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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 OSTI2025

CoCoMET v1.0: a unified open-source toolkit for atmospheric object tracking and analysis

Advances in performance and analysis capabilities have accelerated the development of object tracking algorithms for atmospheric research. This has resulted in a growing number of studies using Lagrangian tracking techniques to analyze the evolution of atmospheric phenomena and the underlying processes. However, the increasing complexity and variety of tracking algorithms present a steep learning curve for new users and make it difficult for existing users to compare algorithm performance. We introduce CoCoMET (Community Cloud Model Evaluation Toolkit), an open-source toolkit that addresses these issues. CoCoMET simplifies the process of running multiple tracking algorithms simultaneously and analyzing objects in both model and observational datasets by specifying parameters in a single configuration file. It standardizes input data from different sources into a consistent format and unifies the tracking output across algorithms. CoCoMET enhances the functionality of existing tracking methods by calculating additional properties such as cell growth and dissipation rates, perimeter, surface area, convexity, and irregularity. In addition, CoCoMET includes a novel method for identifying mergers and splits in 2D and 3D tracks and supports the integration of Eulerian/stationary datasets external to the tracking data for process studies. Its potential utility is demonstrated through examples of model intercomparison, model evaluation against observations, and comparisons between tracking algorithms. Designed for open-source environments, CoCoMET will continue to expand with future releases, incorporating more input data types and tracking algorithms.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2011

Performance Evaluation of Block Acquisition and Tracking Algorithms Using an Open Source GPS Receiver Platform

Location technologies have many applications in wireless communications, military and space missions, etc. US Global Positioning System (GPS) and other existing and emerging Global Navigation Satellite Systems (GNSS) are expected to provide accurate location information to enable such applications. While GNSS systems perform very well in strong signal conditions, their operation in many urban, indoor, and space applications is not robust or even impossible due to weak signals and strong distortions. The search for less costly, faster and more sensitive receivers is still in progress. As the research community addresses more and more complicated phenomena there exists a demand on flexible multimode reference receivers, associated SDKs, and development platforms which may accelerate and facilitate the research. One of such concepts is the software GPS/GNSS receiver (GPS SDR) which permits a facilitated access to algorithmic libraries and a possibility to integrate more advanced algorithms without hardware and essential software updates. The GNU-SDR and GPS-SDR open source receiver platforms are such popular examples. This paper evaluates the performance of recently proposed block-corelator techniques for acquisition and tracking of GPS signals using open source GPS-SDR platform.

Ramachandran, Ganesh K.↗
DOE OSTI2024

Open-Source Data Analysis Tool for Spectral Small-Angle X-ray Scattering Using Spectroscopic Photon-Counting Detector

Spectral small-angle X-ray scattering (sSAXS) is a powerful technique for material characterization from thicker samples by capturing elastic X-ray scattering data in angle- and energy-dispersive modes at small angles. This approach is enabled by the use of a 2D spectroscopic photon-counting detector that provides energy and position information of scattered photons when a sample is irradiated by a polychromatic X-ray beam. Here, we describe an open-source tool with a graphical interface for analyzing sSAXS data obtained from a 2D spectroscopic photon-counting detector with a large number of energy bins. The tool takes system geometry parameters and raw detector data to output 1D scattering patterns and a 2D spatially-resolved scattering map in the energy range of interest. We validated these features using data from samples of caffeine powder with well-known scattering peaks. This open-source tool will facilitate sSAXS data analysis for various material characterization applications.

Chemistry↗
DOE OSTI2024

Review of recent activities with MOOSE, an open-source finite element & finite volume multi-fidelity simulation framework

