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DOE OSTI2020

Tracking Radioactive Isotopes in HVAC and Application for Hot Cell Analyses - 20155

In recent years, the surge in the number of isotope production facilities under design has increased the need to analyze isotope migration in facility Heating, Ventilation, and Air Conditioning (HVAC) during normal operations and accident scenarios. These facilities are used to produce isotopes for medical, security, and industrial applications and as such are subject to license and regulatory requirements 10CFR20, 10CFR30, 10CFR50, and 10CFR70. GOTHIC, a general-purpose thermal-hydraulics software package, includes the ability to model isotopic tracers, radioactive decay and isotope migration as well as HEPA and charcoal filters for isotope retention. A GOTHIC model was developed by Zachry Nuclear Engineering (ZNE) to examine the effect of negative room pressure, HEPA filtration, and HVAC fluctuations on radiation areas, hot cells and gloveboxes. Radioactive tracers were used to simulate the concentration of spills within contaminated areas, track the migration of isotopes of interest, and determine the isotopic retention and buildup on facility HEPA filters. A variety of isotopes with concern to dose (e.g., Kr-85, Sr-90, I-131, etc.), including their decay and progeny, are included in the analysis. Negative pressures are maintained in the regions of interest by a representative central HVAC system equipped with a volumetric fan that exhausts to the environment after a series of isolation valves and HEPA filters. GOTHIC is an industry trusted tool for providing engineering solutions for a variety of applications, including fission product tracking, aerosol and particulate transport and ventilation assessments. The software provides an integrated analysis environment that includes a graphical user interface (GUI) for constructing analysis models, a numerical solver that includes parallel processing capabilities and a post-processor for evaluating simulation results. It solves the conservation equations for mass, momentum and energy for multicomponent, multi-phase flow in lumped parameter and multi-dimensional geometries (1, 2, or full 3D), including the effects of turbulence, diffusion and buoyancy. It has been developed and maintained under a Quality Assurance program in compliance with the requirements of 10CFR50 Appendix B and applicable portions of ASME NQA-1 since 1995. GOTHIC has been used for assessing both forced and natural convection conditions for a wide range of applications, including: - Tracking concentration of hazardous gases and chemicals for habitability and safety assessments - Determining ventilation and filtration requirements and optimizing location and arrangement of these systems - Room heat-up, including diverse and Flexible coping strategies for Extended Loss of AC Power (FLEX/ELAP) - Equipment Qualification (EQ) A distinctive feature of GOTHIC is the ability to track many different fields/substances in a simulation, including user defined tracer elements, in the liquid, vapor and droplet fields as well as surfaces and filters. This capability allows GOTHIC to model fission product transport and release or the removal of particulates or harmful toxins from exhaust gases using a spray scrubber or other types of filtration systems. GOTHIC also includes models for engineered equipment, such as fans, filters, charcoal filters, dryers/demisters, dampers, etc. The aerosols and other filtered material are removed or accumulated in these components. The range of aerosol and radiological applications that GOTHIC has been used for includes: - Source Term: Primary Coolant (Equilibrium) Activity; Non-Water Coolant Source/Leakage. - Conditions for Iodine Re-evolution: Sump/Suppression Pool Conditions and pH; - RWST Conditions and pH. - Isotope Removal Mechanisms: Containment Sprayed and Unsprayed Region Mixing; Charcoal Filter Heating due to Iodine decay. - Radionuclide Transport and Decay: Post-LOCA Release in containment; Transport between connected Compartments and vent systems; Groundwater transport of radionuclides. - Non-Newtonian Fluid modeling for sludge, waste tanks, etc. ADAMS ML071581053 (titled 'Best Practice Guidelines for the use of CFD in Nuclear Reactor Safety Applications') poses guidelines for applying single phase CFD codes in nuclear reactor safety problems and GOTHIC is listed as a 'tool for 3D flows' and 'dispersal and deposition of radionuclides.' The Nuclear Quality Assurance (NQA) pedigree of GOTHIC is an important aspect for applications in the nuclear industry. The fundamental tracer models (convective transport, molecular and turbulent diffusion, removal mechanisms, etc.) have been verified using analytical solutions and validated against applicable separate effects tests. Also, GOTHIC has been benchmarked to many integrated effects tests, including Phebus FP (Fission Product). GOTHIC gives good agreement for the buildup and decay of fission products in Phebus Test 3. The model developed by ZNE demonstrates GOTHIC's applicability and acceptability for use in analyzing the migration and retention of radioactive isotopes and their progeny in normal operation and accident scenario analyses for isotope production facilities, hot cells, and gloveboxes. The tracer activities calculated by GOTHIC can then be used in downstream radiation transport and shielding codes like RADTRAD-NAI{sup C}, MCNP{sup R}, and MicroShield{sup R} to determine on-site and of-site doses. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS2003

