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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 199 records · Page 11

Rapid Hypersonic Simulations using US3D and Pointwise

For hypersonic simulations, unstructured flow solvers typically have problems predicting surface heat fluxes when strong shocks are present. To address these issues, this paper outlines a workflow that applies best practices developed for structured grids to unstructured meshes. In addition, unstructured grid generation can significantly reduce the time required to create quality grids for complex geometries. Several examples are computed using DPLR, a structured grid flow solver, and US3D flow, an unstructured mesh solver. Results from the two codes are compared, and they show excellent agreement. Overall, the unstructured grid workflow offers a viable and attractive alternative for hypersonic simulations.

C. Tang↗

Rapid Hypersonic Simulations using US3D and Pointwise

For hypersonic simulations, unstructured flow solvers typically have problems predicting surface heat fluxes when strong shocks are present. To address these issues, this paper outlines a workflow that applies best practices developed for structured grids to unstructured meshes. In addition, unstructured grid generation can significantly reduce the time required to create quality grids for complex geometries. Several examples are computed using DPLR, a structured grid flow solver, and US3D flow, an unstructured mesh solver. Results from the two codes are compared, and they show excellent agreement. Overall, the unstructured grid workflow offers a viable and attractive alternative for hypersonic simulations.

Chun Tang↗

Curating Carbon Storage Data for Reuse: Enabling Research and Modeling from Earth’s Surface to Subsurface

The volume of public geologic carbon storage (GCS) data resources has continued to increase in recent years as the result of an increase in funding from government, industry, and academia towards national, basin, regional and field scale studies to ensure carbon capture and storage becomes a commercially viable operation. Despite the increasing volume of data, GCS data applied towards analyses such as geologic, cost, and risk modeling continues to be multi-sourced and often disparate in nature, published across government agencies, websites, data repositories and buried in derivative reports and documents. Much of the time preparing for an analysis and derivative product development is spent collecting, aggregating, transforming and preparing input data. There have been significant efforts within the DOE National Energy Technology Laboratory’s Carbon Storage Program to optimize multi-source, multi-scale subsurface geologic data curation and aggregation to support data discovery, interoperability, and reuse. Methods include the use of artificial intelligence, machine learning, and data science techniques. This talk will discuss the workflows, best practices, and processes developed to support the aggregation and curation of data through the whole system – surface to subsurface data - that support multi-scale, multi-purpose analysis for carbon storage research.

Morkner, Paige↗

Unstructured Grid Development for the Space Launch System Liftoff and Transition Lineloads Computational Analysis

Production of aerodynamic lineloads databases for the Space Launch System (SLS) vehicle at Liftoff and Transition (LOT) conditions has required the development of a Computational Fluid Dynamics (CFD) workflow capable of producing high-quality solutions for this unique phase of flight. Aerodynamic considerations included a wide range of flow angles (from 0°up to 90°total angle of attack), resulting leeside separation, and interaction effects between the three bodies of the integrated SLS vehicle, as well as the nearby launch tower. Computational mesh development for similar problems at the NASA Langley Research Center (such as for the Constellation/Ares launch vehicles) has primarily relied on in-house tools such as VGRID/POSTGRID, with grids designed for NASA-developed and maintained flow solvers such as USM3D and FUN3D. The workflow for such problems has evolved over the development of the various SLS configurations to incorporate new tools such as the Heldenpatch/Heldenmesh grid generator (Helden Aerospace) and CREATE-AV Kestrel (US Department of Defense) flow solver. This paper describes efforts to benchmark a grid generation approach for LOT problems using Heldenpatch/Heldenmesh and Kestrel, verified against prior best practices from VGRID/POSTGRID. Parameters studied include surface grid density, first-layer viscous cell height, and volume grid growth rate parameters. Resulting solutions are compared based on total force and moment values, sectional line loads, and surface pressures, all validated against existing wind tunnel aerodynamic databases where available for the SLS Block 1B Cargo configuration.