Modeling and simulation are an increasing part of engineering. This is undoubtedly driven by the high costs of constructing experimental facilities, but also enabled by the exponential increase in computing powers over the last decades, which allows computational models to be closer than ever to reality. One of the main drivers for the development of MOOSE is supporting advanced nuclear reactor simulations. A challenging aspect of modeling advanced nuclear reactors is the plurality of physics involved, including neutronics, thermal hydraulics and fuel performance. These physics are all coupled to some extent and are generally solved in a sequential but iterative fashion. The United States (U.S.) national laboratories have been developing MOOSE, an open source multiphysics framework since its inception at the Idaho National Laboratory (INL) in 2008. This framework enables seamless coupling of multiphysics simulations and facilitates the implementation of new physics and material governing laws. It is continuously expanded with novel numerical methods and new pre-implemented physics module. Numerous applications, developed within the Department of Energy (DOE) laboratories, academia, and industry, including outside of nuclear engineering, have been developed to study specialized physics problems. International collaborations are welcome on this open-source modeling and simulation project.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Laue-DIALS: Open-source software for polychromatic x-ray diffraction data

Most x-ray sources are inherently polychromatic. Polychromatic (“pink”) x-rays provide an efficient way to conduct diffraction experiments as many more photons can be used and large regions of reciprocal space can be probed without sample rotation during exposure—ideal conditions for time-resolved applications. Analysis of such data is complicated, however, causing most x-ray facilities to discard >99% of x-ray photons to obtain monochromatic data. Key challenges in analyzing polychromatic diffraction data include lattice searching, indexing and wavelength assignment, correction of measured intensities for wavelength-dependent effects, and deconvolution of harmonics. We recently described an algorithm, Careless, that can perform harmonic deconvolution and correct measured intensities for variation in wavelength when presented with integrated diffraction intensities and assigned wavelengths. Here, we present Laue-DIALS, an open-source software pipeline that indexes and integrates polychromatic diffraction data. Laue-DIALS is based on the dxtbx toolbox, which supports the DIALS software commonly used to process monochromatic data. As such, Laue-DIALS provides many of the same advantages: an open-source, modular, and extensible architecture, providing a robust basis for future development. We present benchmark results showing that Laue-DIALS, together with Careless, provides a suitable approach to the analysis of polychromatic diffraction data, including for time-resolved applications.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2004

Evaluation of Open-Source Hard Real Time Software Packages

Reliable software is, at times, hard to find. No piece of software can be guaranteed to work in every situation that may arise during its use here at Glenn Research Center or in space. The job of the Software Assurance (SA) group in the Risk Management Office is to rigorously test the software in an effort to ensure it matches the contract specifications. In some cases the SA team also researches new alternatives for selected software packages. This testing and research is an integral part of the department of Safety and Mission Assurance. Real Time operation in reference to a computer system is a particular style of handing the timing and manner with which inputs and outputs are handled. A real time system executes these commands and appropriate processing within a defined timing constraint. Within this definition there are two other classifications of real time systems: hard and soft. A soft real time system is one in which if the particular timing constraints are not rigidly met there will be no critical results. On the other hand, a hard real time system is one in which if the timing constraints are not met the results could be catastrophic. An example of a soft real time system is a DVD decoder. If the particular piece of data from the input is not decoded and displayed to the screen at exactly the correct moment nothing critical will become of it, the user may not even notice it. However, a hard real time system is needed to control the timing of fuel injections or steering on the Space Shuttle; a delay of even a fraction of a second could be catastrophic in such a complex system. The current real time system employed by most NASA projects is Wind River's VxWorks operating system. This is a proprietary operating system that can be configured to work with many of NASA s needs and it provides very accurate and reliable hard real time performance. The down side is that since it is a proprietary operating system it is also costly to implement. The prospect of replacing this somewhat costly implementation is the focus of one of the SA group s current research projects. The explosion of open source software in the last ten years has led to the development of a multitude of software solutions which were once only produced by major corporations. The benefits of these open projects include faster release and bug patching cycles as well as inexpensive if not free software solutions. The main packages for hard real time solutions under Linux are Real Time Application Interface (RTAI) and two varieties of Real Time Linux (RTL), RTLFree and RTLPro. During my time here at NASA I have been testing various hard real time solutions operating as layers on the Linux Operating System. All testing is being run on an Intel SBC 2590 which is a common embedded hardware platform. The test plan was provided to me by the Software Assurance group at the start of my internship and my job has been to test the systems by developing and executing the test cases on the hardware. These tests are constructed so that the Software Assurance group can get hard test data for a comparison between the open source and proprietary implementations of hard real time solutions.

