage field. MATLAB scripts are used to assemble the dynamic equations and to generate frequency response functions. The application of these tools is discussed using a cantilever aluminum beam with a surface mounted piezoelectric actuator as a sample problem. Software in the form of MSCINASTRAN DMAP input commands, MATLAB scripts, and a step-by-step procedure to solve the example problem are provided. Analysis results are generated in terms of frequency response functions from deflection and strain data as a function of input voltage to the actuator.

Reaves, Mercedes C.↗

Thermocouple Temperature Measurements in Selective Laser Melting Additive Manufacturing

The extreme thermal history resulting from selective laser melting leads to microstructural characteristics and residual stresses that have considerable impact on the mechanical behavior of the printed part. Accurate measurements of the temperature combined with thermal models are needed to better understand and control the thermal history to optimize mechanical properties. In order to calibrate and validate models, experimental temperature data must be accurately measured in a rapid fashion due to the high speeds of the laser. In this work, a novel method to read data from thermocouples is created with enhanced circuitry that achieves a sampling rate of 10 kHz. This data acquisition rate allows for high precision sampling of SLM heating and cooling cycles.

additive manufacturing↗

Microstructure Modeling of 3rd Generation Disk Alloys

The objective of this program is to model, validate, and predict the precipitation microstructure evolution, using PrecipiCalc (QuesTek Innovations LLC) software, for 3rd generation Ni-based gas turbine disc superalloys during processing and service, with a set of logical and consistent experiments and characterizations. Furthermore, within this program, the originally research-oriented microstructure simulation tool will be further improved and implemented to be a useful and user-friendly engineering tool. In this report, the key accomplishment achieved during the second year (2008) of the program is summarized. The activities of this year include final selection of multicomponent thermodynamics and mobility databases, precipitate surface energy determination from nucleation experiment, multiscale comparison of predicted versus measured intragrain precipitation microstructure in quench samples showing good agreement, isothermal coarsening experiment and interaction of grain boundary and intergrain precipitates, primary microstructure of subsolvus treatment, and finally the software implementation plan for the third year of the project. In the following year, the calibrated models and simulation tools will be validated against an independently developed experimental data set, with actual disc heat treatment process conditions. Furthermore, software integration and implementation will be developed to provide material engineers valuable information in order to optimize the processing of the 3rd generation gas turbine disc alloys.

Jou, Herng-Jeng↗

Tunable Atomic Layer Deposition into Ultra-High-Aspect-Ratio (>60000:1) Aerogel Monoliths Enabled by Transport Modeling

Atomic layer deposition (ALD) modification of ultra-high-aspect-ratio structures (>10,000:1) is a powerful platform with applications in catalysis, filtration, and energy conversion. However, the deposition of conformal and tunable ALD coatings at these aspect ratios remains challenging, resulting in empirical tradeoffs between precursor utilization and reaction time. Here, we demonstrate tunable control of the ALD infiltration depth into an aerogel monolith (AM) and develop a reaction-diffusion model to accurately describe the coating process. Specifically, we investigate the ALD exposure time and precursor dose needed to conformally coat a silica AM with pore sizes of ~20 nm, a monolith thickness of ~2.5 mm, and aspect ratios exceeding 60,000:1. We demonstrate complete infiltration into the AM, which is quantified by elemental mapping. A reaction-diffusion model is developed, which accounts for multiple doses and precursor depletion in the ALD chamber during an exposure step. The experimentally validated model enables the prediction and tuning of infiltration depth into a tortuous, high-aspect-ratio structure such as an AM, allowing for the synthesis of rationally designed material architectures. Additionally, the model allows for co-optimization of the total deposition time and percentage of unreacted precursor, which are important for the manufacturability and sustainability of ALD processing. Lastly, we demonstrate that ultra-thin ALD Al 2 O 3 coatings can be used to stabilize silica AMs against structural degradation under high-temperature annealing conditions (700-800 °C), by limiting changes in surface area and monolith volume. As a result, this improved high-temperature stability has implications for numerous aerogel applications, including catalysis and thermal insulation.

14 SOLAR ENERGY↗

Computational and Experimental Mechanistic Insights into the Ethanol-to-Butanol Upgrading Reaction over MgO