Space launch systems↗

A Flexible Method for Producing F.E.M. Analysis of Bone Using Open-Source Software

This project, performed in support of the NASA GRC Space Academy summer program, sought to develop an open-source workflow methodology that segmented medical image data, created a 3D model from the segmented data, and prepared the model for finite-element analysis. In an initial step, a technological survey evaluated the performance of various existing open-source software that claim to perform these tasks. However, the survey concluded that no single software exhibited the wide array of functionality required for the potential NASA application in the area of bone, muscle and bio fluidic studies. As a result, development of a series of Python scripts provided the bridging mechanism to address the shortcomings of the available open source tools. The implementation of the VTK library provided the most quick and effective means of segmenting regions of interest from the medical images; it allowed for the export of a 3D model by using the marching cubes algorithm to build a surface mesh. To facilitate the development of the model domain from this extracted information required a surface mesh to be processed in the open-source software packages Blender and Gmsh. The Preview program of the FEBio suite proved to be sufficient for volume filling the model with an unstructured mesh and preparing boundaries specifications for finite element analysis. To fully allow FEM modeling, an in house developed Python script allowed assignment of material properties on an element by element basis by performing a weighted interpolation of voxel intensity of the parent medical image correlated to published information of image intensity to material properties, such as ash density. A graphical user interface combined the Python scripts and other software into a user friendly interface. The work using Python scripts provides a potential alternative to expensive commercial software and inadequate, limited open-source freeware programs for the creation of 3D computational models. More work will be needed to validate this approach in creating finite-element models.

gravitational physiology↗

TAMU: Blueprint for A New Space Mission Operations System Paradigm

The Transferable, Adaptable, Modular and Upgradeable (TAMU) Flight Production Process (FPP) is a System of System (SOS) framework which cuts across multiple organizations and their associated facilities, that are, in the most general case, in geographically disperse locations, to develop the architecture and associated workflow processes of products for a broad range of flight projects. Further, TAMU FPP provides for the automatic execution and re-planning of the workflow processes as they become operational. This paper provides the blueprint for the TAMU FPP paradigm. This blueprint presents a complete, coherent technique, process and tool set that results in an infrastructure that can be used for full lifecycle design and decision making during the flight production process. Based on the many years of experience with the Space Shuttle Program (SSP) and the International Space Station (ISS), the currently cancelled Constellation Program which aimed on returning humans to the moon as a starting point, has been building a modern model-based Systems Engineering infrastructure to Re-engineer the FPP. This infrastructure uses a structured modeling and architecture development approach to optimize the system design thereby reducing the sustaining costs and increasing system efficiency, reliability, robustness and maintainability metrics. With the advent of the new vision for human space exploration, it is now necessary to further generalize this framework to take into consideration a broad range of missions and the participation of multiple organizations outside of the MOD; hence the Transferable, Adaptable, Modular and Upgradeable (TAMU) concept.

Ruszkowski, James T.↗

Understanding Event Trajectories Across Massive Temporal Datasets with Word Embeddings and Visualization

In collaboration with researchers from Virginia Tech, Savannah River National Laboratory has continued development of a natural language processing pipeline to identify and extract events of interest from massive open data sources in the domain of worldwide state-sponsored civil nuclear energy. The foundation of the pipeline is built on compass aligned temporal word embedding models, whereby contextual shifts are automatically identified by comparing keyword embedding vectors across successive time windows. Within the approach, a contextual shift indicates the occurrence of a potential event of interest. However, in such a broad topical domain that captures events at a global scale, across various life cycle stages, and across numerous different technology types, a user that is monitoring events may have broad interests in capturing many different event types with varying degrees of signal. As such, the quantity of information that may be returned from an automated event extraction pipeline can be substantial, requiring manual effort to sift through the information to identify any relevant bits of information. Therefore, a more streamlined workflow that aids in directing a user toward specific information at different points in time is necessary. The workflow presented here has been developed with this concept in mind, built on top of the initial prototype event extraction pipeline, whereby a user can analyze temporal text-based data sources at multiple different contextual levels to isolate key points in time and key subdomains captured within a data corpus. Using multiple corpuses that consist of approximately 7 million Tweets and 7 million news articles, the team has extended compass aligned temporal word embedding models to establish an interconnected and hierarchical structure that relates known key words of interest to documents, local topics (i.e., within a time window), and global topics across the corpuses. All of this information is packaged into a visual analytics system that is linked to the information extraction pipeline and enables a user to identify contextual information that describes the evolution of a high dimensional embedding space across time to isolate changes of interest and explore associated events. This report demonstrates the use of these analytics and a means to fuse information across multiple datasets.