Overview of the SAE G-11 RMSL (Reliability, Maintainability, Supportability, and Logistics) Division Activities and Technical Projects

The SAE G-11 RMSL (Reliability, Maintainability, Supportability, and Logistics) Division activities include identification and fulfillment of joint industry, government, and academia needs for development and implementation of RMSL technologies. Four Projects in the Probabilistic Methods area and two in the area of RMSL have been identified. These are: (1) Evaluation of Probabilistic Technology - progress has been made toward the selection of probabilistic application cases. Future effort will focus on assessment of multiple probabilistic softwares in solving selected engineering problems using probabilistic methods. Relevance to Industry & Government - Case studies of typical problems encountering uncertainties, results of solutions to these problems run by different codes, and recommendations on which code is applicable for what problems; (2) Probabilistic Input Preparation - progress has been made in identifying problem cases such as those with no data, little data and sufficient data. Future effort will focus on developing guidelines for preparing input for probabilistic analysis, especially with no or little data. Relevance to Industry & Government - Too often, we get bogged down thinking we need a lot of data before we can quantify uncertainties. Not True. There are ways to do credible probabilistic analysis with little data; (3) Probabilistic Reliability - probabilistic reliability literature search has been completed along with what differentiates it from statistical reliability. Work on computation of reliability based on quantification of uncertainties in primitive variables is in progress. Relevance to Industry & Government - Correct reliability computations both at the component and system level are needed so one can design an item based on its expected usage and life span; (4) Real World Applications of Probabilistic Methods (PM) - A draft of volume 1 comprising aerospace applications has been released. Volume 2, a compilation of real world applications of probabilistic methods with essential information demonstrating application type and timehost savings by the use of probabilistic methods for generic applications is in progress. Relevance to Industry & Government - Too often, we say, 'The Proof is in the Pudding'. With help from many contributors, we hope to produce such a document. Problem is - not too many people are coming forward due to proprietary nature. So, we are asking to document only minimum information including problem description, what method used, did it result in any savings, and how much?; (5) Software Reliability - software reliability concept, program, implementation, guidelines, and standards are being documented. Relevance to Industry & Government - software reliability is a complex issue that must be understood & addressed in all facets of business in industry, government, and other institutions. We address issues, concepts, ways to implement solutions, and guidelines for maximizing software reliability; (6) Maintainability Standards - maintainability/serviceability industry standard/guidelines and industry best practices and methodologies used in performing maintainability/ serviceability tasks are being documented. Relevance to Industry & Government - Any industry or government process, project, and/or tool must be maintained and serviced to realize the life and performance it was designed for. We address issues and develop guidelines for optimum performance & life.

Singhal, Surendra N.↗

DOE OSTI2021

WaterTAP 0.3 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

IDAES↗

DOE OSTI2022

More Tools for Visualization and Analysis of Small-Angle Neutron Scattering Data: Descriptions and Examples

With the adoption of drtsans as the data reduction software for the GP-SANS, Bio-SANS and EQ-SANS instruments at ORNL, tools for data visualization and analysis that can be integrated into drtsans scripts are needed to further improve the user experience. New tools that do not need to be incorporated directly into data reduction scripts can also positively impact users during their experiments. In this report, a new set of tools is presented that complements the previous set released. The set includes tools for both fitting data and for visualizing data.

