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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2

Hydrologic Nuclide Transport Models in Cyder, A Geologic Disposal Software Library - 13328

Component level and system level abstraction of detailed computational geologic repository models have resulted in four rapid computational models of hydrologic radionuclide transport at varying levels of detail. Those models are described, as is their implementation in Cyder, a software library of interchangeable radionuclide transport models appropriate for representing natural and engineered barrier components of generic geology repository concepts. A proof of principle demonstration was also conducted in which these models were used to represent the natural and engineered barrier components of a repository concept in a reducing, homogenous, generic geology. This base case demonstrates integration of the Cyder open source library with the Cyclus computational fuel cycle systems analysis platform to facilitate calculation of repository performance metrics with respect to fuel cycle choices. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

VEDA Visualization Exploration & Data Analysis

Why? - Interdisciplinary science depends on large amount of Earth science data and computational resources - Working with these datasets is non-trivial - Big data science requires advanced distributed computing knowledge What? VEDA is an open platform that brings key Earth science datasets next to open source tools for data processing, analysis, visualization, and exploration in a managed and more accessible computing environment.

Manil Maskey↗

BEAST: Expanding Sustainable Data Infrastructure for High-Enthalpy Facilities

Reproducible, data-driven thermal protection system (TPS) research requires that experimental records from high-enthalpy testing be consistently structured, traceable, and accessible across campaigns and institutions. In practice, however, arcjet and plasma facilities data remain largely fragmented: raw diagnostics are stored in ad hoc formats, material sample histories are disconnected from test conditions, and metadata standards are absent, precluding systematic cross-campaign analysis and long-term reuse. BEAST (Backend for Experiment Analysis, Storage, and Traceability) is an open-source, web-based platform that addresses these limitations by providing a unified, queryable infrastructure for high-enthalpy ground-test data [1]. First presented at the 15th Ablation Workshop [2], BEAST has since undergone significant development. The platform ingests and structures multi-channel time-series diagnostics, facility configurations, and material property records within a common provenance model, ensuring end-to-end traceability from raw sensor acquisition to reduced experimental quantities. A versioned material library links specimen identity and processing history to the specific runs in which each sample was tested. An integrated modeling workbench enables training and evaluation of regression models directly on archived experimental data, supporting condition interpolation and the construction of empirical material response databases. Beyond its original deployment at NASA Ames Research Center, BEAST has been designed to be facility-agnostic, with ongoing efforts to extend its adoption to other facilities. Its modular architecture accommodates heterogeneous diagnostic setups and facility types, and its future open-source distribution allows institutions to build on a common data standard rather than maintaining isolated, bespoke solutions. BEAST is further integrated within a broader ecosystem of companion tools: arcjetCV [3] extracts recession rates and shock standoff distances from high-speed video using computer vision, and miniSTARscan [4] provides sub-minute, portable photogrammetric surface reconstruction of test articles before and after exposure. All tools share a common data schema, enabling seamless ingestion of surface geometry, imagery, and time-series data into a single, coherent experimental record.

Database↗

BEAST: Expanding Sustainable Data Infrastructure for High-Enthalpy Facilities

Reproducible, data-driven thermal protection system (TPS) research requires that experimental records from high-enthalpy testing be consistently structured, traceable, and accessible across campaigns and institutions. In practice, however, arcjet and plasma facilities data remain largely fragmented: raw diagnostics are stored in ad hoc formats, material sample histories are disconnected from test conditions, and metadata standards are absent, precluding systematic cross-campaign analysis and long-term reuse. BEAST (Backend for Experiment Analysis, Storage, and Traceability) is an open-source, web-based platform that addresses these limitations by providing a unified, queryable infrastructure for high-enthalpy ground-test data [1]. First presented at the 15th Ablation Workshop [2], BEAST has since undergone significant development. The platform ingests and structures multi-channel time-series diagnostics, facility configurations, and material property records within a common provenance model, ensuring end-to-end traceability from raw sensor acquisition to reduced experimental quantities. A versioned material library links specimen identity and processing history to the specific runs in which each sample was tested. An integrated modeling workbench enables training and evaluation of regression models directly on archived experimental data, supporting condition interpolation and the construction of empirical material response databases. Beyond its original deployment at NASA Ames Research Center, BEAST has been designed to be facility-agnostic, with ongoing efforts to extend its adoption to other facilities. Its modular architecture accommodates heterogeneous diagnostic setups and facility types, and its future open-source distribution allows institutions to build on a common data standard rather than maintaining isolated, bespoke solutions. BEAST is further integrated within a broader ecosystem of companion tools: arcjetCV [3] extracts recession rates and shock standoff distances from high-speed video using computer vision, and miniSTARscan [4] provides sub-minute, portable photogrammetric surface reconstruction of test articles before and after exposure. All tools share a common data schema, enabling seamless ingestion of surface geometry, imagery, and time-series data into a single, coherent experimental record.

