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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

HEXPANDO Expanding Head for Fastener-Retention Hexagonal Wrench

The HEXPANDO is an expanding-head hexagonal wrench designed to retain fasteners and keep them from being dislodged from the tool. The tool is intended to remove or install socket-head cap screws (SHCSs) in remote, hard-to-reach locations or in circumstances when a dropped fastener could cause damage to delicate or sensitive hardware. It is not intended for application of torque. This tool is made of two assembled portions. The first portion of the tool comprises tubing, or a hollow shaft, at a length that gives the user adequate reach to the intended location. At one end of the tubing is the expanding hexagonal head fitting with six radial slits cut into it (one at each of the points of the hexagonal shape), and a small hole drilled axially through the center and the end opposite the hex is internally and externally threaded. This fitting is threaded into the shaft (via external threads) and staked or bonded so that it will not loosen. At the other end of the tubing is a knurled collar with a through hole into which the tubing is threaded. This knob is secured in place by a stop nut. The second assembled portion of the tool comprises a length of all thread or solid rod that is slightly longer than the steel tubing. One end has a slightly larger knurled collar affixed while the other end is tapered/pointed and threaded. When the two portions are assembled, the all thread/rod portion feeds through the tubing and is threaded into the expanding hex head fitting. The tapered point allows it to be driven into the through hole of the hex fitting. While holding the smaller collar on the shaft, the user turns the larger collar, and as the threads feed into the fitting, the hex head expands and grips the SHCS, thus providing a safe way to install and remove fasteners. The clamping force retaining the SHCS varies depending on how far the tapered end is inserted into the tool head. Initial tests of the prototype tool, designed for a 5 mm or # 10SHCS have resulted in up to 8 lb (.35.6 N) of pull force to dislodge the SHCS from the tool. The tool is designed with a lead-in angle from the diameter of the tubing to a diameter the same as the fastener head, to prevent the fastener head from catching on any obstructions encountered that could dislodge the fastener during retrieval.

Bishop, John↗
NASA NTRS2020

TCL4 UTM (UAS Traffic Management) Nevada 2019 Flight Tests, Airspace Operations Laboratory (AOL) Report

The Unmanned Aircraft Systems (UAS) Traffic Management (UTM) research project has been developing and testing concept ideas for enabling small UAS (sUAS) operations in low altitude airspace (ground to 400 feet). To do this, NASA has organized a series of flight test demonstrations. Technology Capability Level-4 (TCL4) flight tests were conducted at a Nevada, USA test site, during June 2019. The testing resulted in over 300 data collection flights using eight live rotorcraft, 15 simulated vehicles, involving six flight crews and five Unmanned Aerial System (UAS) Service Suppliers (USS). The TCL4 approach was designed to demonstrate five scenarios that set up five diverse sets of UAS events and activities. The Nevada test site focused on three of these scenarios: an incoming weather front, a concert event with an incident requiring an emergency response, and a scenario where multiple vehicles experienced Communication, Navigation, and Surveillance (CNS) issues. The test site created their scenarios to each have three phases and were required to complete three executions of each scenario, for a total of nine missions per Nevada vehicle per scenario. This document presents data collected from participants during the TCL4-Nevada flight test that provides information about how much and how well operators were able to make use of UTM functions and information, with the goal of exploring what the minimum information requirements and/or best practices might be in TCL4 operations. The driving enquiry was: how do UTM tools and features support (human) operators leading to safe and effective conduct of large-scale beyond visual line of sight (BVLOS) sUAS operations in “urban canyon” environments? As with the data collected during previous similar tests (e.g., TCL3, Martin et al., 2019), the quality of the UTM information exchanged, and the meaningfulness and therefore usefulness of this information, were all focal points of the questions asked and the data collected. Data aligned with five human-system attributes to indicate that UTM provided information that contributed to users’ ability to operate safely and effectively within UTM, but that information was not always complete and was sometimes unclear.

UTM↗
NASA NTRS2022

On the Current State of Sheaf Theoretic Networking

Advancing the Delay Tolerant Networking (DTN) effort has proven to be a unique and difficult challenge. In the journey to implementing space networking, NASA has considered several strategies. From direct translations of Internet Protocol (IP) to satellite networks to pre-planned routing structures in Contact Graph Routing (CGR), each potential solution for DTN has come with its fair share of setbacks and challenges. Frequently, these challenges can be traced back to specific assumptions made in the development of each protocol that do not carry over from ground networks to space networks. To address these fundamental assumptions, a more general and foundational networking theory is required. In this paper, we survey a novel mathematical foundation for networking using the theory of cellular sheaves. Sheaves form a mathematical tool for modeling local phenomenon that leads to global effects. Sheaves have been introduced a number of times, and our goal here is to summarize the applications and point towards important future work that must be done to build a stronger, cohesive theory for networking.