42 ENGINEERING↗

NASA NTRS2003

Free-Flowing Solutions for CFD

Licensed to over 1,500 customers worldwide, an advanced computational fluid dynamics (CFD) post-processor with a quick learning curve is consistently providing engineering solutions, with just the right balance of visual insight and hard data. FIELDVIEW is the premier product of JMSI, Inc., d.b.a. Intelligent Light, a woman-owned, small business founded in 1994 and located in Lyndhurst, New Jersey. In the early 1990s, Intelligent Light entered into a joint development contract with a research based company to commercialize the post-processing FIELDVIEW code. As Intelligent Light established itself, it purchased the exclusive rights to the code, and structured its business solely around the software technology. As a result, it is enjoying profits and growing at a rate of 25 to 30 percent per year. Advancements made from the earliest commercial launch of FIELDVIEW, all the way up to the recently released versions 8 and 8.2 of the program, have been backed by research collaboration with NASA's Langley Research Center, where some of the world's most progressive work in transient (also known as time-varying) CFD takes place.

Source record↗

NASA NTRS2003

Universal Responses of Cyclic-Oxidation Models Studied

Oxidation is an important degradation process for materials operating in the high-temperature air or oxygen environments typical of jet turbine or rocket engines. Reaction of the combustion gases with the component material forms surface layer scales during these oxidative exposures. Typically, the instantaneous rate of reaction is inversely proportional to the existing scale thickness, giving rise to parabolic kinetics. However, more realistic applications entail periodic startup and shutdown. Some scale spallation may occur upon cooling, resulting in loss of the protective diffusion barrier provided by a fully intact scale. Upon reheating, the component will experience accelerated oxidation due to this spallation. Cyclic-oxidation testing has, therefore, been a mainstay of characterization and performance ranking for high-temperature materials. Models simulate this process by calculating how a scale spalls upon cooling and regrows upon heating (refs. 1 to 3). Recently released NASA software (COSP for Windows) allows researchers to specify a uniform layer or discrete segments of spallation (ref. 4). Families of model curves exhibit consistent regularity and trends with input parameters, and characteristic features have been empirically described in terms of these parameters. Although much insight has been gained from experimental and model curves, no equation has been derived that can describe this behavior explicitly as functions of the key oxidation parameters.

Smialek, James L.↗

NASA NTRSDate not supplied

Micrometeoroid and Orbital Debris (MMOD) Testing, Ballistic Limit Definition and Risk Assessment of the Exploration Extravehicular Mobility Unit (xEMU)