97 MATHEMATICS AND COMPUTING↗

MITRE Domain Specific Language (DSL) for synthetic biology workflows (CRADA Final Report)

MITRE is currently developing BioNet, a network designed to facilitate the work of biologist collaborators that are distributed across multiple organizations. BioNet is envisaged to break down traditional barriers in biology, allowing for an integrated, service-based approach to projects which can utilize expertise from any participating entity. This disaggregation fosters innovation by enabling contributions from multiple sources. The public will benefit from the development of the BioNet (to which this project contributes), in that this fostered innovation could positively contribute to our economy.

59 BASIC BIOLOGICAL SCIENCES↗

Towards Resilient Near Real-Time Analysis Workflows in Fusion Energy Science

Nuclear fusion holds the promise of an endless source of energy. Several research experiments across the world and joint modeling and simulation efforts between the nuclear physics and high performance computing communities are actively preparing the operation of the International Thermonuclear Experimental Reactor (ITER). Both experimental reactors and their simulated counterparts generate data that must be analyzed quickly and in a resilient way to support decision making for the configuration of subsequent runs or prevent a catastrophic failure. However, the cost if the traditional techniques used to improve the resilience of analysis workflows, i.e., replicating datasets and computational tasks, becomes prohibitive with explosion of the volume of data produced by modern instruments and simulations. Therefore, we advocate in this paper for an alternate approach based on data reduction and data streaming. The rationale is that by allowing for a reasonable, controlled, and guaranteed loss of accuracy it becomes possible to transfer smaller amounts of data, shorten the execution time of analysis workflows, and lower the cost of replication to increase resilience. We develop our research and development roadmap towards resilient near real-time analysis workflows in fusion energy science and present early results showing that data streaming and data reduction is a promising way to speed up the execution and improve the resilience of analysis workflows.

Suter, Fred↗

Quantifying Groundwater Response and Uncertainty in Beaver‐Influenced Mountainous Floodplains Using Machine Learning‐Based Model Calibration

Abstract Beavers ( Castor canadensis ) alter river corridor hydrology by creating ponds and inundating floodplains, and thereby improving surface water storage. However, the impact of inundation on groundwater, particularly in mountainous alluvial floodplains with permeable gravel/cobble layers overlain by a soil layer, remains uncertain. Numerical modeling across various floodplain structures considers topographic and sediment complexity and multidirectional flow, linking inundation to groundwater response. This study develops a model‐data integration workflow to address uncertainty in groundwater response to beaver‐induced inundations in a mountainous alluvial floodplain in the Upper Colorado River Basin. Uncertain factors include seasonal hydrologic dynamics, hydraulic conductivities, floodplain structures, and meteorological forcings. We employed an ensemble of groundwater models, based on geophysical and hydrologic data, with machine learning‐based calibration using a neural density estimator. This allowed us to quantify the vertical flux from the soil layer to the permeable gravel bed, the down‐valley underflow within the gravel bed, and their ratios. Results show a significant increase in the vertical flux relative to down‐valley underflow, from 2 during dry pond periods to 20 during wet periods, serving as an analogy for conditions without and with beaver ponds. The study highlights the influence of floodplain structure on groundwater storage, water balance, and water quality impacted by beaver ponds. A thick gravel bed layer, with a large down‐valley underflow, minimizes the effect of beaver‐induced inundation on water quality. We emphasize the need for field‐scale measurements of floodplain structure and improved characterization of evapotranspiration changes to reduce uncertainty in groundwater response. Plain Language Summary Beavers change the flow of water in river corridors by creating ponds, expanding wetlands, and flooding floodplains. This increases surface water area, promotes plant growth, and enhances biodiversity. However, the impact of this flooding on groundwater flow is not well understood, especially in mountainous areas with gravel layers where water moves easily beneath soil. In this study, we used numerical modeling to investigate how beaver ponds influence groundwater in a mountainous floodplain of the Upper Colorado River Basin. We adapted a machine learning method to validate our numerical models using multiple field data sets. Our findings show that beaver ponds significantly increase vertical water flow from the soil to the gravel during wet periods, compared to when the ponds are fully drained. The study also highlights the importance of floodplain structure in controlling both water flow in gravel layers along the river direction and vertical flow from the soil to the gravel with the presence of beavers. To reduce uncertainty in groundwater response, we emphasize the need for more field‐scale measurements of floodplain structure, hydraulic properties, and evapotranspiration changes. Key Points Floodplain structures and hydraulic conductivities are important for groundwater response with beaver ponds in mountainous floodplains Large down‐valley underflow in permeability‐stratified floodplains reduces beaver‐induced impacts on groundwater storage and water quality Machine learning‐based model calibration methods are effective for estimating posterior distributions of groundwater model parameters