Mattei, Nicholas S.↗
NASA NTRS2016

Utilizing Commercial Hardware and Open Source Computer Vision Software to Perform Motion Capture for Reduced Gravity Flight

Long duration space travel to Mars or to an asteroid will expose astronauts to extended periods of reduced gravity. Since gravity is not present to aid loading, astronauts will use resistive and aerobic exercise regimes for the duration of the space flight to minimize the loss of bone density, muscle mass and aerobic capacity that occurs during exposure to a reduced gravity environment. Unlike the International Space Station (ISS), the area available for an exercise device in the next generation of spacecraft is limited. Therefore, compact resistance exercise device prototypes are being developed. The NASA Digital Astronaut Project (DAP) is supporting the Advanced Exercise Concepts (AEC) Project, Exercise Physiology and Countermeasures (ExPC) project and the National Space Biomedical Research Institute (NSBRI) funded researchers by developing computational models of exercising with these new advanced exercise device concepts. To perform validation of these models and to support the Advanced Exercise Concepts Project, several candidate devices have been flown onboard NASAs Reduced Gravity Aircraft. In terrestrial laboratories, researchers typically have available to them motion capture systems for the measurement of subject kinematics. Onboard the parabolic flight aircraft it is not practical to utilize the traditional motion capture systems due to the large working volume they require and their relatively high replacement cost if damaged. To support measuring kinematics on board parabolic aircraft, a motion capture system is being developed utilizing open source computer vision code with commercial off the shelf (COTS) video camera hardware. While the systems accuracy is lower than lab setups, it provides a means to produce quantitative comparison motion capture kinematic data. Additionally, data such as required exercise volume for small spaces such as the Orion capsule can be determined. METHODS: OpenCV is an open source computer vision library that provides the ability to perform multi-camera 3 dimensional reconstruction. Utilizing OpenCV, via the Python programming language, a set of tools has been developed to perform motion capture in confined spaces using commercial cameras. Four Sony Video Cameras were intrinsically calibrated prior to flight. Intrinsic calibration provides a set of camera specific parameters to remove geometric distortion of the lens and sensor (specific to each individual camera). A set of high contrast markers were placed on the exercising subject (safety also necessitated that they be soft in case they become detached during parabolic flight); small yarn balls were used. Extrinsic calibration, the determination of camera location and orientation parameters, is performed using fixed landmark markers shared by the camera scenes. Additionally a wand calibration, the sweeping of the camera scenes simultaneously, was also performed. Techniques have been developed to perform intrinsic calibration, extrinsic calibration, isolation of the markers in the scene, calculation of marker 2D centroids, and 3D reconstruction from multiple cameras. These methods have been tested in the laboratory side-by-side comparison to a traditional motion capture system and also on a parabolic flight.

Biodynamics↗
NASA NTRSDate not supplied

Open Source Application of Fusing Aerosol Products from GEO and LEO Satellites

Retrieving aerosol optical depths (AODs) from sun-synchronous polar orbiting (aka low earth orbit, LEO) satellites, such as MODISs, and VIIRSs, OMI, TROPOMI, etc, has become well-established as a tool for extracting information on particulate matter (PM) and related processes in the atmosphere. However, with recently launched geostationary satellites (GEO), such as GOES-16/17/18, and Himawari-8/9, and Meteosat Third Generation (MTG) they provide a much higher temporal resolution (order of 10 minutes), typically an image once or more per hour during daylight compared to LEO once per day. By combining these observations, we may be able to characterize the diurnal cycle of global AOD at the local, regional and global scale. While the science community is still exploring the new data from GEO observations, we have been thinking about how to properly combine/merge/fuse those data considering differences in their spatial and temporal resolutions. However, this poses a “Big Data” challenge. The big data challenge is not just about data storage, but also about data discoverability, and accessibility, and even more, about data migration/mirroring in the cloud-computing environment. This paper is merely showing some of the efforts and approaches we have attempted in fusing six satellites’ Level 2 aerosol data (three are from GEO (GOES-16/17 and Himawari-8), and the other three are from LEO (TERRA/MODIS, AQUA/MODIS, SNPP-VIIRS) from Dark Target (DT) aerosol retrieval algorithm. Having the on-demand capability of fusing remote sensing products onto the desired temporal and spatial domain enables researchers and application practitioners to better manipulate and work with satellite and sensor data. It is our hopeWe hope that by making such an open-source package, and the accompanying functionality, the scientific community will be granted easier access to aerosol data processing resources. The MEaSUREs Program (Making Earth System Data Records for Use in Research Environments) expands our understanding of the Earth's current system through atmospheric and surface measurements. In an effort to aid the scientific research component and improve open source methods, this project developed Python code for fusing six satellite Level 2 aerosol data (three are from geostationary satellites (GEO), and the other three are from low earth orbital satellites (LEO)) from Dark Target Aerosol Retrieval Algorithm.