Sheaves↗
NASA NTRS2023

Investigating Abrasion Effects of Lunar Simulant Grain Sizes on Candidate Spacesuit Fabric

Lunar dust is identified as one of the most significant challenges during the Apollo exploration missions due to its extremely abrasive and electrostatic characteristics. As NASA and the space industry prepare for the upcoming Artemis missions, researching and testing with lunar simulant is quintessential to understanding the effects of lunar dust on the systems and equipment that will be deployed on the lunar surface. Testing will also provide paths that lead to developing technologies and cleaning tools that could be used for dust mitigation. Additionally, it is expected that any hardware that will be exposed to the dusty environment should undergo rigorous testing to ensure it will maintain long-term performance and operate on the lunar surface. For this study, exterior spacesuit fabric was observed. Abrasion is one of the main concerns of lunar dust exposure for spacesuit fabric. Three different abrasion methods were chosen: a rotary tumbler, the Martindale method, and Accelerotor. These abrasion methods were tested on coated and uncoated spacesuit material, Orthofabric, to understand the abrasion rates of sieved lunar simulant and investigate if the addition of ceramic coating mitigated dust abrasion. To summarize, the testing results provided that larger grains are more abrasive than smaller grains, and the selected ceramic coatings did not minimize abrasion during the controlled abrasion tests. It is important to note that the selected ceramic coatings were not designed or intended to provide protection from the abrasive lunar environment. It is recommended to select additional ceramic coatings with an elevated TRL of 5 or greater for testing with Orthofabric and lunar simulant. As an additional note, contact angle measurements were not accounted for in coating selection and should be a factor when selecting adhesion resistant coatings for lunar dust.

grain size↗
NASA NTRSDate not supplied

Advances in Modeling Solar System Internet Structures and their Data Flows

With an ever-increasing presence in space, there is also an increasing burden on existing communications infrastructure. We are heading towards an inflection point where the traditional approach of scheduled, single-path communications for space will no longer be viable. One answer is Delay Tolerant Networking (DTN), which takes the once disparate system of point-to-point links and unifies them in a networked architecture, thereby making communications more scalable. However, much work remains for discovering and harnessing the underlying theory of DTN. For example, in the terrestrial setting the interplay between routing domains is well-understood, however this is not the case in DTNs. In this paper, we build up the fundamental foundations of DTN, with an emphasis on modeling time varying networks and data flows across them, with examples of cross-domain routing in a DTN. A lofty goal of DTN is to enable the so-called Solar System Internet (SSI), which implies a standardized and robust suite of protocols. These protocols include routing across disconnected networks using store, carry, and forward mechanisms, which is necessary due to the disconnections, delays, and mobility intrinsic to space networks. Due to these factors, each of which generalize traditional networking, there is a deep and rich theory of DTNs. Here we build off of past successes to broaden this theory while striving to keep actionable results a goal for future implementations and operations. The approach includes modeling the unicast, broadcast, and multicast communications using the language of hypergraphs, which capture the geometric properties of such networked communications algebraically. Also inherent to these networks is their time-varying nature, particularly given mobility, and hence we also cultivate modeling techniques that respect this time dependence. This leads us to develop models using tools from category theory and algebraic geometry, which provide a language well-suited to describing synchronization and optimization over such networks. We also introduce and study a novel generalization of curvature applicable to time-evolving networks, which provides quantitative controls on diffusion processes on the network. Because an interplanetary network would feature links with propagation delays the preclude discovery (feedback) mechanisms, they will always feature a scheduled component. However, it is beneficial to support discovery where possible. While DTNs do not yet have strong definitions for their analogues of autonomous systems or network areas, we show how to join dynamic and schedule-based routing domains, using the language of sheaves, which marks progress towards such definitions. We conclude with a discussion of the progress made, as well as suggestions for future work.

