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DOE OSTI2022

New Insights into Physical Aging‐Induced Structure Evolution in Carbon Molecular Sieve Membranes

Abstract Carbon molecular sieve (CMS) membranes offer the best available combination of scalable economical processability with excellent separation performance. Physical aging of CMS membranes causes pore structure changes over time that affect CMS membrane performance. To provide fundamental insights into the structure evolution in CMS membranes during physical aging, a combined dual‐mode sorption and transport model is used in this study to characterize the diffusion coefficients of gas molecules in fresh and 7‐day vacuum aged CMS membranes. The results show physical aging of CMS membrane is primarily “diffusion related” and such aging behavior simultaneously causes ultramicropore changes in the continuous phase and Langmuir phase of CMS membrane. The new insights offered in this study suggest strategies to control the physical aging of CMS membranes and even use it as a valuable tool to tune the separation performance of CMS membranes for demanding gas separations.

Liu, Zhongyun↗

NASA NTRS2014

Use MACES IVA Suit for EVA Mobility Evaluations

The use of an Intra-Vehicular Activity (IVA) suit for a spacewalk or Extra-Vehicular Activity (EVA) was evaluated for mobility and usability in the Neutral Buoyancy Lab (NBL) environment. The Space Shuttle Advanced Crew Escape Suit (ACES) has been modified (MACES) to integrate with the Orion spacecraft. The first several missions of the Orion MPCV spacecraft will not have mass available to carry an EVA specific suit so any EVA required will have to be performed by the MACES. Since the MACES was not designed with EVA in mind, it was unknown what mobility the suit would be able to provide for an EVA or if a person could perform useful tasks for an extended time inside the pressurized suit. The suit was evaluated in multiple NBL runs by a variety of subjects including crewmembers with significant EVA experience. Various functional mobility tasks performed included: translation, body positioning, carrying tools, body stabilization, equipment handling, and use of tools. Hardware configurations included with and without TMG, suit with IVA gloves and suit with EVA gloves. Most tasks were completed on ISS mockups with existing EVA tools. Some limited tasks were completed with prototype tools on a simulated rocky surface. Major findings include: demonstration of the ability to weigh-out the suit, understanding the need to have subjects perform multiple runs prior to getting feedback, determination of critical sizing factors, and need for adjustment of suit work envelop. The early testing has demonstrated the feasibility of EVA's limited duration and limited scope. Further testing is required with more flight like tasking and constraints to validate these early results. If the suit is used for EVA, it will require mission specific modifications for umbilical management or PLSS integration, safety tether attachment, and tool interfaces. These evaluations are continuing through calendar year 2014.

Watson, Richard D.↗

DOE OSTI2022

New Insights into Physical Aging-Induced Structure Evolution in Carbon Molecular Sieve Membranes

Carbon molecular sieve (CMS) membranes offer the best available combination of scalable economical processability with excellent separation performance. Physical aging of CMS membranes causes pore structure changes over time that affect CMS membrane performance. To provide fundamental insights into the structure evolution in CMS membranes during physical aging, a combined dual-mode sorption and transport model is used in this study to characterize the diffusion coefficients of gas molecules in fresh and 7-day vacuum aged CMS membranes. Further, the results show physical aging of CMS membrane is primarily “diffusion related” and such aging behavior simultaneously causes ultramicropore changes in the continuous phase and Langmuir phase of CMS membrane. The new insights offered in this study suggest strategies to control the physical aging of CMS membranes and even use it as a valuable tool to tune the separation performance of CMS membranes for demanding gas separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Experimental and numerical analysis of the performance and wake of a scale–model horizontal axis marine hydrokinetic turbine

Here, this paper presents an experimental and numerical study of a scale-model Horizontal Axis Hydrokinetic Turbine (HAHT). The model turbine is based on the U.S. Department of Energy Reference Model 1 (RM1), with the blade geometry modified to reproduce the design C p –TSR performance curve of the RM1 at the flume scale Reynolds numbers (5 × 10 4 –10 × 10 5 ). The performance and wake structure of a 45:1 scale turbine were measured using a load cell (torque applied on shaft) and a magnetic angular encoder (rotor rpm), and by planar particle image velocimetry, respectively. The details of the rotor flow field and three-dimensional wake evolution are analyzed from the numerical solution of the RANS equations solved around a computational model of the turbine. The comparison of experimental and numerical results highlights the strengths and limitations of the experimental and numerical analyses in the characterization of HAHT. Useful guidelines for developing experimental flume scale data and using them for validating numerical tools, as well as for performing a similar type of analysis and design validation of full scale devices as pilot projects start to go in the water in the United States, are provided.