A well-known hazard associated with exposure to the space environment is the risk of failure due to an impact from a micrometeoroid and orbital debris (MMOD) particle. As NASA prepares to return astronauts to the moon with the Artemis program, the next generation of spacesuit is in development to support future extravehicular activities (EVAs.) An MMOD impact to the spacesuit is of great concern as a large leak could prevent an astronaut from safely reaching an airlock in time resulting in a loss of life. The exploration extravehicular mobility unit (xEMU) must meet MMOD requirements for multiple environments including those in low earth orbit (LEO) as well as the meteoroid and secondary lunar regolith ejecta environments found on the lunar surface. The subject of this paper is an internal xEMU configuration design developed by NASA Johnson Space Center (JSC) personnel. The xEMU shares similarities with the legacy Extravehicular Mobility Unit (EMU) spacesuit that is currently used for ISS EVAs, however differences in the layup (e.g., materials, thicknesses, and layers) of the fabric environmental protection garment (EPG), portable life support system (xPLSS) and helmet required an extensive test program to determine ballistic performance. Over 100 hypervelocity impact (HVI) tests were performed by the NASA/JSC HVIT and White Sands Test Facility (WSTF) teams on the xEMU EPG, xPLSS and helmet to generate ballistic limit equations (BLEs) for MMOD impacts. Additionally, over 50 low speed tests (< 1km/s) were performed by the NASA/JSC HVIT and Southwest Research Institute (SwRI) teams on the xEMU EPG, xPLSS and helmet to generate BLEs for lunar ejecta impacts. Post testing, ballistic limit equations (BLEs) used to define the performance of the various regions on the xEMU spacesuit were developed from a generic set of BLEs. The HVI and low speed testing was performed to establish a physical basis for the equations with the coefficients and exponents of the generic BLEs adjusted to fit the test data. The xEMU BLEs were added to the NASA/JSC software application used for spacecraft MMOD risk assessments (BUMPER-3). A finite element model (FEM) of the xEMU spacesuit, which defines the size and shape of the spacesuit as well as the locations of the various shielding configurations, was created based on a solid model provided by the xEMU program office. Using the FEM file and added xEMU BLEs, BUMPER-3 assessments of the xEMU spacesuit for probability of no penetration (PNP) were performed. For the LEO assessment of a typical ISS EVA, the orbital debris and meteoroids environments were defined using the latest engineering models, ORDEM 3.2 and MEM-3 respectively. The lunar surface assessment again used the MEM-3 engineering model to define the meteoroid environment along with the current released lunar surface ejecta model, NASA SP-8013 (developed during the Apollo Program). The Space Team in the Natural Environments Branch at Marshall Space Flight Center (MSFC) will soon release the new Lunar Meteoroid Ejecta Engineering Model (LMEEM), at which time the xEMU lunar surface EVA will be reassessed. Assessment of the MMOD risk for an 8-hour, 2-person EVA in both LEO and on the lunar surface showed that the xEMU spacesuit meets the program technical requirement of 1 in 2500 failure odds. Similar to the legacy EMU spacesuit, the majority of the MMOD risk (96% of the LEO EVA risk and 99% of the lunar surface EVA risk) is concentrated in regions of xEMU that are comprised primarily of softgoods (arms, legs, and gloves) rather than the hardgoods (xPLSS, hard upper torso and helmet).

Micrometeoroid↗

NASA NTRSDate not supplied

The Completion of a Geosynchronous Earth Orbit Survey with the Eugene Stansbery-Meter Class Autonomous Telescope

The Eugene Stansbery-Meter Class Autonomous Telescope (ES-MCAT) is the primary optical sensor used by the NASA Orbital Debris Program Office (ODPO) to statistically characterize the geosynchronous Earth orbit (GEO) debris environment and support future Orbital Debris Engineering Model (ORDEM) releases. The ES-MCAT completed its first optical survey of the GEO region from 2020 to 2022. The primary goal of this survey was to autonomously collect and process GEO data with calculated photometric and astrometric uncertainties. A pointing plan was developed to provide uniform sampling within the region of interest (ROI) while accounting for predicted downtime due to insufficient observing conditions. Detections are autonomously correlated to the Space Surveillance Network (SSN) catalog to determine if objects are correlated targets (CTs) or uncorrelated targets (UCTs), the latter of which are of interest for modeling the GEO orbital debris environment. To assess the size detection sensitivity over time and monitor the general performance of the telescope’s optics and software, the optical throughput of the system and limiting magnitudes are evaluated on a routine basis. While the telescope’s ability to operate autonomously and remotely allowed for the GEO survey to continue throughout the COVID-19 pandemic, travel restrictions hampered routine cleaning of the optics during this time, and the primary mirror degraded enough to require recoating. The mirror was removed in 2022, concluding the first GEO survey. The primary mirror received a new coating designed to be more robust against the harsh environment surrounding the ES-MCAT’s location on Ascension Island, accounting for experience gained during operations over the first GEO survey. In early 2023, the recoated primary mirror was reinstalled, and the second GEO survey was initiated. The primary goal of the second GEO survey is to characterize the evolving GEO debris environment with updated optics, software, and pointing strategies while allowing for the inclusion of non-GEO regimes or those that are outside of the ROI. While the pointing method implemented in the first survey allowed for adequate coverage of the ROI over two years, it has been improved to include pointings that avoid the Moon’s position and the galactic plane to reduce software processing time and maximize the detection capabilities of fainter objects. This method also accounts for the changing weather patterns throughout the year and reduces coverage gaps in the ROI. Provided the success of the first two-year GEO survey using autonomous operations, the ODPO is actively collaborating with the United States Space Force (USSF) to make the ES-MCAT a contributing sensor to the SSN. This paper presents results from the first GEO survey including magnitude distributions and orbital parameters for CTs and UCTs. Details are provided for the automated processing pipeline and the optical system throughput for the previous and current primary mirror coatings. In addition, an updated strategy for the second GEO survey to optimize coverage over the ROI is discussed, as are preliminary results from the ongoing second survey.