Database↗

Akuna - Integrated Toolsets Supporting Advanced Subsurface Flow and Transport Simulations for Environmental Management

A next generation open source subsurface simulator and user environment for environmental management is being developed through a collaborative effort across Department of Energy National Laboratories. The flow and transport simulator, Amanzi, will be capable of modeling complex subsurface environments and processes using both unstructured and adaptive meshes at very fine spatial resolutions that require supercomputing-scale resources. The user environment, Akuna, provides users with a range of tools to manage environmental and simulator data sets, create models, manage and share simulation data, and visualize results. Underlying the user interface are core toolsets that provide algorithms for sensitivity analysis, parameter estimation, and uncertainty quantification. Akuna is open-source, cross platform software that is initially being demonstrated on the Hanford BC Cribs remediation site. In this paper, we describe the emerging capabilities of Akuna and illustrate how these are being applied to the BC Cribs site.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

AKUNA – INTEGRATED TOOLSETS SUPPORTING ADVANCED SUBSURFACE FLOW AND TRANSPORT SIMULATIONS FOR ENVIRONMETAL MANAGEMENT

A next generation open source subsurface simulator and user environment for environmental management is being developed through a collaborative effort across Department of Energy National Laboratories. The flow and transport simulator, Amanzi, will be capable of modeling complex subsurface environments and processes using both unstructured and adaptive meshes at very fine spatial resolutions that require supercomputing-scale resources. The user environment, Akuna, provides users with a range of tools to manage environmental and simulator data sets, create models, manage and share simulation data, and visualize results. Underlying the user interface are core toolsets that provide algorithms for sensitivity analysis, parameter estimation, and uncertainty quantification. Akuna is open-source, cross platform software that is initially being demonstrated on the Hanford BC Cribs remediation site. In this paper, we describe the emerging capabilities of Akuna and illustrate how these are being applied to the BC Cribs site.

user interface, data management, uncertainty quant↗

Lead Isotope Fingerprinting of Nanoscale Mineral Particles via Single Particle Inductively Coupled Plasma Mass Spectrometry

Determining lead (Pb) isotopic ratios is of broad interest across chemical disciplines for source tracing and age determinations, but the technique is inherently limited when multiple sources of Pb are present in a single sample. Single particle methods offer a solution to directly resolve multiple distinct isotopic ratios within individual samples. In this study, single particle inductively coupled plasma-mass spectrometry (spICP-MS) was performed using time-of-flight (TOF) and multicollector (MC)-based platforms to measure the Pb isotopic composition of individual nanoscale particles. Distinct Pb isotope ratios were measured in particles from four powdered galena samples of different origins (average single-particle 206Pb/207Pb ratios ranging from 0.91 to 1.28) using both the TOF and the MC-based platforms. Differentiation of galena particles in a mixture (liberated grains and those hosted in a silicate matrix) was possible due to detecting their unique multielemental fingerprints. The differing behavior of the two galena samples during digestion was investigated; undigested galena particles trapped within silicate minerals were detected using spICP-MS, which has implications for Pb recovery in bulk-scale isotopic analysis. The multinuclide detection capability of the ICP-TOF-MS instrument allowed for the simultaneous detection of secondary constituent elements within the nanoparticles and the identification of multiple populations of isotopically distinct Pb-bearing particles in a copper ore sample, whereas the increased sensitivity of the MC instrument enabled quantification of 204Pb, allowing differentiation using multiple isotopic ratios. A single particle isotope ratio analysis module was developed within an open-source spICP-TOF-MS data processing platform, enabling its adoption across chemical disciplines.