Delay Tolerant Networking↗
DOE OSTI2021

Qualification of System-Level Advanced Reactor Safety Analysis Software for Lead Systems: Final CRADA Report

SAS4A/SASSYS-1 is a simulation tool used to perform deterministic analysis of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for over forty-five years and represents a critical investment in safety analysis capabilities for the U.S. Department of Energy. Although SAS4A/SASSYS-1 was developed to support the analysis of any liquid-metal-cooled nuclear reactor, it has primarily been utilized to design and analyze Sodium Fast Reactors (SFRs). As a result, most of the qualification basis for SAS4A/SASSYS-1 has utilized sodium as a coolant and geometry descriptions that are prototypic of SFR configurations. In this project, which partnered with Westinghouse Electric Company, LLC, the initial foundation for a qualification basis centered on prototypic pool-type lead-cooled systems has been established, where the end goal is to extend support for utilization of SAS4A/SASSYS-1 in Lead Fast Reactor (LFR) licensing or authorization. This project included three fundamental technical tasks: LFR V&V test suite development (Task 1); qualification support for LFRs (Task 2); and LFR modeling capabilities evaluation and improvement (Task 3)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Reversible Phase Transformation of Colloidal 2D Lead Halide Perovskite Platelets under Photoirradiation

The photostability of lead halide perovskites is an important criterion for their utilization in light harvesting applications. Colloidal two-dimensional mixed halide perovskites offer a convenient approach to probe photoinduced transformations using spectroscopy tools. We employed suspensions of colloidal 2D methylammonium lead halide perovskite platelets with butylammonium and octylammonium as organic spacer cations. Upon irradiation of the mixed halide perovskite (BAOAMAPb 2 (Br 3.5 I 3.5 )) colloidal platelet suspension, we observe a phase transformation, as seen from the formation of bromide rich domains (BAOAMAPb 2 Br 7 ) and an iodide complex (PbI 3 – ). Unlike in the case of 3D mixed halide films, we did not observe the formation of iodide rich domains as part of the photoinduced phase segregation process. Instead, we observed the dissociation of the BAOAMAPb 2 I 7 to form an iodide complex, PbI 3 – . Interestingly, this photoinduced phase transformation was reversible, as the products which were confined in the colloidal core restored the original mixed halide phase upon storage in dark. The spectroscopic measurements that characterize excited states of different colloidal methylammonium lead halide perovskites and kinetics of photoinduced transformation and their dark recovery are presented. Furthermore, these new phototransformations of colloidal perovskite platelets provide new insights into the processes that dictate their overall photostability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2008

Leading Your Leaders

Even though working on a problem has been your primary effort for the past year, your leadership may have heard about this once in a briefing a decade ago. Now they are basically clueless. Pretend that you are talking to your daughter's fifth-grade class. Explain how your complicated gizmo works. If possible, do not use acronyms. Define your terms. Put your work in context. Assume your leader has no idea what you do, who you work for, or what your gizmo does. That is a good place to start. Remember, taking the next century to study the problem or spending the Gross National Product to invent a new solution are probably not going to be acceptable solutions. Real engineers and technicians build real hardware that works in the real world in a reasonable manner within a reasonable time at a reasonable cost. True, skimping on time or money can cause mistakes, but folks whose gizmos are delayed unreasonably or cost more than is practical get their programs canceled, force the business into bankruptcy, or give the market over to the competition. Real engineers and technicians always consider cost and schedule in their work. Raising questions is important. However, we are in the business of doing things. Engineers and technicians are paid to get things done. Yes, you have to identify the problem, frame the design, identify the tests, perform the analysis, and assemble the hardware. But the goal is to solve the problem. Nobody ever said flying in space was easy. We make it look easy the same way that an Olympic champion makes her sport look easy: by working hard at improving performance every day. Better are the results of a well-defined test. Remember that a test on a laboratory bench is always an approximation of reality, and rules similar to those for good analysis also apply. One should always be mindful of Mechelay's rule: "It is better to be stupid than to run a stupid test." Often we try to overtest. If a piece of hardware passes an unbelievably difficult test, then life is good. More often when an unbelievably difficult test fails, we are left with a very long discussion of why and what was wrong in the design or execution of the test. Make sure that the test is well defined. Even then, it is important to explain to your leaders what inherent accuracy (or error) the test conditions or equipment have and what the assumptions or initial conditions were for the test. Test results without a good understanding of the test's accuracy or the pedigree of the test assumptions are worth very little. Finally, there is flight test data. Always limited, never at the edge of the envelope, it still shows how the real hardware works in a combined environment. Flight experience is dangerous because it typically doesn't show how close to the edge of the cliff the equipment is operating, but it does demonstrate how the hardware really works. A flight test is the ultimate test, again taken with the knowledge that it is probably not the extreme but something more like the middle of the environmental and systems performance. Good understanding of a problem and its solution always relies on a combination of all these methods. Be sure to lead your leaders by using all the tools you have at your disposal. At the end of the day, decisions in space flight always come down to a risk trade. Our business is not remotely safe, not in the sense that the public, the media, or our legislators use the term. Everything we do has a risk, cost, schedule, or performance trade-off. For your leaders to make an appropriate decision, you need to educate them, lead them, talk with them, and engage them in the discussion until full understanding takes place. It's your job. *