Jennifer Wei↗
DOE OSTI2025

Catalight─An Open-Source Automated Photocatalytic Reactor Package Illustrated through Plasmonic Acetylene Hydrogenation

An open-source and modular Python package, Catalight, is developed and demonstrated to automate (photo)catalysis measurements. (Photo)catalysis experiments require studying several parameters to evaluate performance, including the temperature, gas flow rate and composition, illumination power, and spectral profile. Catalight orchestrates measurements over this complicated parameter space and systematically stores, analyzes, and visualizes the results. To showcase the capabilities of Catalight, we perform an automated apparent activation barrier measurement of acetylene hydrogenation over a plasmonic AuPd catalyst on an Al 2 O 3 support, simultaneously varying laser power, wavelength, and temperature in a multiday experiment controlled by a simple Python script. Our chemical results unexpectedly show an increased activation barrier upon light excitation, contrary to previous findings for other plasmonic reactions and catalysts. We show that the reaction rate order with respect to both acetylene and hydrogen remains unchanged upon illumination, suggesting that molecular surface coverage is not changed by light. By analyzing the inhomogeneity of the laser-induced heating, we attribute these results to a partial photothermal effect combined with a photochemical/hot electron-driven mechanism. In conclusion, our findings highlight the capabilities of a new experiment automation tool; explore the photocatalytic mechanism for an industrially relevant reaction; and identify systematic sources of error in canonical photocatalysis experimental procedures.

Catalysts↗
DOE OSTI2024

T3CO (Transportation Technology Total Cost of Ownership) Open Source [SWR-21-54]

T3CO (Transportation Technology Total Cost of Ownership), is open source software for modeling total cost of ownership for commercial vehicles with advanced powertrains. T3CO is a modeling framework for determining geospatially and temporally optimized total cost of ownership (TCO) for vehicle powertrain technologies. T3CO runs NREL's FASTSim™ software for a representative set of operating conditions to minimize TCO based on vehicle parameters that affect purchase and operating costs (e.g., fuel/electricity consumption, asset depreciation, opportunity costs associated with charging time) while simultaneously ensuring that firm performance constraints (e.g. zero-to-sixty time, gradeability) are satisfied. T3CO will enable the user to control which powertrain parameters are used in optimizing TCO, and these parameters will be modified by a multi-objective optimization (MOO) algorithm to identify a Pareto-optimal solution set. The optimization algorithm will be modular so that users can choose from many different MOO options or insert their own user-defined optimization tool. NREL T3CO Homepage: https://www.nrel.gov/transportation/t3co.html PyPI package: https://pypi.org/project/t3co/

Lustbader, Jason↗
DOE OSTI2025

An Open-Source Framework for Rapid Validation of Scientific ASICs

Spacely is an open-source framework for the post-silicon validation of analog, digital, and mixed-signal ASICs (Application-Specific Integrated Circuits) which maximizes the reuse of hardware and software, reducing the time taken to achieve meaningful test results. Spacely specifically addresses the needs of small, flexible ASIC design teams commonly found in academia or research institutions which benefit most from sharing the overhead of test stand creation between many unique ASIC designs. Spacely is a set of software, firmware, and design practices. It targets two primary hardware platforms (NI-PXI and Caribou) as well as offering extensible support for bench instruments. Spacely provides a high-level Python interface to all test hardware for accessibility, while also giving more sophisticated teams the opportunity to integrate custom test firmware. The design principles of Spacely are presented in brief. Current documentation is available at https://github.com/SpacelyProject/spacely-docs.