13 HYDRO ENERGY↗

NASA NTRS1991

Neural Architectures for Control

The cerebellar model articulated controller (CMAC) neural architectures are shown to be viable for the purposes of real-time learning and control. Software tools for the exploration of CMAC performance are developed for three hardware platforms, the MacIntosh, the IBM PC, and the SUN workstation. All algorithm development was done using the C programming language. These software tools were then used to implement an adaptive critic neuro-control design that learns in real-time how to back up a trailer truck. The truck backer-upper experiment is a standard performance measure in the neural network literature, but previously the training of the controllers was done off-line. With the CMAC neural architectures, it was possible to train the neuro-controllers on-line in real-time on a MS-DOS PC 386. CMAC neural architectures are also used in conjunction with a hierarchical planning approach to find collision-free paths over 2-D analog valued obstacle fields. The method constructs a coarse resolution version of the original problem and then finds the corresponding coarse optimal path using multipass dynamic programming. CMAC artificial neural architectures are used to estimate the analog transition costs that dynamic programming requires. The CMAC architectures are trained in real-time for each obstacle field presented. The coarse optimal path is then used as a baseline for the construction of a fine scale optimal path through the original obstacle array. These results are a very good indication of the potential power of the neural architectures in control design. In order to reach as wide an audience as possible, we have run a seminar on neuro-control that has met once per week since 20 May 1991. This seminar has thoroughly discussed the CMAC architecture, relevant portions of classical control, back propagation through time, and adaptive critic designs.

Peterson, James K.↗

NASA NTRS1995

The NAS Computational Aerosciences Archive

In order to further the state-of-the-art in computational aerosciences (CAS) technology, researchers must be able to gather and understand existing work in the field. One aspect of this information gathering is studying published work available in scientific journals and conference proceedings. However, current scientific publications are very limited in the type and amount of information that they can disseminate. Information is typically restricted to text, a few images, and a bibliography list. Additional information that might be useful to the researcher, such as additional visual results, referenced papers, and datasets, are not available. New forms of electronic publication, such as the World Wide Web (WWW), limit publication size only by available disk space and data transmission bandwidth, both of which are improving rapidly. The Numerical Aerodynamic Simulation (NAS) Systems Division at NASA Ames Research Center is in the process of creating an archive of CAS information on the WWW. This archive will be based on the large amount of information produced by researchers associated with the NAS facility. The archive will contain technical summaries and reports of research performed on NAS supercomputers, visual results (images, animations, visualization system scripts), datasets, and any other supporting meta-information. This information will be available via the WWW through the NAS homepage, located at http://www.nas.nasa.gov/, fully indexed for searching. The main components of the archive are technical summaries and reports, visual results, and datasets. Technical summaries are gathered every year by researchers who have been allotted resources on NAS supercomputers. These summaries, together with supporting visual results and references, are browsable by interested researchers. Referenced papers made available by researchers can be accessed through hypertext links. Technical reports are in-depth accounts of tools and applications research projects performed by NAS staff members and collaborators. Visual results, which may be available in the form of images, animations, and/or visualization scripts, are generated by researchers with respect to a certain research project, depicting dataset features that were determined important by the investigating researcher. For example, script files for visualization systems (e.g. FAST, PLOT3D, AVS) are provided to create visualizations on the user's local workstation to elucidate the key points of the numerical study. Users can then interact with the data starting where the investigator left off. Datasets are intended to give researchers an opportunity to understand previous work, 'mine' solutions for new information (for example, have you ever read a paper thinking "I wonder what the helicity density looks like?"), compare new techniques with older results, collaborate with remote colleagues, and perform validation. Supporting meta-information associated with the research projects is also important to provide additional context for research projects. This may include information such as the software used in the simulation (e.g. grid generators, flow solvers, visualization). In addition to serving the CAS research community, the information archive will also be helpful to students, visualization system developers and researchers, and management. Students (of any age) can use the data to study fluid dynamics, compare results from different flow solvers, learn about meshing techniques, etc., leading to better informed individuals. For these users it is particularly important that visualization be integrated into dataset archives. Visualization researchers can use dataset archives to test algorithms and techniques, leading to better visualization systems, Management can use the data to figure what is really going on behind the viewgraphs. All users will benefit from fast, easy, and convenient access to CFD datasets. The CAS information archive hopes to serve as a useful resource to those interested in computational sciences. At present, only information that may be distributed internationally is made available via the archive. Studies are underway to determine security requirements and solutions to make additional information available. By providing access to the archive via the WWW, the process of information gathering can be more productive and fruitful due to ease of access and ability to manage many different types of information. As the archive grows, additional resources from outside NAS will be added, providing a dynamic source of research results.