Hale, Wayne N.↗
DOE OSTI2026

Subsurface mechanical damage of fused silica glass during grinding by various sub-aperture tools with and without ultrasonics

The subsurface mechanical damage (SSD) depth after grinding fused silica glass with a comprehensive set of sub-aperture fixed abrasive grinding tools [cup, wheel, belt, pad, and rotary face mill (with and without ultrasonics)] and process parameters has been statistically measured using the taper wedge technique and evaluated. Consistent with a previously reported grinding model [J. Non-Cryst. Solids 352, 5601–5617 (2006) Crossref , Materials Science and Technology of Optical Fabrication (Wiley & Sons, 2018)], based on the sliding indentation fracture by sliding particles or asperities where the normal load per particle determines the depth of the fracture (and ultimately the overall SSD depth), the dominant factor controlling SSD depth was found to be the abrasive size regardless of the tool type and process conditions. Compared to full aperture grinding methods, the overall SSD depth was higher using the sub-aperture tools, likely due to the higher effective pressure and higher load per particle distribution. Here, in addition to abrasive size, a significant reduction in SSD depth was achieved by: (1) reducing the load distribution on the abrasive particles via increase in contact area and/or decrease in mechanical loading; (2) using a more compliant host tool medium; and (3) in what we believe is a more novel way, using ultrasonics. Combining low abrasive size, larger contact area, and a compliant host, the 6 µm diamond in a resin matrix (Trizact) on a foam pad led to very low SSD depth (~ 4.6 µm), relatively fast grinding rate (186 mm 3 /h), and little or no figure degradation. This grinding tool/process is an attractive choice for final grind, resulting in significantly reduced polish out (i.e., “grey out”) times. With the rotary face mill tool, the use of ultrasonics consistently led to a SSD depth reduction (ranging from 17%–34%). A new fracture mechanics-based model, to the best of our knowledge, where the relevant normal load is parallel to the feed direction, has been developed to explain how ultrasonics leads to lower SSD depth. The key factors, supported by finite element stress analysis and load measurements, are (1) the initiation of fractures at higher z heights during the tool’s ultrasonic vertical oscillations, thus propagating less deep into workpiece; (2) reduction in load (and therefore reduction in fracture propagation distance) due to smaller tool-workpiece feed direction contact area (again caused by higher heights relative to depth of cut); (3) upward movement of the tool during oscillation leads to fracturing toward the surface instead into the depth; and finally (4) at tool’s lowest point of oscillation cycle, there may not be enough time for the fracture to propagate to its full length.