Wang, Lijing↗

dynamics of organic-mineral interactions at the metal oxide-solution interface as studied via binding energetics (Final report)

This project focused on addressing longstanding fundamental and experimental uncertainties on how dissolved organic substances (DOS) interact with metal oxide surface under environmentally relevant conditions. By leveraging a custom-built real-time, in-tandem flow adsorption microcalorimetry-UV-Vis/fluorescence spectroscopy platform, we characterized the binding energetics, kinetics and mechanistic pathways driving DOS-metal oxide interactions at temporal resolution on the order of 1-5 seconds. We studied a diverse suite of model organic compounds/substances – including monocarboxylates (e.g. acetate and benzoate), di-carboxylates (oxalate and succinate), amino acids, amino-based nanparticles and natural organic matter – interacting at the mineral-water interface of structurally- and/or chemically distinct metal oxides (including SiO2, boehmite, ferrihydrite, and γ-Al2O3). Our results indicated that DOS-metal oxide interactions are governed by multi-step reaction pathways, often switching between distinct, resolvable enthalpy- and entropy-driven non-electrostatic or electrostatic configurations. To quantify these interactions, we developed and implemented an analytical workflow that integrates peak deconvolution and Monte-Carlo based error propagation to determine site-specific thermodynamic and kinetic parameters for individual binding/debinding events. In addition to resolving apparent first-order rate constants of each event, we were able to quantify associated apparent equilibrium constants as well as free energy, enthalpy and entropy contribution to the activation and subsequent progression of the binding/debinding process across compounds, compound class and metal oxide surfaces. The kinetic-thermodynamic data produced in this study captured how the interplay between oxide surface reactivity and DOS molecular structure jointly drives binding-debinding dynamics. Notably, that at pH below PZC of the oxide surface, neutral species were heavily involved in monocarboxylate binding, while anionic species drove dicarboxylate binding. Also, that among amino acids 1) positional isomers show distinctive binding characteristics to each other while enantiomers show no significant differences in binding characteristics, 2) molecules that bind via outer-sphere complexation show a larger entropic shift between binding and debinding with no impact on oxide surface while 3) inner-sphere interactions increased anion exchange capacity of the oxide surface. The new insights and data from this work has great potential for improving predictive modeling of carbon dynamics and specifically organic-mineral interactions in environmental and industrial systems.

54 ENVIRONMENTAL SCIENCES↗

Relating Oxidative Protein Damage to Antioxidant Status in Health and Disease (Full Technical Report for 24-LW-026)

This two-year project evaluated how dietary antioxidants influence oxidative damage in cancer using complementary analytical and in-vivo approaches. We initially developed a protein oxidation labeling workflow and a parallel accelerator and molecular mass spectrometry (PAMMS) quantification method, but ultimately discontinued the labeling strategy due to unresolved separation challenges; PAMMS was instead leveraged to quantify radiolabeled catechol in rat plasma as a methodological benchmark. The biological study used a genetically engineered murine model (GEMM) for breast cancer (n = 40; four groups of 10: cancer/high antioxidant diet, cancer/normal diet, healthy/high-antioxidant diet, healthy/normal diet). In lieu of the abandoned labeling assay, untargeted metabolomics profiled plasma across groups, revealing widespread treatment-dependent changes in metabolites.