Corbin Cruz↗

NASA NTRSDate not supplied

The Completion of a Geosynchronous Earth Orbit Survey with the Eugene Stansbery-Meter Class Autonomous Telescope

Corbin Cruz↗

DOE OSTI2024

From Sim to Real: A Pipeline for Training and Deploying Traffic Smoothing Cruise Controllers

Designing and validating controllers for connected and automated vehicles to enhance traffic flow presents significant challenges, from the complexity of replicating real-world stop-and-go traffic dynamics in simulation, to the intricacies involved in transitioning from simulation to actual deployment. In this work, we present a full pipeline from data collection to controller deployment. Specifically, we collect 772 km of driving data from the I-24 in Tennessee, and use it to build a one-lane simulator, placing simulated vehicles behind real-world trajectories. Using policy-gradient methods with an asymmetric critic, we improve fuel efficiency by over 10% when simulating congested scenarios. Our comprehensive approach includes reinforcement learning for controller training, software verification, hardware validation and setup, and navigating various sim-to-real challenges. Furthermore, we analyze the controller's behavior and wave-smoothing properties, and deploy it on four Toyota Rav4’s in a real-world validation experiment on the I-24. Lastly, we release the driving dataset, the simulator and the trained controller, to enable future benchmarking and controller design.

42 ENGINEERING↗

NASA NTRS1979

Mail LOG: Program operating instructions

The operating instructions for the software package, MAIL LOG, developed for the Scout Project Automatic Data System, SPADS, are provided. The program is written in FORTRAN for the PRIME 300 computer system. The MAIL LOG program has the following four modes of operation: (1) INPUT - putting new records into the data base (2) REVISE - changing or modifying existing records in the data base (3) SEARCH - finding special records existing in the data base (4) ARCHIVE - store or put away existing records in the data base. The output includes special printouts of records in the data base and results from the INPUT and SEARCH modes. The MAIL LOG data base consists of three main subfiles: Incoming and outgoing mail correspondence; Design Information Releases and Releases and Reports; and Drawings and Engineering orders.

Harris, D. K.↗

NASA NTRSDate not supplied

Micrometeoroid and Orbital Debris (MMOD) Testing, Ballistic Limit Equation Definition and Risk Assessment of the Exploration Extravehicular Mobility Unit (xEMU)