Optics and optical instruments↗
NASA NTRS2013

Planetary Protection Bioburden Analysis Program

This program is a Microsoft Access program that performed statistical analysis of the colony counts from assays performed on the Mars Science Laboratory (MSL) spacecraft to determine the bioburden density, 3-sigma biodensity, and the total bioburdens required for the MSL prelaunch reports. It also contains numerous tools that report the data in various ways to simplify the reports required. The program performs all the calculations directly in the MS Access program. Prior to this development, the data was exported to large Excel files that had to be cut and pasted to provide the desired results. The program contains a main menu and a number of submenus. Analyses can be performed by using either all the assays, or only the accountable assays that will be used in the final analysis. There are three options on the first menu: either calculate using (1) the old MER (Mars Exploration Rover) statistics, (2) the MSL statistics for all the assays, or This software implements penetration limit equations for common micrometeoroid and orbital debris (MMOD) shield configurations, windows, and thermal protection systems. Allowable MMOD risk is formulated in terms of the probability of penetration (PNP) of the spacecraft pressure hull. For calculating the risk, spacecraft geometry models, mission profiles, debris environment models, and penetration limit equations for installed shielding configurations are required. Risk assessment software such as NASA's BUMPERII is used to calculate mission PNP; however, they are unsuitable for use in shield design and preliminary analysis studies. The software defines a single equation for the design and performance evaluation of common MMOD shielding configurations, windows, and thermal protection systems, along with a description of their validity range and guidelines for their application. Recommendations are based on preliminary reviews of fundamental assumptions, and accuracy in predicting experimental impact test results. The software is programmed in Visual Basic for Applications for installation as a simple add-in for Microsoft Excel. The user is directed to a graphical user interface (GUI) that requires user inputs and provides solutions directly in Microsoft Excel workbooks. This work was done by Shannon Ryan of the USRA Lunar and Planetary Institute for Johnson Space Center. Further information is contained in a TSP (see page 1). MSC- 24582-1 Micrometeoroid and Orbital Debris (MMOD) Shield Ballistic Limit Analysis Program Lyndon B. Johnson Space Center, Houston, Texas Commercially, because it is so generic, Enigma can be used for almost any project that requires engineering visualization, model building, or animation. Models in Enigma can be exported to many other formats for use in other applications as well. Educationally, Enigma is being used to allow university students to visualize robotic algorithms in a simulation mode before using them with actual hardware. This work was done by David Shores and Sharon P. Goza of Johnson Space Center; Cheyenne McKeegan, Rick Easley, Janet Way, and Shonn Everett of MEI Technologies; Mark Manning of PTI; and Mark Guerra, Ray Kraesig, and William Leu of Tietronix Software, Inc. For further information, contact the JSC Innovation Partnerships Office at (281) 483-3809. MSC-24211-1 Spitzer Telemetry Processing System NASA's Jet Propulsion Laboratory, Pasadena, California The Spitzer Telemetry Processing System (SirtfTlmProc) was designed to address objectives of JPL's Multi-mission Image Processing Lab (MIPL) in processing spacecraft telemetry and distributing the resulting data to the science community. To minimize costs and maximize operability, the software design focused on automated error recovery, performance, and information management. The system processes telemetry from the Spitzer spacecraft and delivers Level 0 products to the Spitzer Science Center. SirtfTlmProc is a unique system with automated error notification and recovery, with a real-time continuous service that can go quiescent after periods of inactivity. The software can process 2 GB of telemetry and deliver Level 0 science products to the end user in four hours. It provides analysis tools so the operator can manage the system and troubleshoot problems. It automates telemetry processing in order to reduce staffing costs. This work was done by Alice Stanboli, Elmain M. Martinez, and James M. McAuley of Caltech for NASA's Jet Propulsion Laboratory. For more information, contact iaoffice @jpl.nasa.gov. This software is available for commercial licensing. Please contact Dan Broderick at Daniel.F. Broderick@jpl.nasa.gov. Refer to NPO-47803. NASA Tech Briefs, September 2013 29 This rapid response computer program predicts Orbiter Wing Leading Edge (WLE) damage caused by ice or foam impact during a Space Shuttle launch (Program "IMPACT2"). The program was developed after the Columbia accident in order to assess quickly WLE damage due to ice, foam, or metal impact (if any) during a Shuttle launch. IMPACT2 simulates an impact event in a few minutes for foam impactors, and in seconds for ice and metal impactors. The damage criterion is derived from results obtained from one sophisticated commercial program, which requires hours to carry out simulations of the same impact events. The program was designed to run much faster than the commercial program with prediction of projectile threshold velocities within 10 to 15% of commercial-program values. The mathematical model involves coupling of Orbiter wing normal modes of vibration to nonlinear or linear springmass models. IMPACT2 solves nonlinear or linear impact problems using classical normal modes of vibration of a target, and nonlinear/ linear time-domain equations for the projectile. Impact loads and stresses developed in the target are computed as functions of time. This model is novel because of its speed of execution. A typical model of foam, or other projectile characterized by material nonlinearities, impacting an RCC panel is executed in minutes instead of hours needed by the commercial programs. Target damage due to impact can be assessed quickly, provided that target vibration modes and allowable stress are known. This work was done by Robert Clark, Jr., Paul Cotter, and Constantine Michalopoulos of The Boeing Company for Johnson Space Center. For further information, contact the JSC Innovation Partnerships Office at (281) 483-3809. MSC-24988-1 Wing Leading Edge RCC Rapid Response Damage Prediction Tool (IMPACT2) Lyndon B. Johnson Space Center, Houston, Texas (3) the MSL statistics for only the accountable assays. Other options on the main menu include a data editing form and utility programs that produce various reports requested by the microbiologists and the project, and tools to generate the groupings for the final analyses. The analyses can be carried out in three ways: Each assay can be treated separately, the assays can be collectively treated for the whole zone as a group, or the assays can be collected in groups designated by the JPL Planetary Protection Manager. The latter approach was used to generate the final report because assays on the same equipment or similar equipment can be assumed to have been exposed to the same environment and cleaning. Thus, the statistics are improved by having a larger population, thereby reducing the standard deviation by the square root of N. For each method mentioned above, three reports are available. The first is a detailed report including all the data. This version was very useful in verifying the calculations. The second is a brief report that is similar to the full detailed report, but does not print out the data. The third is a grand total and summary report in which each assay requires only one line. For the first and second reports, most of the calculations are performed in the report section itself. For the third, all the calculations are performed directly in the query bound to the report. All the numerical results were verified by comparing them with Excel templates, then exporting the data from the Planetary Protection Analysis program to Excel.