59 BASIC BIOLOGICAL SCIENCES↗

Pipeline for Integrated Projects in Energy Systems (PIPES): A Tool for Integrated System Planning [Slides]

The Pipeline for Integrated Projects in Energy Systems (PIPES) is a comprehensive project, data, and workflow management tool designed for integrated modeling teams. PIPES facilitates the management of data requirements, tasks, and progress tracking, serving as a higher-level integration layer that works across various data and modeling software. This tool integrates models, data, and tools to perform large-scale, integrated analysis work at scale. PIPES is designed to streamline integrated modeling projects, enhance collaboration, and ensure the quality and efficiency of data management and workflow processes. This presentation introduces PIPES a multi-model tool for integrated system planning; it describes the underlying architecture, deep dives into common user workflows, and outlines the upcoming development roadmap beyond its current alpha state.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

The Science Discovery Engine: Connecting Heterogeneous Scientific Data and Information

Transformative science often occurs at the boundaries of different disciplines. Making interdisciplinary science data, software and documentation discoverable and accessible is essential to enabling transformative science. However, connecting this diverse and heterogeneous information is often a challenge due to several factors including the dispersed and sometimes isolated nature of data and the semantic differences between topical areas. NASA’s Science Discovery Engine (SDE) has developed several approaches to tackling these challenges. The SDE is a unified, insightful search experience that enables discovery of NASA’s open science data across five topical areas: astrophysics, biological and physical sciences, Earth science, heliophysics and planetary science. In this presentation, we will discuss our efforts to develop a systematic scientific curation workflow to integrate diverse content into a single search environment. We will also share lessons learned from our work to create a metadata crosswalk across the five disciplines.

Kaylin Bugbee↗

Advanced Materials and Manufacturing Technologies Nondestructive Examination Efforts at Idaho National Laboratory: Report of FY-24 Efforts

This report details FY-24 nondestructive examination (NDE) efforts at Idaho National Laboratory (INL) in support of the Advanced Materials and Manufacturing Technologies (AMMT) program. While the goal of this endeavor is to develop a multi-modal, multi-length scale workflow for nondestructive characterization of advanced manufactured (AM) nuclear reactor components, substantial development remains until this is a reality. In support of this effort X-ray computed tomography (XCT), X-ray diffraction (XRD), neutron computed tomography (nCT), neutron diffraction, lock-in thermography (LIT), multi-point lock-in thermography (MLIT), and positron annihilation spectroscopy (PAS) were all used on AM specimens to examine defects such as voids, porosity, and residual stress. In addition to summarizing the results of these NDE applications, recommendations for integrating these into a more comprehensive undertaking to promote NDE of engineering-scale components are also included.

36 MATERIALS SCIENCE↗

Towards time-resolved MicroED grid preparation using mix-and-inject gas dynamic virtual nozzles

Recent progress in gas dynamic virtual nozzle (GDVN) technologies in combination with high-brilliance synchrotron and X-ray free-electron lasers (XFELs) has allowed the visualization of protein dynamics in crystallo by mixing macromolecular protein crystals with a substrate using tunable mixing times on the order of milliseconds to seconds prior to serial X-ray diffraction data collection. This has become the method of choice for high-resolution structure determination of intermediate states. However, such experiments require large counts of crystals of proper sizes for high-resolution data collection, and premium beam times for screening efforts. Cryogenic microcrystal electron diffraction (MicroED) represents a complementary technique that may be a more accessible avenue for time-resolved nanocrystallography compared with serial X-ray diffraction experiments. MicroED can produce full diffraction datasets from just a few submicrometre-thick crystals, and the approach is more readily accessible, requiring standard cryogenic transmission electron microscopy (TEM) equipment available at many universities and institutes. Cryogenic MicroED, like other forms of cryo-EM, begins with rapidly freezing biological material on electron microscopy grids. In the case of MicroED, micro- to nano-crystals (<500 nm thick) are deposited onto electron microscopy grids and plunge-frozen for subsequent electron diffraction data collection. Here, we have incorporated GDVN technology developed originally for XFEL experiments into the freezing process as a first step towards time-resolved studies. We describe the limited deposition efficiency of the model MicroED protein proteinase K on TEM grids using GDVNs, preceding sample vitrification and successful MicroED data collection. We discuss both the initial results from such experiments and the methodological challenges in developing this approach into a reliable workflow for millisecond-to-second time-resolved structural studies of macromolecules. Our results promise a strategy to deposit crystals on grids using GDVNs and determine high-resolution structures by MicroED, constituting a first step towards development of time-resolved MicroED experiments.