A well-known hazard associated with exposure to the space environment is the risk of failure due to an impact from a micrometeoroid and orbital debris (MMOD) particle. As NASA prepares to return astronauts to the moon with the Artemis program, the next generation of spacesuit is in development to support future extravehicular activities (EVAs.) An MMOD impact to the spacesuit is of great concern as a large leak could prevent an astronaut from safely reaching an airlock in time resulting in a loss of life. The exploration extravehicular mobility unit (xEMU) must meet MMOD requirements for multiple environments including those in low earth orbit (LEO) as well as the meteoroid and secondary lunar regolith ejecta environments found on the lunar surface. The subject of this paper is an internal xEMU configuration design developed by NASA Johnson Space Center (JSC) personnel. This paper will expand on the hypervelocity impact (HVI) testing and ballistic limit equation (BLE) definition work that was partially presented at the 2nd International Orbital De-bris (IOC-II) Conference held in Sugar Land, TX in December 2023. The xEMU shares similarities with the legacy Extravehicular Mobility Unit (EMU) spacesuit that is currently used for ISS EVAs, however differences in the layup (e.g., materials, thicknesses, and layers) of the fabric environmental protection garment (EPG), portable life support system (xPLSS) and helmet required an extensive test program to determine ballistic performance. Over 100 hypervelocity impact (HVI) tests were performed by the NASA/JSC HVIT and White Sands Test Facility (WSTF) teams on the xEMU EPG, xPLSS and helmet to generate ballistic limit equations (BLEs) for MMOD impacts. Additionally, over 50 low speed tests (< 1km/s) were performed by the NASA/JSC HVIT and Southwest Research Institute (SwRI) teams on the xEMU EPG, xPLSS and helmet to generate BLEs for lunar ejecta impacts. Post testing, ballistic limit equations used to define the performance of the various regions on the xEMU spacesuit were developed from a generic set of BLEs. The HVI and low speed testing was performed to establish a physical basis for the equations with the co-efficients and exponents of the generic BLEs adjusted to fit the test data. The xEMU BLEs were added to the NASA/JSC software application used for space-craft MMOD risk assessments (BUMPER-3). A finite element model (FEM) of the xEMU spacesuit, which defines the size and shape of the spacesuit as well as the locations of the various shielding configurations, was created based on a solid model provided by the xEMU program office. Using the FEM file and added xEMU BLEs, BUMPER-3 assessments of the xEMU spacesuit for probability of no penetration (PNP) were performed. For the LEO assessment of a typical ISS EVA, the orbital debris and meteoroids environments were defined using the latest engineering models, ORDEM 3.2 and MEM-3 respectively. The lunar sur-face assessment again used the MEM-3 engineering model to define the meteoroid environ-ment along with the current released lunar surface ejecta model, NASA SP-8013 (developed during the Apollo Program). The Space Team in the Natural Environments Branch at Mar-shall Space Flight Center (MSFC) will soon release the new Lunar Meteoroid Ejecta Engineering Model (LMEEM), at which time the xEMU lunar surface EVA will be reassessed. Assessment of the MMOD risk for an 8-hour, 2-person EVA in both LEO and on the lunar surface showed that the xEMU spacesuit meets the program technical requirement of 1 in 2500 failure odds. Similar to the legacy EMU spacesuit, the majority of the MMOD risk (96% of the LEO EVA risk and 99% of the lunar surface EVA risk) is concentrated in regions of xEMU that are comprised primarily of softgoods (arms, legs, and gloves) rather than the hardgoods (xPLSS, hard upper torso and helmet).

Micrometeoroid↗

DOE OSTI2022

WaterTAP 0.4 Release

IDAES↗

DOE OSTI2024

Evaluation of δ-Phase ZrH1.4 to ZrH1.7 Thermal Neutron Scattering Laws Using Ab Initio Molecular Dynamics Simulations

Zirconium hydride is commonly used for next-generation reactor designs due to its excellent hydrogen retention capacity at temperatures below 1000 K. These types of reactors operate at thermal neutron energies and require accurate representation of thermal scattering laws (TSLs) to optimize moderator performance and evaluate the safety indicators for reactor design. In this work, we present an atomic-scale representation of sub-stoichiometric ZrH2−x(0.3≤x≤0.6), which relies on ab initio molecular dynamics (AIMD) in tandem with velocity auto-correlation (VAC) analysis to generate phonon density of states (DOS) for TSL development. The novel NJOY+NCrystal tool, developed by the European Spallation Source community, was utilized to generate the TSL formulations in the A Compact ENDF (ACE) format for its utility in neutron transport software. First, stoichiometric zirconium hydride cross sections were benchmarked with experiments. Then sub-stoichiometric zirconium hydride TSLs were developed. Significant deviations were observed between the new δ-phase ZrH2−x TSLs and the TSLs in the current ENDF release. It was also observed that varying the hydrogen vacancy defect concentration and sites did not cause as significant a change in the TSLs (e.g., ZrH1.4 vs. ZrH1.7) as was caused by the lattice transformation from ϵ- to δ-phase.

42 ENGINEERING↗

DOE OSTI2025

Ultra‐Flexible Pixelated Perovskite Photodetectors Enabled by Honeycomb Polymer Grids for High‐Resolution Imaging

Abstract A nature‐inspired fabrication method based on a photolithography‐free flexible polymer grid is reported for high‐resolution pixelation of perovskite photodiode arrays with exceptional mechanical ductility and a morphology resembling that of natural compound eyes. The resulting pixelated perovskite photosensitive layer has a ≈1 µm pixel size with 2000 Pixels per inch (PPI) resolution when fully assembled as a photodetector array, delivering a detectivity of >10 13 Jones while providing cross‐talk free imaging. Using a polymer grid effectively releases stress on the perovskite platform, greatly increasing the mechanical agility of the otherwise brittle perovskite film. This novel fabrication methodology and device design offer new possibilities for applications in robotics, biomedical imaging, and virtual and augmented reality.