Beaudet, Robert A.↗
NASA NTRSDate not supplied

Development Strategies for Uncertainty Quantification to Enable Aircraft Certification by Analysis

Aircraft Certification by Analysis (CbA) is a broad term that describes the process by which engineering analysis tools are used to supplement flight testing to demonstrate compliance with regulatory requirements. For each requirement that is to be met through this process, the analysis tools must be sufficiently accurate to ensure that an equivalent level of safety is obtained as if the aircraft to be certified had been flight tested for the requirement. In recent decades, the ability of analysis tools to accurately predict aircraft performance has improved dramatically, leading to increasing interest and limited early adoption of Certification by Analysis across the aerospace industry. However, rigorously demonstrating the credibility of analysis tools remains a challenge for many types of certification requirements, yet is necessary for widespread adoption of CbA approaches in the future. The field of uncertainty quantification is well-suited to address this problem, but will require substantial advances in order to achieve the ambitious industry goals for Certification by Analysis. The objective of this position paper is to highlight gaps in the current technical and programmatic state of uncertainty quantification. Four main categories – Mindset & Awareness, Tools & Capabilities, Data and Benchmarks for V&V, and Applied Research & Established Processes – will be introduced. Each of these categories contains several shortcomings and impediments which, if overcome, will enable more widespread possibilities for Certification by Analysis in the 2040-2050 timeframe.

Uncertainty Quantification↗
NASA NTRS2013

Robonaut 2 - Preparing for Intra-Vehicular Mobility on the International Space Station

Robonaut 2 (R2) has been undergoing experimental trials on board the International Space Station (ISS) for more than a year. This upper-body anthropomorphic robotic system shown in Figure 1 has been making steady progress after completing its initial checkout. R2 demonstrated free space motion, physically interacted with its human crew mates, manipulated interfaces on its task board and has even used its first tool. This steady growth in capability will lead R2 to its next watershed milestone. Developers are currently testing prototype robotic climbing appendages and a battery backpack in preparation of sending flight versions of both subsystems to the ISS in late 2013. Upon integration of its new components, R2 will be able to go mobile inside the space station with a twofold agenda. First, R2 will learn to maneuver in microgravity in the best possible laboratory for such a task. Second, it will start providing early payback to the ISS program by helping with intra-vehicular (IVA) maintenance tasks. The experience gained inside the ISS will be invaluable in reducing risk when R2 moves to its next stage and is deployed as an extra-vehicular (EVA) tool. Even on its current fixed base stanchion, R2 has already shown its capability of performing several maintenance tasks on the ISS. It has measured the air flow through one of the stations vents and provided previously unavailable real time flow data to ground operators. R2 has cleaned its first handrail, exciting some crew members that perhaps Saturday morning housekeeping on the station may someday become a task they can hand off to their robotic colleague. Other tasks, including using radio frequency identification (RFID) tools for inventory tasks or vacuuming air filters, have also been suggested and will be explored. Once mobile, R2 will take on these tasks and more to free up crew time for more important science and exploration pursuits. In addition to task exploration, research and testing is happening on orbit to prepare for R2 mobility operations. The current vision system in R2 s head is being used to identify and localize IVA handrails throughout the US Lab and ground control software is being updated and integrated in advance of supporting mobility operations.