The mechanism of ethanol upgrading to higher products is still under debate, especially regarding intermediate species and hydrogenation and dehydrogenation steps. In this work, we conducted a combined theoretical and experimental approach to contribute to this discussion. For such, detailed electronic structure density functional theory calculations (aiming at probing density of states, infrared spectra, geometric parameters, charge densities, and reaction energetics) and diffuse reflectance infrared Fourier transform spectroscopy experiments were carried out revealing the relevance of an appropriate combination of reactive surface sites to support the formation of several intermediates that are formed in the C-C coupling over MgO. The roles of Mg and O sites were also studied under an electronic perspective and different geometrical arrangements. We found that a kink configuration was the most adequate for ethanol to 1-butanol upgrading. Our calculations also gave us arguments to propose distinct reaction routes, whose mutual predominance would depend upon reaction temperature. At temperatures up to 573 K, the so-called β-route, which goes through scission of a Cβ-H bond and formation of an oxametallacycle-like intermediate, would dominate the coupling, whereas at higher temperatures, up to 673 K, a more usual Guerbet mechanism, via an aldol coupling step and then consecutive hydrogenations, would be expected. Here, the theoretical conclusions were followed by a careful experimental strategy using sequential experimental planning techniques in order to estimate accurate parameters with the lowest possible experimental load. Information from these different sources were coupled to develop a mathematical model for the rate of the ethanol upgrading reaction, using a Langmuir-Hinshelwood-Hougen-Watson approach. The developed and statistically validated model adequately described the experimental data at 673 K and 1.1 bar total pressure for ethanol partial pressures in the range from 0 to 20 kPa.

09 BIOMASS FUELS↗

Development of a platform for experimental and computational studies of magnetic and radiative effects on astrophysically relevant jets at OMEGA

Accurate modeling of astrophysical jets is critical for understanding accretion systems and their impact on the interstellar medium. While astronomical observations can validate models, they have limitations. Controlled laboratory experiments offer a complementary approach for qualitative and quantitative demonstration. Laser experiments offer a complementary approach. This article introduces a new platform on the OMEGA laser facility for high-velocity (1500 kms−1), high-aspect-ratio (∼36) jet creation with strong cylindrical symmetry. This platform's capabilities bridge observational gaps, enabling controlled initial conditions and direct measurements of plasma characteristics, crucial for refining astrophysical jet dynamics and improving the models accuracy.

Rigon, G. (ORCID:0000000256664725)↗

FLASC (FLORIS-based Analysis for SCADA data)

FLASC provides a rich suite of analysis tools for SCADA data filtering & analysis, wind farm model validation, field experiment design, and field experiment monitoring. The repository is centrally built around NRELs in-house floris wind farm model, available at https://github.com/nrel/floris. FLASC also largely relies on the energy ratio to, among others, quantify wake losses in synthetic and historical data, to perform turbine northing calibrations, and for model parameter estimation.

Fleming, Paul↗

Development of a framework for sequential Bayesian design of experiments: Application to a pilot-scale solvent-based CO 2 capture process

In this paper, a methodology is developed for sequential design of experiments (SDoE) for process systems and applied to a solvent-based CO 2 capture system. In this approach, the prior knowledge of the system is used to prioritize process data collection at specific operating conditions. These data are then incorporated into a Bayesian inference methodology for updating a stochastic model by refining estimations of its underlying parameters, and the updated model is then used to generate the next set of test runs. Thus, the new knowledge obtained from the data is used to guide subsequent iterations of the experimental runs, ensuring that the overall data collection is maximally informative given that most experimental campaigns, especially at pilot or higher-scale plants, are costly, time-consuming, and resource-limited. The test run objective for this work was to minimize the maximum model prediction uncertainty for key output variables, but the methodology is generic and can be readily applied to other test run objectives. This methodology is applied to an aqueous monoethanolamine (MEA) pilot plant campaign at the National Carbon Capture Center (NCCC) in Wilsonville, Alabama, USA. The SDoE framework was utilized for two iterations, while collecting 18 sets of data representing different process conditions, and this resulted in an overall average reduction in uncertainty of approximately 50% in the prediction of CO 2 capture percentage. Moreover, 11 additional data sets were obtained with variation of absorber packing height for further model validation. This work shows the capability of the SDoE framework to maximize learning given limited resources, allowing for the reduction of model uncertainty, which is of great importance for many applications including reduction of technical risk associated with scale-up and economic analysis.