Goodman, Aaron J. [University of Montreal, Quebec,↗

General Mission Analysis Tool (GMAT) Architectural Specification. Draft

Early in 2002, Goddard Space Flight Center (GSFC) began to identify requirements for the flight dynamics software needed to fly upcoming missions that use formations of spacecraft to collect data. These requirements ranged from low level modeling features to large scale interoperability requirements. In 2003 we began work on a system designed to meet these requirement; this system is GMAT. The General Mission Analysis Tool (GMAT) is a general purpose flight dynamics modeling tool built on open source principles. The GMAT code is written in C++, and uses modern C++ constructs extensively. GMAT can be run through either a fully functional Graphical User Interface (GUI) or as a command line program with minimal user feedback. The system is built and runs on Microsoft Windows, Linux, and Macintosh OS X platforms. The GMAT GUI is written using wxWidgets, a cross platform library of components that streamlines the development and extension of the user interface Flight dynamics modeling is performed in GMAT by building components that represent the players in the analysis problem that is being modeled. These components interact through the sequential execution of instructions, embodied in the GMAT Mission Sequence. A typical Mission Sequence will model the trajectories of a set of spacecraft evolving over time, calculating relevant parameters during this propagation, and maneuvering individual spacecraft to maintain a set of mission constraints as established by the mission analyst. All of the elements used in GMAT for mission analysis can be viewed in the GMAT GUI or through a custom scripting language. Analysis problems modeled in GMAT are saved as script files, and these files can be read into GMAT. When a script is read into the GMAT GUI, the corresponding user interface elements are constructed in the GMAT GUI. The GMAT system was developed from the ground up to run in a platform agnostic environment. The source code compiles on numerous different platforms, and is regularly exercised running on Windows, Linux and Macintosh computers by the development and analysis teams working on the project. The system can be run using either a graphical user interface, written using the open source wxWidgets framework, or from a text console. The GMAT source code was written using open source tools. GSFC has released the code using the NASA open source license.

Hughes, Steven P.↗

Predicting Pulsed-Laser Deposition SrTiO 3 Homoepitaxy Growth Dynamics Using High-Speed Reflection High-Energy Electron Diffraction

Pulsed-laser deposition (PLD) is a powerful technique for growing complex oxides with controlled stoichiometry. To understand growth dynamics therein, it is common to leverage in situ spectroscopies, such as reflection high-energy electron diffraction (RHEED), to monitor surface crystallinity. Most commercial systems rely on video-rate cameras operating at 60-120 Hz that lack sufficient temporal resolution to capture growth dynamics at practical deposition frequencies. Here, a high-speed platform to record in situ dynamics via RHEED at >500 Hz is implemented. An open-source analysis package is designed to fit diffraction spots to 2D Gaussians, allowing single-pulse surface reconstruction kinetics extraction. Using homoepitaxially deposited (001)-oriented SrTiO 3 as a model system, we demonstrate how high-speed RHEED can provide real-time insight into growth processes obscured by slower acquisition systems. By fitting the single-pulse intensity to a set of exponential functions, we observe changes in the characteristic decay time and mechanism correlated to the substrate step width and surface termination. We observe distinct surface effects, with diffraction intensity decaying on lower-energy TiO 2 -terminated surfaces and stabilizing on SrO- or mixed-terminated surfaces. Similarly, using an exponential model, the extracted characteristic time of adatom deposition decreases with increased density of bonding sites associated with mixed termination and narrower step widths. Ultimately, this work shows how increasing RHEED temporal resolution can uncover new insights into growth processes, with practical implications for the design and control of PLD processes. This experimental platform provides new capabilities to enable data-driven machine learning analysis and autonomous control systems to enhance the complexity and fecundity of PLD.

(SrO)↗

PRISMS-Fatigue computational framework for fatigue analysis in polycrystalline metals and alloys

Abstract The PRISMS-Fatigue open-source framework for simulation-based analysis of microstructural influences on fatigue resistance for polycrystalline metals and alloys is presented here. The framework uses the crystal plasticity finite element method as its microstructure analysis tool and provides a highly efficient, scalable, flexible, and easy-to-use ICME community platform. The PRISMS-Fatigue framework is linked to different open-source software to instantiate microstructures, compute the material response, and assess fatigue indicator parameters. The performance of PRISMS-Fatigue is benchmarked against a similar framework implemented using ABAQUS. Results indicate that the multilevel parallelism scheme of PRISMS-Fatigue is more efficient and scalable than ABAQUS for large-scale fatigue simulations. The performance and flexibility of this framework is demonstrated with various examples that assess the driving force for fatigue crack formation of microstructures with different crystallographic textures, grain morphologies, and grain numbers, and under different multiaxial strain states, strain magnitudes, and boundary conditions.