MicroED↗

PIMS-Universal Payload Information Management

As the overall manager and integrator of International Space Station (ISS) science payloads and experiments, the Payload Operations Integration Center (POIC) at Marshall Space Flight Center had a critical need to provide an information management system for exchange and management of ISS payload files as well as to coordinate ISS payload related operational changes. The POIC's information management system has a fundamental requirement to provide secure operational access not only to users physically located at the POIC, but also to provide collaborative access to remote experimenters and International Partners. The Payload Information Management System (PIMS) is a ground based electronic document configuration management and workflow system that was built to service that need. Functionally, PIMS provides the following document management related capabilities: 1. File access control, storage and retrieval from a central repository vault. 2. Collect supplemental data about files in the vault. 3. File exchange with a PMS GUI client, or any FTP connection. 4. Files placement into an FTP accessible dropbox for pickup by interfacing facilities, included files transmitted for spacecraft uplink. 5. Transmission of email messages to users notifying them of new version availability. 6. Polling of intermediate facility dropboxes for files that will automatically be processed by PIMS. 7. Provide an API that allows other POIC applications to access PIMS information. Functionally, PIMS provides the following Change Request processing capabilities: 1. Ability to create, view, manipulate, and query information about Operations Change Requests (OCRs). 2. Provides an adaptable workflow approval of OCRs with routing through developers, facility leads, POIC leads, reviewers, and implementers. Email messages can be sent to users either involving them in the workflow process or simply notifying them of OCR approval progress. All PIMS document management and OCR workflow controls are coordinated through and routed to individual user's "to do" list tasks. A user is given a task when it is their turn to perform some action relating to the approval of the Document or OCR. The user's available actions are restricted to only functions available for the assigned task. Certain actions, such as review or action implementation by non-PIMS users, can also be coordinated through automated emails.

Elmore, Ralph↗

AI-Based Analytics and Energy Modeling Framework for Characterizing Urban Energy Systems

Developing location-specific district energy models is essential for understanding energy patterns and supporting efficient management and planning decisions. However, accurately characterizing these models remains challenging due to gaps in building characteristics and labor-intensive traditional modeling workflows. To address these challenges, we develop an AI-based framework that integrates top-down and bottom-up building energy data to automate urban energy model characterization. The framework trains multimodal deep learning models using heterogeneous ResStockTM datasets to infer missing building characteristics from varying levels of known information and generate simulation-ready inputs for district-scale energy modeling. It also employs a conditioning-based injection approach to generate ”what-if” scenarios, enabling users to explore retrofit, efficiency, and technology-upgrade pathways. Integrated within URBANoptTM, a bottom-up district energy modeling platform for simulating co-located buildings, the framework infers detailed building-level inputs required for bottom-up simulations. Both localized and generalized AI models are developed to learn relationships across categorical, numerical, and time-series data, enabling reconstruction of missing attributes and generation of targeted upgrade scenarios. We demonstrate this methodology on a residential neighborhood in Baltimore, MD, assessing internal consistency against ResStock reference data and URBANopt simulation, and comparing selected attributes against real-world building characteristics. Results show strong overall predictive accuracy in data completion and scenario generation, with localized and generalized models offering complementary trade-offs between precision and scalability. Overall, our automated framework streamlines energy modeling and provides a reliable framework for urban building energy characterization.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