Quinn, Adam [Fermilab]↗
DOE OSTI2024

An Open-Source Framework for Rapid Validation of Scientific ASICs

Spacely is an open-source framework for the post-silicon validation of analog, digital, and mixed-signal ASICs (Application-Specific Integrated Circuits) which maximizes the reuse of hardware and software, reducing the time taken to achieve meaningful test results. Spacely specifically addresses the needs of small, flexible ASIC design teams commonly found in academia or research institutions which benefit most from sharing the overhead of test stand creation between many unique ASIC designs. Spacely is a set of software, firmware, and design practices. It targets two primary hardware platforms (NI-PXI and Caribou) as well as offering extensible support for bench instruments. Spacely provides a high-level Python interface to all test hardware for accessibility, while also giving more sophisticated teams the opportunity to integrate custom test firmware. The design principles of Spacely are presented, along with a demonstrative example of using Spacely to test a pixel detector readout ASIC.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2019

Quantitative Comparison of Proprietary and Open-Source Georeferencing Tools for Use with Astronaut Photography

The Crew Earth Observations (CEO) Facility within the Earth Science and Remote Sensing Unit at NASA’s Johnson Space Center supports the acquisition, analysis, and curation of astronaut photography of Earth’s surface and atmosphere. Astronauts on the International Space Station (ISS) respond to requests from CEO to acquire imagery of scientific and education targets, to include high profile targets in response to activations from the International Charter for Space & Major Disasters (also known as the International Disaster Charter, or IDC) and NASA’s Disasters Program. CEO facilitates the acquisition of astronaut photography in response to IDC events and delivers georeferenced data products to the United States Geological Survey (USGS) for distribution to the disaster community. Using GeoRef, an internal web-based tool developed in collaboration with NASA’s Ames Research Center, CEO generates data packages of georeferenced imagery, uncertainty images for assessing control and tie point accuracy, and metadata documenting raw and processed data. Operational experience with the Georef software identified vulnerabilities to internal code and server errors that can significantly increase time of data production. As such, CEO developed a backup procedure in case the GeoRef software experiences front-end or back-end errors. A system using OSGEO’s open-source QGIS software combined with a semi-automated pipeline using the object-oriented Python language and the Geospatial Abstract Library for generating metadata is quantitatively compared to GeoRef’s data package for quality and productivity. Root Mean Square Error (RMSE) provides a standard measurement of data quality as it relates to ground error. Assessing RMSE measurements generated from georeferenced astronaut photographs acquired with different obliquity and focal length offers a comprehensive accuracy assessment of the software’s transformation algorithms. This assessment will indicate the software's ability to produce data products with the least ground-error or highest data quality regarding ground accuracy. In addition, a comparison of the software’s efficiency in generating a data package that includes georeferenced images, metadata, and uncertainty images for measuring tie/ground point error was performed. Initial results, based on the comparison of three nadir-facing astronaut photographs acquired with a 95mm focal length, reveal the QGIS-based system's average RMSE is 2.36 (pixels) suggesting its georectification system produces data products that meet and perhaps improve upon Georef solution's average RMSE of 32.99 (pixels). However, the QGIS system was unable to reproduce two unique Georef data products, uncertainty images for measuring tie and control point errors and a translated unwrapped image. In addition, the Georef software is designed to accept handheld camera pose information from a hardware component (Geosens) scheduled for deployment on the ISS in late 2018; this information is intended to provide increased accuracy and auto-registration capability for astronaut photographs. Future work is expected to determine the QGIS-based georectification system’s potential as an open-source alternative (and operational backup) to Georef for georeferencing the full range of resolutions and viewing angles unique to handheld digital camera imagery in support of ISS disaster response activities.