Chemistry↗

Sustainable Lactic Acid Production from Lignocellulosic Biomass

Lignocellulosic biomass is a promising feedstock for sustainable biofuels and bioproducts. Among emerging bioproducts, lactic acid has attracted significant interest because of its growing application in many industries (e.g., packaging, medical, and pharmaceutical). In this study, BioSTEAM—an open-source platform—was leveraged for the design, simulation, and evaluation (via techno-economic analysis, TEA, and life cycle assessment, LCA) of lignocellulosic lactic acid biorefineries. With a minimum product selling price (MPSP) between 1.38 and 1.91 kg –1 (5th–95th percentiles, baseline at 1.57 kg –1 ), the biorefinery was capable of producing market-competitive lactic acid (market price between 1.7 and 2.1 kg –1 ), and its performance could be further enhanced (e.g., MPSP down to 1.09 kg –1 , global warming potential of 2.79 kg CO 2 -eq·kg –1 , and fossil energy consumption of 31.7 MJ·kg –1 ) with advancements in key technological parameters (fermentation yield and separation process conversions) and optimization in process operation. Sensitivity analyses focused on the fermentation unit (across titer, yield, and productivity; neutral vs low-pH fermentation) and feedstock characteristics (carbohydrate content and price) were also included to quantify their impact on the sustainability of the biorefinery. Overall, this research highlights the ability of agile TEA/LCA to screen promising biorefinery designs, prioritize research needs, and establish a road map for the continued development of bioproducts and biofuels.

09 BIOMASS FUELS↗

Oscillation Baselining and Analysis Tool

PNNL developed a new tool for oscillation analysis and baselining. This tool has been developed under a new DOE Grid Modernization Laboratory Consortium (GMLC) Project (GM0072 - “Suite of open-source applications and models for advanced synchrophasor analysis”) and it is based on the open platform for PMU analysis. The Oscillation Baselining and Analysis Tool (OBAT) performs the oscillation analysis and identifies modes of oscillations (frequency, damping, energy, and shape). The tool also does oscillation event baselining (fining correlation between oscillations characteristics and system operating conditions).

Source record↗

PowerAnalytics.jl: User-Centric Power Systems Analysis in Julia

The National Laboratory of the Rockies recently released version 1 of PowerAnalytics.jl, an analysis module for the outputs of its popular open-source electrical power systems modeling platform Sienna. It features an extensible framework - based on the flexible selecting of components, the execution of arbitrary metrics on them, and a familiar DataFrames-based output interface with embedded metadata - to process results in the Sienna style while keeping the interface as simple as possible for non-Julia experts. Here, I describe the package and where it fits into the Sienna ecosystem, how I harnessed user-centered design and Julia features to achieve beginner friendliness without sacrificing performance and expressibility, and what lessons might be drawn from the package's design and implementation.

97 MATHEMATICS AND COMPUTING↗

Development and Validation of a Process Model and Open-Source Process Simulator for Microalgae-Based Tertiary Phosphorus Recovery

Microalgae-based tertiary wastewater treatment has the potential to meet stringent effluent phosphorus limits, with the added benefit of producing a marketable feedstock. However, the lack of validated mechanistic models and their implementation in process simulators have limited the adoption of this technology. In this study, an updated lumped pathway metabolic model (Phototrophic-Mixotrophic Process Model, PM 2 ), including both photoautotrophic and heterotrophic metabolisms of microalgae, was developed to predict effluent phosphorus concentration and biomass yield in response to dynamic influent and varying environmental conditions. The model was implemented in QSDsan – an open-source, Python-based design and simulation platform – for robust simulation under uncertainty. A global sensitivity analysis was performed to prioritize model parameters for calibration. The model was then calibrated and validated using batch experimental data and 45 days of continuous online monitoring data from a full-scale (568 m 3 ·d -1 ) microalgae-based tertiary wastewater treatment plant (EcoRecover process). In particular, along with dynamic influent composition, temperature and light intensity data with diel variation were provided as model inputs to reflect the microalgal behavior under day-night cycling. Overall, the QSDsan-based microalgae process simulator was able to predict effluent phosphorus within 0.02–0.04 mg-P·L -1 , while also capturing the general trends of state variables according to nutrient availability.

Lumped pathway metabolic model↗

WaterTAP: Tool for analysis of water treatment systems

This presentation describes the Water treatment Technoeconomic Assessment Platform (WaterTAP), an open-source software tool to analyze water treatment trains. The presentation was provided to the NAWI Alliance Fall Meeting on November 29th 2023 and it includes an overview of the tool and a couple of analyses demonstrating its capabilities. The analyses include a technoeconomic assessment of a novel membrane-based technology called low salt rejection reverse osmosis and a brackish water desalination train with pretreatment.