Miceli, Kristina D.↗

NASA NTRS2012

Concurrent Mission and Systems Design at NASA Glenn Research Center: The Origins of the COMPASS Team

Established at the NASA Glenn Research Center (GRC) in 2006 to meet the need for rapid mission analysis and multi-disciplinary systems design for in-space and human missions, the Collaborative Modeling for Parametric Assessment of Space Systems (COMPASS) team is a multidisciplinary, concurrent engineering group whose primary purpose is to perform integrated systems analysis, but it is also capable of designing any system that involves one or more of the disciplines present in the team. The authors were involved in the development of the COMPASS team and its design process, and are continuously making refinements and enhancements. The team was unofficially started in the early 2000s as part of the distributed team known as Team JIMO (Jupiter Icy Moons Orbiter) in support of the multi-center collaborative JIMO spacecraft design during Project Prometheus. This paper documents the origins of a concurrent mission and systems design team at GRC and how it evolved into the COMPASS team, including defining the process, gathering the team and tools, building the facility, and performing studies.

McGuire, Melissa L.↗

NASA NTRS1994

A graphic system for telemetry monitoring and procedure performing at the Telecom SCC

The increasing amount of telemetry parameters and the increasing complexity of procedures used for the in-orbit satellite follow-up has led to the development of new tools for telemetry monitoring and procedures performing. The name of the system presented here is Graphic Server. It provides an advanced graphic representation of the satellite subsystems, including real-time telemetry and alarm displaying, and a powerful help for decision making with on line contingency procedures. Used for 2.5 years at the TELECOM S.C.C. for procedure performing, it has become an essential part of the S.C.C.

Loubeyre, Jean Philippe↗

DOE OSTI2026

scPlantAnnotate: an accurate and robust transformer-based model for plant cell type annotation

Accurate cell type annotation remains a major bottleneck in plant single-cell RNA sequencing (scRNA-seq), where existing tools are often adapted from animal studies and perform sub-optimally on plant data. The lack of plant-specific computational frameworks limits the construction of plant cell atlases and downstream biological discovery. We develop and evaluate scPlantAnnotate, a Transformer-based reference annotation framework tailored for plant scRNA-seq data, and benchmark it against state-of-the-art deep learning and conventional methods across multiple plant species. Species-specific scPlantAnnotate models were trained using curated datasets from Arabidopsis thaliana, Zea mays, Oryza sativa, and Glycine max. We compared scPlantAnnotate with leading baselines under both standard random-split evaluation and a more stringent leave-one-dataset-out setting, which tests robustness to completely unseen datasets and tissue types. scPlantAnnotate consistently outperforms existing approaches across all four species under random-split evaluation. In the leave-one-dataset-out setting for A. thaliana, where performance drops markedly for all methods due to strong batch effects and dataset heterogeneity, scPlantAnnotate nonetheless achieves the highest Accuracy, Macro-F1, Balanced Accuracy, and Macro-AUROC on average and ranks first on most held-out datasets. These results demonstrate improved robustness to dataset shifts, a critical yet underexplored challenge in plant scRNA-seq analysis. A freely accessible web server enables users to annotate their own datasets using pretrained models. scPlantAnnotate provides a plant-specific, Transformer-based framework for single-cell annotation that delivers state-of-the-art performance and enhanced robustness to unseen datasets. By addressing limitations of existing tools and enabling scalable reference-based annotation, scPlantAnnotate supports the development of comprehensive plant cell atlases and facilitates broader use of single-cell genomics in plant biology.