Jagge, Amy M.↗
NASA NTRSDate not supplied

Open-source Numerical Modeling of Solidification Cracking Susceptibility: Application to Refractory Alloy Systems

Introduction. Alloys such as aluminum, nickel-base, and austenitic stainless steels are susceptible to solidification cracking during welding and 3D printing. Compositional optimization is one method used to effectively mitigate solidification cracking of those alloy systems. With the surge in hypersonic and in-space propulsion activities, refractory metals (Nb, Mo, Ta, W, and Re) and their alloy derivatives are increasing in importance due to their extreme high melting point and retention of high-temperature strength; however, their chemistry was most typically optimized to promote ductility during mechanical operations such as drawing and forming. Welding of such alloys has been a challenge due to a number of issues including solidification cracking, atmospheric contamination (O, C, and N), as well as a shift in ductile-to-brittle transition to higher temperature following grain growth induced by welding. Compositional optimization of refractory alloys for solidification cracking resistance in particular is desirable as their usage increases with the advent of advanced manufacturing methods such as 3D printing. This work evaluates the effect of compositional variation in refractory metal systems on the solidification cracking susceptibility with the goals of optimizing existing alloys and joining process techniques, and formulating new alloys with increased solidification cracking resistance. Experimental Procedures. A python code was developed in a Jupyter notebook environment (Michael and Sowards, 2023) to facilitate the calculation of crack susceptibility index proposed by Kou (2015). Composition is entered as a single point, or as a 1-D or 2-D array. The notebook calls pycalphad (Otis and Liu, 2017 and Bocklund et al, 2020) to calculate the evolution of fraction solid as a function of temperature (under either Scheil or equilibrium assumptions) and then evaluates steepness of the fraction solid curve near the terminal stage of solidification to predict solidification cracking resistance. Open source thermodynamic databases available at online repositories are used (van de Walle). The process is setup in an automated fashion to generate plots that show variation in solidification cracking susceptibility according to composition on 1-D line plots or 2-D contour plots. The Jupyter notebook and crack susceptibility algorithm was also integrated with a widely used commercial CALPHAD code for validation and alloy exploration. Results and Discussion. The crack susceptibility model was first validated against a series of refractory alloy compositions evaluated in past work which utilized a specialized Varestraint test built inside a vacuum chamber environment (Lessman and Gold, 1971). The alloys tested in the Varestraint apparatus included T-111 (Ta-8W-2Hf), ASTAR-811C (Ta-8W-1Re-0.7Hf-0.025C), FS-85 (Nb-27Ta-10W-1Zr), T-222 (Ta-9.6W-2.4Hf-0.01C), Ta-10W, B-66 (Nb-5Mo-5V-1Zr), and SCb-291 (Nb-10W-10Ta). The initial test of the model showed a strong correlation with empirical Varestraint data, i.e., a Spearman rank correlation between model predictions and hot cracking measurements was observed to be greater than 0.8. Following the validation, a set of refractory metal binary mixtures was investigated to evaluate sensitivity of Nb, Mo, W, and Ta to C, N, and O content. A series of plots were produced that suggest ppmw ranges of C, N, and O where solidification cracking increases significantly and reaches a maximum. Also comparative ranking of each primary refractory metal to each interstitial was produced. For example C produces greater cracking response in Mo whereas O produces greater cracking response in Ta and Nb. Such compositional values have utility in setting limits on pickup of these interstitial elements during welding and printing rather than using a one-size-fits-all approach. Furthermore, the results have use in determining additive powder recycling requirements, which is especially pertinent for refractory metal powders due to their high cost compared to conventional alloys. Another application created thousands of hypothetical alloys within the nominal specified composition range of two widely used refractory alloys C103 (Nb-10Hf-1Ti) and TZM (Mo-0.5Ti-0.1Zr). The cracking index was calculated for the alloys and results were fed into machine learning regression techniques including Multiple Linear Regression, Ridge Regression, and Lasso Regression to determine relative potency each alloying element had on computed solidification cracking index. A series of linear equations were produced that relate composition of C103 and TZM to solidification cracking index. The crack susceptibility of C103 for example is described by an equation of the form: cracking index ~ O + 0.667*C + 0.635*N + 0.00037*Ta – 0.0008*Hf (in wt.%) From that equation, it is clear that O has strong propensity to induce solidification cracking. Interestingly, Hf is shown to reduce calculated cracking response. Finally, realizing the potential of this method to discover new refractory alloy formulations across the period table that have low solidification cracking sensitivity, the code was applied to new untested alloy systems including W-Zr-C, W-Ta-C, and others. Conclusions. In summary, an open source numerical method has been developed using Python code to calculate Kou’s crack susceptibility index. The method was applied to refractory metals which are inherently difficult to study from a weldability testing standpoint since inert shielding gas is not sufficient and welding is typically done in vacuum, especially in light of findings presented here where oxygen has profound influence on solidification cracking. This work revealed the effect of compositional variations on a series of refractory metals and showed the framework defined here will be useful in 1) the development of new alloys that have improved weldability and 3D printability, 2) placing compositional limits on existing alloys, and 3) ensuring adequate controls of manufacturing processes such as 3D printing where powder reuse is critical. Keywords. pycalphad; Python; refractory metals; solidification cracking. References. B. Bocklund et. al. (2020) http://doi.org/10.5281/zenodo.3630657. S. Kou. (2015) https://doi.org/10.1016/j.actamat.2015.01.034. G.G. Lessmann and R.E. Gold. Welding Journal, issue 1, pp. 1-s – 8-s (1971). F.N. Michael and J.W. Sowards. NASA/TM-20230002218 (2023). R. Otis and Z.-K. Liu. (2017) http://doi.org/10.5334/jors.140. A. Van de Wallle et. al. (2018) https://doi.org/10.1016/j.calphad.2018.04.003.