Dudchenko, Alexander↗

Classification of Notices to Airmen using Natural Language Processing

This paper establishes the feasibility of using Natural Language Processing (NLP) to classify NOTAMs or Notices to Airmen – a pilot messaging framework to gather real-time situational awareness. Present day air mobility operations heavily rely on NOTAMs. However, pilots often have difficulty interpreting NOTAMs due to the sheer volume of inapplicable messages and unclear abbreviations. Using NLP, the presented study analyzes the accuracy of classifying NOTAMs and, thereby, the efficiency of generating actionable interpretations in real time. To this effect, efficacies of four NLP neural network architectures were analyzed, including three Recurrent Neural Networks (RNNs) with GloVe, Word2Vec, and FastText word embeddings, and one trained Bi-Directional Encoder Representations from Transformers (BERT) model. The four neural networks were trained and evaluated on three open-source datasets of varying text lengths, vocabularies, and grammars, taken from e-commerce product descriptions, social media tweets, and unstructured descriptions for data and analytics services on open data marketplaces such as NASA’s Data and Reasoning Fabric (DRF) platform. This provided cross-analysis of each neural network architecture’s performance per text type. The best performing architecture, BERT, was then fine-tuned on a collection of open-source NOTAM data. Post-training, a real-time NOTAM classification service was implemented to draw inference on new NOTAMs using the trained model, which demonstrated close to 99% accuracy in classification. This modular classification service is envisioned to be integrated with a data and analytics delivery platform, such as the DRF, thus availing real-time contextualization of NOTAMs to air mobility clients, humans, and machines for enhanced decision making.

Aiden C. Szeto↗

Classification of Notices to Airmen using Natural Language Processing

This paper establishes the feasibility of using Natural Language Processing (NLP) to classify NOTAMs or Notices to Airmen – a pilot messaging framework to gather real-time situational awareness. Present day air mobility operations heavily rely on NOTAMs. However, pilots often have difficulty interpreting NOTAMs due to the sheer volume of inapplicable messages and unclear abbreviations. Using NLP, the presented study analyzes the accuracy of classifying NOTAMs and, thereby, the efficiency of generating actionable interpretations in real time. To this effect, efficacies of four NLP neural network architectures were analyzed, including three Recurrent Neural Networks (RNNs) with GloVe, Word2Vec, and FastText word embeddings, and one trained Bi-Directional Encoder Representations from Transformers (BERT) model. The four neural networks were trained and evaluated on three open-source datasets of varying text lengths, vocabularies, and grammars, taken from e-commerce product descriptions, social media tweets, and unstructured descriptions for data and analytics services on open data marketplaces such as NASA’s Data and Reasoning Fabric (DRF) platform. This provided cross-analysis of each neural network architecture’s performance per text type. The best performing architecture, BERT, was then fine-tuned on a collection of open-source NOTAM data. Post-training, a real-time NOTAM classification service was implemented to draw inference on new NOTAMs using the trained model, which demonstrated close to 99% accuracy in classification. This modular classification service is envisioned to be integrated with a data and analytics delivery platform, such as the DRF, thus availing real-time contextualization of NOTAMs to air mobility clients, humans, and machines for enhanced decision making.

Aiden Szeto↗

Open‐Source Anaerobic Digestion Modeling Platform, Anaerobic Digestion Model No. 1 Fast (ADM1F)

An open‐source modeling platform, called Anaerobic Digestion Model No. 1 Fast (ADM1F), is introduced to achieve fast and numerically stable simulations of anaerobic digestion processes. ADM1F is compatible with an iPython interface to facilitate model configuration, simulation, data analysis, and visualization. Faster simulations and more stable results are accomplished by implementing an advanced open‐source library of numerical methods called Portable Extensive Toolkit for Scientific Computation (PETSc) to solve the ADM1 system of equations. Leveraging PETSc, ADM1F can consistently complete a steady‐state simulation under 0.2 s, over 99% faster than a benchmark ADM1 model implemented with MATLAB while achieving agreement of model outputs within 1% of those obtained with the benchmark model. For dynamic simulations, however, ADM1F has a computational speed advantage only when the influent characteristics update more frequently than every 4 h. The ability of ADM1F to be useful as a tool to study anaerobic digestion systems is demonstrated through two example implementations of ADM1F: (1) a two‐phase co‐digestion scenario evaluating the impact of the organic loading rate and the substrate composition on reactor performance and stability, and (2) a conventional digester scenario assessing the effectiveness of recovery strategies after disruptions that led to instability. These examples demonstrate how the high simulation speed and the convenience of the iPython interface allow ADM1F to complete complex analyses within minutes, much faster than computational strategies currently reported in the literature.

anaerobic co-digestion↗