Badger, Julia↗
DOE OSTI2022

Pose Classification Using Three-Dimensional Atomic Structure-Based Neural Networks Applied to Ion Channel–Ligand Docking

The identification of promising lead compounds showing pharmacological activities toward a biological target is essential in early stage drug discovery. With the recent increase in available small-molecule databases, virtual high-throughput screening using physics-based molecular docking has emerged as an essential tool in assisting fast and cost-efficient lead discovery and optimization. However, the best scored docking poses are often suboptimal, resulting in incorrect screening and chemical property calculation. We address the pose classification problem by leveraging data-driven machine learning approaches to identify correct docking poses from AutoDock Vina and Glide screens. To enable effective classification of docking poses, we present two convolutional neural network approaches: a three-dimensional convolutional neural network (3D-CNN) and an attention-based point cloud network (PCN) trained on the PDBbind refined set. We demonstrate the effectiveness of our proposed classifiers on multiple evaluation data sets including the standard PDBbind CASF-2016 benchmark data set and various compound libraries with structurally different protein targets including an ion channel data set extracted from Protein Data Bank (PDB) and an in-house KCa3.1 inhibitor data set. Our experiments show that excluding false positive docking poses using the proposed classifiers improves virtual high-throughput screening to identify novel molecules against each target protein compared to the initial screen based on the docking scores.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Can We Fix It Automatically? Development of Fault Auto-Correction Algorithms for HVAC and Lighting Systems

A fault detection and diagnostics (FDD) tool is a type of energy management and information system designed to continuously identify the presence of faults and efficiency improvement opportunities through a one-way interface to the building automation system and application of automated analytics. Building owners and operators at the leading edge of technology adoption are using FDD tools to enable average whole-building portfolio savings of 8 percent. Although FDD tools can inform building operators of operational faults, currently a manual action is always required to correct faults and generate the associated energy savings. A subset of faults, however, such as biased sensors and manual override, can be addressed automatically, removing the need for operations and maintenance staff intervention. Automating this fault “correction” can significantly increase the savings generated by FDD tools and reduce the reliance on human intervention. Doing so is expected to advance the usability, as well as the technical and economic performance, of FDD technologies. In this paper, we present the development of 10 innovative fault auto-correction algorithms for HVAC and lighting systems. When the auto-correction routine is triggered, it will overwrite the control setpoints or other variables (via BACnet or other protocol) to implement the intended changes. These algorithms are able to automatically correct the faults or improve the operation associated with an incorrectly programmed schedule, override manual control, sensor bias, control hunting, rogue zone, and less aggressive setpoints/setpoints setback. The paper will also discuss the implementation of the auto-correction algorithms in FDD software products.

Lin, Guanjing↗
DOE OSTI2020

The Corrective Maintenance Paradigm Shift at Hanford's Tank Farms - 20077

Hanford's Tank Farms facilities have been used to safely store waste for over 70 years, with the first single-shell tanks being constructed in 1943. Tank Farm facilities consist of 149 single-shell tanks, 28 double-shell tanks, an evaporator facility, and wastewater treatment facilities. Tank Farm facilities are aging, with a tremendous corrective maintenance burden on the Tank Farm contractor. The mission of Tank Farm facilities is soon changing from waste storage to waste staging for the Hanford Waste Treatment and Immobilization Plant (WTP). WTP operations will demand a significant increase in Tank Farm facility operations, in which corrective maintenance outage windows will shrink drastically. This realization has forced the Tank Farm contractor to consider a paradigm shift in Tank Farm facilities Maintenance planning, and the use of reliability Engineering tools. The Tank Farm Production Operations Engineering Cognizant System Engineering (CSE) organization has led the way in motivating this paradigm shift. This shift has been realized through the use of: 1) technical exchange with other Department of Energy (DOE) contractors to develop improvements in the CSE program, 2) a shift from the use of lagging to leading system health indicators, and 3) a Plant Health Committee to unite Engineering, Operations, and Maintenance personnel toward a productive maintenance strategy. The CSE organization has held several technical exchanges with other DOE contractors to discuss CSE concepts, and how to better maintain aging infrastructure. The technical exchange with other contractors has greatly reduced the time required to make improvements in the Tank Farm CSE program. Other DOE contractors have already faced issues surrounding aging infrastructure, and have vast experience in improving the reliability and usable life of structures and components in nuclear facilities. The past CSE program used lagging health indicators to determine the health of systems. The key lagging indicator used to determine system health was availability, which is the percentage of time that a facility was ready for operation compared to the time the facility was demanded for operation. Availability was a good indicator of health in the waste storage mission of Tank Farms, where safe storage was the most important function of the facility, and where maintenance outage windows were typically long-duration. In current and future operations, outage windows are reducing, resulting in the need for much more reliable systems. Systems that have had high availability may suddenly become inoperable due to a failed component or sub-system. In several instances, the use of availability as an indicator of system health failed to predict system/equipment failure before its occurrence. In discussions with other DOE contractors, a set of reliability tools, including leading indicators of health, has been implemented in the CSE program. This primarily involves the use of failure modes and effects analysis and the study of equipment failure to develop system monitoring plans that focus on trending data to detect oncoming equipment failure ahead of time. In addition, the use of a Plant Health Committee has added significantly to the paradigm shift from a corrective maintenance philosophy to the use of predictive and preventive maintenance. The Plant Health Committee is a chartered team consisting of Engineering, Operations, and Maintenance personnel. CSEs use this forum to present the results of their performance monitoring, including the presentation of health via leading health indicators. The most positive aspect of this committee is the communication that it creates within these critical organizations. The Operations and Maintenance organization benefit from focusing maintenance on the reliability-centered focus provided by Engineering. Engineering benefits from the operational experience of the Operations organization and from the failure data that can be provided by Maintenance personnel. The continued use of the Plant Health Committee is expected to further decrease maintenance outage times, in better support of oncoming 24/7 operations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRSDate not supplied