pycalphad↗
DOE OSTI2024

MITgcm-AD v2: Open source tangent linear and adjoint modeling framework for the oceans and atmosphere enabled by the Automatic Differentiation tool Tapenade

The Massachusetts Institute of Technology General Circulation Model (MITgcm) is widely used by the climate science community to simulate planetary atmosphere and ocean circulations. A defining feature of the MITgcm is that it has been developed to be compatible with an algorithmic differentiation (AD) tool, TAF, enabling the generation of tangent-linear and adjoint models. These provide gradient information which enables dynamics-based sensitivity and attribution studies, state and parameter estimation, and rigorous uncertainty quantification. Importantly, gradient information is essential for computing comprehensive sensitivities and performing efficient large-scale data assimilation, ensuring that observations collected from satellites and in-situ measuring instruments can be effectively used to optimize a large uncertain control space. As a result, the MITgcm forms the dynamical core of a key data assimilation product employed by the physical oceanography research community: Estimating the Circulation and Climate of the Ocean (ECCO) state estimate. Although MITgcm and ECCO are used extensively within the research community, the AD tool TAF is proprietary and hence inaccessible to a large proportion of these users. The new version 2 (MITgcm-AD v2) framework introduced here is based on the source-to-source AD tool Tapenade, which has recently been open-sourced. Another feature of Tapenade is that it stores required variables by default (instead of recomputing them) which simplifies the implementation of efficient, AD-compatible code. The framework has been integrated with the MITgcm model’s main branch and is now freely available.

Adjoints↗
DOE OSTI2026

NREL OpenPATH: An Open-Source, Extensible Platform for Instrumenting Travel Behavior Data

NREL OpenPATH is an open-source, extensible platform that allows communities to instrument their own travel behavior data. The platform consists of a smartphone app, server and analysis pipeline, and enables collection of opt-in, multi-modal, end-to-end travel diaries. It makes the aggregate statistics available via a public dashboard, and allows deployers to download and visualize trip and trajectory data through the admin dashboard. It also allows for customization of the initial demographic survey and the trip-level qualitative information collected. Our goal is to provide an easy-to-use tool that can democratize travel behavior data collection by empower communities of all sizes to recruit participants and obtain a holistic picture of their travel patterns. The platform has been used by close to 40 partners, to collect data from thousands of participants. Upon signing a simple MOU, it is currently available for free to universities, non-profits and public agencies in the United States.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