Bioinformatics↗

DOE OSTI2023

Building the I (Interoperability) of FAIR for performance reproducibility of large-scale composable workflows in RECUP

Abstract-Scientific computing communities increasingly run their experiments using complex data- and compute-intensive workflows that utilize distributed and heterogeneous architectures targeting numerical simulations and machine learning, often executed on the Department of Energy Leadership Computing Facilities (LCFs). We argue that a principled, systematic approach to implementing FAIR principles at scale, including fine-grained metadata extraction and organization, can help with the numerous challenges to performance reproducibility posed by such workflows. We extract workflow patterns, propose a set of tools to manage the entire life cycle of performance metadata, and aggregate them in an HPC-ready framework for reproducibility (RECUP). We describe the challenges in making these tools interoperable, preliminary work, and lessons learned from this experiment.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Making Compiler-Based Tools Accessible Online

Compiler-based tools are widely used to analyze and optimize source codes for many purposes, including extracting insights about applications’ properties or restructuring code for better performance. However, using compiler-based tools is often difficult due to tedious and error-prone steps to configure and install such tools on various machines. In this paper, we describe a solution to use CGI + Bash to expose compilerbased tools to a web page so users can directly use these tools without installing them.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Making Compiler-Based Tools Accessible Online

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Development of Graphite Thermal and Mechanical Modeling Capabilities in Grizzly

Nuclear-grade graphites are used extensively in the core designs of multiple types of advanced nuclear reactors. In the reactor environment, graphite is exposed over long durations to extreme conditions, including high temperatures, radiation and potentially molten salt and oxygen. Exposure to these conditions can cause several degradation mechanisms in graphite, including nonuniform volumetric strains induced by irradiation and thermal expansion, which lead to stresses that can compromise the performance of graphite components. Evaluating component integrity, predicting component performance over the reactor lifetime, and developing design standards all require robust tools for predicting fracture initiation and propagation in graphite structural components in nuclear reactors. This report documents progress in an ongoing effort to develop modeling and simulation tools in the Grizzly code for predicting the performance of graphite exposed to reactor conditions. Recent developments include a set of thermal and mechanical models that now include the IG-110, NBG-18, and H-451 graphite grades. Improvements have also been made to a nonlinear damaged plasticity model applicable to predicting damage under tension and compression to quasibrittle materials, including graphite. In addition, enhancements have been made to the extended finite element method implementation targeted at simulating graphite fracture. These include new capabilities for crack nucleation in the interior of a solid body, improved treatment of crack nucleation on free surfaces, and more robust modeling approaches for crack growth approaching free surfaces or other cracks.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Commercialization of a Non-Intrusive Optical (NIO) Technology to Measure Heliostat Optical Errors in Utility-Scale Concentrating Solar Power Plants: Final TCF Report

The drone-based Non-Intrusive Optical (NIO) Technology has been developed at NREL to allow for efficient and automated optical characterization of heliostats in Concentrating Solar Power (CSP) plants. For this project, the technology will be developed into a commercial tool package, including software and user-interface (UI), operations manual, and training and support services. The project team will partner with Tietronix to perform market assessment and stakeholder engagement, develop the tool package and business model, and perform data collection and analysis to demonstrate and refine the capabilities for use at a commercial plant. The team will collaborate with a commercial plant to conduct the data collection operations and provide optical error deliverables. The goal of the project is to advance the commercialization of the technology to a stage where a beta version can be demonstrated at additional commercial plants and developed into a licensable product.

14 SOLAR ENERGY↗

NASA NTRS1990

Flight set 360T004 (STS-30)

The performance of 360T004, Forth Flight, Redesigned Solid Rocket Motors (RSRM) is assessed in respect to joint sealing issues as seen from post-test inspection of the seals and sealing surfaces. The factory joint disassembly inspections for this flight set were omitted. The decision was based on the rational that there is sufficient information in the present data base, and this would give H-7 refurbishment operations faster turn around time for this set of hardware. The factory joint disassembly inspections will resume for 360H005, Fifth Flight, through 360L007, Seventh Flight, due to a new grease application being in effect during the assembly process. The left hand nozzle was forced into the snubbed position upon splash down. This required unique tooling to be manufactured to perform the disassembly of the internal nozzle joints. This was completed on February 5 and 6, 1990 at the H-5 Clearfield, Utah facility. The RSRM consisting of capture feature, field joints with the J-joint insulation configuration is illustrated. The nozzle-to-case joint design, which includes 100, 7/8-inch radial bolts in conjunction with a wiper O-ring and modified insulation design is also illustrated, as is the ignition system seals and a cross section of the igniter. The configuration of all internal nozzle joints is shown.