20 FOSSIL-FUELED POWER PLANTS↗

Modeling of streamflow in a 30 km long reach spanning 5 years using OpenFOAM 5.x

Abstract. Developing accurate and efficient modeling techniques for streamflow at the tens-of-kilometers spatial scale and multi-year temporal scale is critical for evaluating and predicting the impact of climate- and human-induced discharge variations on river hydrodynamics. However, achieving such a goal is challenging because of limited surveys of streambed hydraulic roughness, uncertain boundary condition specifications, and high computational costs. We demonstrate that accurate and efficient three-dimensional (3-D) hydrodynamic modeling of natural rivers at 30 km and 5-year scales is feasible using the following three techniques within OpenFOAM, an open-source computational fluid dynamics platform: (1) generating a distributed hydraulic roughness field for the streambed by integrating water-stage observation data, a rough wall theory, and a local roughness optimization and adjustment strategy; (2) prescribing the boundary condition for the inflow and outflow by integrating precomputed results of a one-dimensional (1-D) hydraulic model with the 3-D model; and (3) reducing computational time using multiple parallel runs constrained by 1-D inflow and outflow boundary conditions. Streamflow modeling for a 30 km long reach in the Columbia River (CR) over 58 months can be achieved in less than 6 d using 1.1 million CPU hours. The mean error between the modeled and the observed water stages for our simulated CR reach ranges from −16 to 9 cm (equivalent to approximately ±7 % relative to the average water depth) at seven locations during most of the years between 2011 and 2019. We can reproduce the velocity distribution measured by the acoustic Doppler current profiler (ADCP). The correlation coefficients of the depth-averaged velocity between the model and ADCP measurements are in the range between 0.71 and 0.83 at 75 % of the survey cross sections. With the validated model, we further show that the relative importance of dynamic pressure versus hydrostatic pressure varies with discharge variations and topography heterogeneity. Given the model's high accuracy and computational efficiency, the model framework provides a generic approach to evaluate and predict the impacts of climate- and human-induced discharge variations on river hydrodynamics at tens-of-kilometers and decadal scales.

58 GEOSCIENCES↗

X-29A longitudinal and directional force and moment supplemental transonic wind tunnel test results

Aerodynamic data from NASA Ames Research Center's 11-Foot Transonic Wind Tunnel are plotted for the 1/8-scale X-29A forward-swept wing aircraft model. Eleven configurations were tested to provide supplemental data to investigate single surface failure modes, complex nonlinearities, and model buildup. These data can be used for control system refinements, pilot training, flight planning, and aerodynamic model validation. Data are presented as corrected wind tunnel data without analysis to document results that are being used for the aerodynamic model.

Bowers, A. H.↗

Flood Hazard Assessment from Storm Tides, Rain and Sea Level Rise for a Tidal River Estuary

Cities and towns along the tidal Hudson River are highly vulnerable to flooding through the combination of storm tides and high streamflows, compounded by sea level rise. Here a three-dimensional hydrodynamic model, validated by comparing peak water levels for 76 historical storms, is applied in a probabilistic flood hazard assessment. In simulations, the model merges streamflows and storm tides from tropical cyclones (TCs), offshore extratropical cyclones (ETCs) and inland "wet extratropical" cyclones (WETCs). The climatology of possible ETC and WETC storm events is represented by historical events (1931-2013), and simulations include gauged streamflows and inferred ungauged streamflows (based on watershed area) for the Hudson River and its tributaries. The TC climatology is created using a stochastic statistical model to represent a wider range of storms than is contained in the historical record. TC streamflow hydrographs are simulated for tributaries spaced along the Hudson, modeled as a function of TC attributes (storm track, sea surface temperature, maximum wind speed) using a statistical Bayesian approach. Results show WETCs are important to flood risk in the upper tidal river (e.g., Albany, New York), ETCs are important in the estuary (e.g., New York City) and lower tidal river, and TCs are important at all locations due to their potential for both high surge and extreme rainfall. The raising of floods by sea level rise is shown to be reduced by approximately 30-60 percent at Albany due to the dominance of streamflow for flood risk. This can be explained with simple channel flow dynamics, in which increased depth throughout the river reduces frictional resistance, thereby reducing the water level slope and the upriver water level.

Tidal river↗

Enhancing Power Grid Resilience with Causal Loops Diagram and Bayesian Networks

Enhancing power grid resilience through improved analysis and planning of Distributed Energy Resources is a key for power system planner. This paper explores the integration of Causal Loop Diagrams (CLDs) and Bayesian Networks (BNs) for enhancing resilience in power systems, focusing on Distributed Energy Resources (DER) planning. By automating CLD analysis in Python's matplotlib, we present a tool for rapid model validation and structural accuracy, crucial for power system planners. This hybrid approach utilizes BNs for inferential depth and CLDs for dynamic system modeling, offering a comprehensive framework for policy formulation and collaborative strategy development against disruptions. Here, we highlight the tool's capability to identify and analyze interconnected feedback loops, facilitating a deeper understanding of DER integration's impact on network resilience. This work aims to bridge quantitative analysis and qualitative insights, addressing the limitations of each method while providing a robust model for power system resilience assessment.

14 SOLAR ENERGY↗

Automated quantification of mitral valve regurgitation based on normalized centerline velocity distribution

Previous echocardiographic techniques for quantifying valvular regurgitation are limited by factors including uncertainties for orifice location and a hemispheric convergence assumption that often results in over- and underestimation of flow rate and regurgitant orifice area. Using computational fluid dynamics simulations, these factors were eliminated, allowing a more accurate assessment of regurgitation. A model was developed to allow automated quantification of regurgitant orifice diameter based on the centerline velocity data available from color M-mode echocardiography. The model, validated using in vitro unsteady flow data, demonstrated improved accuracy for orifice diameter (y=0.95x + 0.38, r=0.96) and volume (y=1.18x - 4.72, r=0.93).

NASA Program Biomedical Research and Countermeasur↗