Assessment of ProgPy - An Open-Source Condition Monitoring and Diagnostics Tool

Traditional maintenance programs, such as corrective and preventive strategies, may lead to high costs and operational inefficiencies. Condition Monitoring and Diagnostics (CM&D) aims to improve these maintenance strategies by enabling timely insights into equipment health and performance. However, implementation of CM&D can be challenging without a robust framework that manages data efficiently, supports interoperability and simplifies integration. To address these challenges ProgPy, an open-source Python-based prognostics tool developed by NASA Ames Research Center, offers a structured solution for broader Prognostics and Health Management (PHM) applications. Ongoing research is assessing the feasibility of implementing ProgPy as a Condition Monitoring and Diagnostics (CM&D) solution by comparing its framework to the guidelines for open CM&D systems recommended in the ISO 13374-2 standard. This evaluation aims to highlight ProgPy’s strengths and identify opportunities for improvement, thereby, contributing to its advancement as an effective tool for Prognostics and Health Management (PHM). This paper presents the results of an initial assessment of the ProgPy toolbox through a gearbox case study using open-source datasets.

Condition-Monitoring, Diagnostics, Failure, Gearbo↗
DOE OSTI2020

Synchrotron Photoionization Study of the Diisopropyl Ether Oxidation

Abstract Scientific evidence has shown oxygenates help to reduce dangerous pollutants arising from burning fossil fuel in the automotive sector. For this reason, their use as additives has spread widely. The aim of this work consists in providing a comprehensive identification of the main primary oxidation products of diisopropyl ether (DIPE), one of the most promising among etheric oxygenates. The Cl‐initiated oxidation of DIPE is examinated by using a vacuum ultraviolet (VUV) synchrotron radiation at the Advanced Light Source (ALS) of the Lawrence Berkeley National Laboratory (LBNL). Products are identified on the basis of their mass‐to‐charge ratio, shape of photoionization spectra, adiabatic ionization energies, and chemical kinetic profiles, at three different temperatures (298, 550, and 650 K). Acetone, propanal, propene, and isopropyl acetate have been identified as major reaction products. Acetone is the main primary product. Theoretical calculations using the composite CBS‐QB3 method provided useful tools to validate the postulated reaction mechanisms leading to experimentally observed species. The formation of other species is also discussed.

Giustini, Andrea↗
DOE OSTI2025

Exascale workflow applications and middleware: An ExaWorks retrospective

Exascale computers offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discovery and insight. However, these software combinations and integrations are difficult to achieve due to the challenges of coordinating and deploying heterogeneous software components on diverse and massive platforms. Here, we present the ExaWorks project, which addresses many of these challenges. We developed a workflow Software Development Toolkit (SDK), a curated collection of workflow technologies that can be composed and interoperated through a common interface, engineered following current best practices, and specifically designed to work on HPC platforms. ExaWorks also developed PSI/J, a job management abstraction API, to simplify the construction of portable software components and applications that can be used over various HPC schedulers. The PSI/J API is a minimal interface for submitting and monitoring jobs and their execution state across multiple and commonly used HPC schedulers. We also describe several leading and innovative workflow examples of ExaWorks tools used on DOE leadership platforms. Furthermore, we discuss how our project is working with the workflow community, large computing facilities, and HPC platform vendors to address the requirements of workflows sustainably at the exascale.

97 MATHEMATICS AND COMPUTING↗