Zheng, Ding [Department of Chemistry and the Mater↗

DOE OSTI2022

A reusable neural network pipeline for unidirectional fiber segmentation

Abstract Fiber-reinforced ceramic-matrix composites are advanced, temperature resistant materials with applications in aerospace engineering. Their analysis involves the detection and separation of fibers, embedded in a fiber bed, from an imaged sample. Currently, this is mostly done using semi-supervised techniques. Here, we present an open, automated computational pipeline to detect fibers from a tomographically reconstructed X-ray volume. We apply our pipeline to a non-trivial dataset by Larson et al . To separate the fibers in these samples, we tested four different architectures of convolutional neural networks. When comparing our neural network approach to a semi-supervised one, we obtained Dice and Matthews coefficients reaching up to 98%, showing that these automated approaches can match human-supervised methods, in some cases separating fibers that human-curated algorithms could not find. The software written for this project is open source, released under a permissive license, and can be freely adapted and re-used in other domains.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Transitioning NWChem to the Next Generation of Manycore Machines

The NorthWest Chemistry (NWChem) modeling software is a popular molecular chemistry simulation software that was designed from the start to work on massively parallel processing supercomputers[6, 28, 49]. It contains an umbrella of modules that today includes Self Consistent Field (SCF), second order Mller-Plesset perturbation theory (MP2), Coupled Cluster, multi-conguration selfconsistent eld (MCSCF), selected conguration interaction (CI), tensor contraction engine (TCE) many body methods, density functional theory (DFT), time-dependent density functional theory (TDDFT), real time time-dependent density functional theory, pseudopotential plane-wave density functional theory (PSPW), band structure (BAND), ab initio molecular dynamics, Car-Parrinello molecular dynamics, classical molecular dynamics (MD), QM/MM, AIMD/MM, GIAO NMR, COSMO, COSMO-SMD, and RISM solvation models, free energy simulations, reaction path optimization, parallel in time, among other capabilities[ 22]. Moreover new capabilities continue to be added with each new release.