Nelsen, Lowell V.↗

NASA NTRS2010

Assessing the Hydrologic Performance of the EPA's Nonpoint Source Water Quality Assessment Decision Support Tool Using North American Land Data Assimilation System (Products)

The accuracy of streamflow predictions in the EPA's BASINS (Better Assessment Science Integrating Point and Nonpoint Sources) decision support tool is affected by the sparse meteorological data contained in BASINS. The North American Land Data Assimilation System (NLDAS) data with high spatial and temporal resolutions provide an alternative to the NOAA National Climatic Data Center (NCDC)'s station data. This study assessed the improvement of streamflow prediction of the Hydrological Simulation Program-FORTRAN (HSPF) model contained within BASINS using the NLDAS 118 degree hourly precipitation and evapotranspiration estimates in seven watersheds of the Chesapeake Bay region. Our results demonstrated consistent improvements of daily streamflow predictions in five of the seven watersheds when NLDAS precipitation and evapotranspiration data was incorporated into BASINS. The improvement of using the NLDAS data is significant when watershed's meteorological station is either far away or not in a similar climatic region. When the station is nearby, using the NLDAS data produces similar results. The correlation coefficients of the analyses using the NLDAS data were greater than 0.8, the Nash-Sutcliffe (NS) model fit efficiency greater than 0.6, and the error in the water balance was less than 5%. Our analyses also showed that the streamflow improvements were mainly contributed by the NLDAS's precipitation data and that the improvement from using NLDAS's evapotranspiration data was not significant; partially due to the constraints of current BASINS-HSPF settings. However, NLDAS's evapotranspiration data did improve the baseflow prediction. This study demonstrates the NLDAS data has the potential to improve stream flow predictions, thus aid the water quality assessment in the EPA nonpoint water quality assessment decision tool.

Lee, S.↗

NASA NTRS2014

Extending Our Understanding of Compliant Thermal Barrier Performance

Thermal barriers and seals are integral components in the thermal protection systems (TPS) of nearly all aerospace vehicles. They are used to minimize the flow of hot gases through interfaces and protect underlying temperature-sensitive components and systems. Although thermal barriers have been used extensively on many aerospace vehicles, the factors affecting their thermal and mechanical performance are not well-understood. Because of this, vehicle TPS designers are often left with little guidance on how to properly design and optimize these barriers. An ongoing effort to better understand thermal barrier performance and develop models and design tools is in progress at the NASA Glenn Research Center. Testing has been conducted to understand the degree to which insulation density influences structural performance and permeability. In addition, the development of both thermal and mechanical models is ongoing with the goal of providing an improved ability to design and implement these critical TPS components.

high temperature↗

DOE OSTI2019

Demonstration of Bison/TRACE Coupling (CRAB) Through Validation Case LOFT L2-5

The postulated pressurized water reactor (PWR) accident known as a large-break loss of coolant accident (LOCA) is still of great concern to the current nuclear reactor fleet. Research through experiments, modeling, and simulation is active in the field of LOCAs and new modeling tools are under continuous development. The BISON fuel performance code, developed at the Idaho National Laboratory (INL), is one such tool that has been very active in the development of models and the simulation of accidents. With recent model developments, Bison has been used to simulate LOCA cladding burst experiments and full integral LOCA experiments with favorable results. Bison is a thermomechanical code that must be fed boundary conditions (BC) for phenomena occurring outside of the fuel rod. These BCs include moderator or outer cladding temperature, coolant pressure, and rod linear power or neutron flux. These BCs can be supplied from a function or, preferably, another coupled code. Bison is built on the Multiphysics Object Oriented Simulation Environment (MOOSE) framework which allows for ease of code coupling. A framework is currently in place that allows codes external to MOOSE to communicate with MOOSE applications as if they were a MOOSE application. Through a recent MOOSE/BISON development, with collaboration from the U.S. Nuclear Regulatory Commission (NRC), BISON has been coupled with the NRC system code TRAC/RELAP Advanced Computational Engine (TRACE). Simulation results of the initial validation loss of flow test (LOFT) L2-5 case from this research will be presented.

42 ENGINEERING↗