Environmental Molecular Sciences Laboratory↗

NASA NTRSDate not supplied

Autonomous Ocean World Exploration: Advancement of a Virtual Testbed

The search for life (extinct or extant) and potentially habitable bodies in our solar system and beyond is one of the 12 priority science questions outlined in the National Acadamies’ 2022 decadal survey [5]. Extraterrestrial destinations containing liquid water present an opportunity to search for life as we know it, and in recent years an increasing number of such locations have been discovered within our solar system. Several Jovian moons—Europa, Ganymede, and Callisto [10]—and the Saturnian moons Enceladus [8] and Titan [9] are known or suspected to harbor massive subsurface oceans. Of these "ocean worlds", Europa is the focus of at least one planned NASA orbiter mission, Europa Clipper [4], and an early lander mission concept, the Europa Lander [2, 3]. Whereas most robotic missions to the Moon and Mars (e.g. orbiters, rovers, landers) to date have had ground controllers on Earth tightly involved in mission operations, missions to more distant worlds will require a high degree of onboard autonomy due to long communication lags and blackouts, harsh environments (radiation, cold), and more limited battery and hardware life. The past decade has seen great advances in both AI technologies and computing scalability and performance that offer promising solutions for spacecraft autonomy and motivate the software system and research programs described in this paper. The Ocean Worlds Autonomy Testbed for Exploration, Research, and Simulation (OceanWATERS) [1], which has been in development at the NASA Ames Research Center since 2018, is a virtual environment for testing lander autonomy solutions. It is built on the Robot Operating System (ROS), runs on consumer-grade Linux workstations, and was released as open source in 2020. OceanWATERS provides a physical and visual simulation of a prototypical lander in a Europa-like environment (Figure 1). The lander was modeled after requirements and specifications made in JPL’s Europa Lander Study of 2016 [3]. Simulated lander systems include stereo cameras and spotlights mounted on an antenna mast that pans and tilts, a 6 degrees of freedom (DoF) robotic arm with a force-torque sensor and two interchangeable end effectors, and a battery pack power system. The environment consists of multiple terrain models including a highly detailed model sourced from the FROST dataset [11], simulation of surrounding planetary bodies based on an ephemeris model, and lighting from the sun with associated surface illumination, reflectance, and shadows. Operations supported by OceanWATERS include panoramic and directed imaging of the environment and lander workspace, Cartesian and joint-level arm commanding, grinding of the terrain surface (e.g. digging a trench), and scooping of ground material (Figure 2) which can be discarded or collected as science samples in a receptacle that can be emptied (science operations themselves are not simulated). These operations are realized as ROS Actions and are complimented by a wide selection of telemetry that is continually produced by each lander subsystem. The power system model is driven by the open-source Generic Software Architecture for Prognostics (GSAP) [11] that predicts the battery’s remaining useful life and other characteristics. As a testbed for high-level autonomy, OceanWATERS provides an execution framework based on PLEXIL [12], an open-source plan specification language and execution engine developed largely at Ames. NASA's initial development of OceanWATERS, as well the Ocean Worlds Lander Autonomy Testbed (OWLAT) [6], a complimentary physical testbed developed at JPL, was the first step in a plan for realizing candidate onboard autonomy solutions for such planetary landers. In 2020 NASA solicited applications for its Autonomous Robotics Research for Ocean Worlds (ARROW) program, and in 2021 the similar Concepts for Ocean worlds Life Detection Technology (COLDTech) program. Collectively six research teams, based in universities and companies across the United States, were awarded grants to develop and demonstrate autonomy solutions on OceanWATERS and OWLAT. These 1–2-year projects have now finished or are nearing completion, and a wide variety of autonomy challenges in ocean world surface missions were addressed. Prototyped and demonstrated solutions have included autonomous discovery, response and adaptation to system faults and unexpected environmental events, world model synthesis through perception, plan synthesis using learned models, methods to optimize sample target selection and prioritize science data transmission, extension of PLEXIL for stochastic decision-making, and an integration of a model of JPL’s mission-ready COLDArm [7]. Technologies used in these projects include many forms of machine learning, causal reasoning, automated planning, Markov decision processes, formal methods, and other advanced techniques. A more detailed summary of the ARROW and COLDTech projects is given herein. OceanWATERS has had significant enhancements since its open-source release in 2020. Many of its new features were driven or shaped by feedback from the ARROW and COLDTech teams and requirements of their projects. In support of enabling autonomous adaptation to spacecraft faults (a specific capability solicited by both programs), a fault injection and detection framework was developed that supports a wide and growing range of fault types such as locked joints, image loss, and battery failures. The power system model was completed and integrated into the simulator, starting as a single-cell battery model and later upgraded to a multi-cell model with associated faults such as cell disconnection. Arm/terrain interaction was improved by adding a force-torque sensor and associated faults, and an analytic dig force model based on the Balovnev bucket force equations. Environment fidelity was increased by modeling terrain deformation resulting from digging and scooping; visual improvements were made in textures, lighting, and shadows. To facilitate interoperation with OWLAT, a unified command and telemetry interface between the testbeds was developed at the ROS level, along with a PLEXIL interface. The number of lander operations was greatly expanded (e.g. with Cartesian-based arm and antenna movement), and a framework was designed for users to build their own lander actions. A GUI for PLEXIL plan selection was created (Figure 3), and an expansive set of plans were added, such as those that illustrate patterns for fault handling. This paper provides a self-contained high-level description of OceanWATERS, focusing on more detailed coverage of the aforementioned enhancements. It provides a high-level summary of the projects undertaken by participants in the ARROW and COLDTech programs and how these efforts have helped shape OceanWATERS. Finally, potential future work and directions for the testbed are listed, as likely informed by the recent planetary science decadal survey [5].

K Michael Dalal↗