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At least 235 records · Page 13

Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry

Reaction times, activation energies, branching ratios, yields, and many other quantitative attributes are important for precise organic syntheses and generating detailed reaction mechanisms. Often, it would be useful to be able to classify proposed reactions as fast or slow. However, quantitative chemical reaction data, especially for atom-mapped reactions, are difficult to find in existing databases. Therefore, we used automated potential energy surface exploration to generate 12,000 organic reactions involving H, C, N, and O atoms calculated at the ω B97X-D3/def2-TZVP quantum chemistry level. We report the results of geometry optimizations and frequency calculations for reactants, products, and transition states of all reactions. Additionally, we extracted atom-mapped reaction SMILES, activation energies, and enthalpies of reaction. We believe that this data will accelerate progress in automated methods for organic synthesis and reaction mechanism generation—for example, by enabling the development of novel machine learning models for quantitative reaction prediction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cognitive engineering in aerospace application: Pilot interaction with cockpit automation

Because of recent incidents involving glass-cockpit aircraft, there is growing concern with cockpit automation and its potential effects on pilot performance. However, little is known about the nature and causes of problems that arise in pilot-automation interaction. The results of two studies that provide converging, complementary data on pilots' difficulties with understanding and operating one of the core systems of cockpit automation, the Flight Management System (FMS) is reported. A survey asking pilots to describe specific incidents with the FMS and observations of pilots undergoing transition training to a glass cockpit aircraft served as vehicles to gather a corpus on the nature and variety of FMS-related problems. The results of both studies indicate that pilots become proficient in standard FMS operations through ground training and subsequent line experience. But even with considerable line experience, they still have difficulties tracking FMS status and behavior in certain flight contexts, and they show gaps in their understanding of the functional structure of the system. The results suggest that design-related factors such as opaque interfaces contribute to these difficulties which can affect pilots' situation awareness. The results of this research are relevant for both the design of cockpit automation and the development of training curricula specifically tailored to the needs of glass cockpits.

Sarter, Nadine R.↗

Automated Mapping of Flood Events in the Mississippi River Basin Utilizing NASA Earth Observations

The Mississippi River Basin is the fourth largest drainage basin in the world, and is susceptible to multi-level flood events caused by heavy precipitation, snow melt, and changes in water table levels. Conducting flood analysis during periods of disaster is a challenging endeavor for NASA's Short-term Prediction Research and Transition Center (SPoRT), Federal Emergency Management Agency (FEMA), and the U.S. Geological Survey's Hazards Data Distribution Systems (USGS HDDS) due to heavily-involved research and lack of manpower. During this project, an automated script was generated that performs high-level flood analysis to relieve the workload for end-users. The script incorporated Landsat 8 Operational Land Imager (OLI) tiles and utilized computer-learning techniques to generate accurate water extent maps. The script referenced the Moderate Resolution Imaging Spectroradiometer (MODIS) land-water mask to isolate areas of flood induced waters. These areas were overlaid onto the National Land Cover Database's (NLCD) land cover data, the Oak Ridge National Laboratory's LandScan data, and Homeland Infrastructure Foundation-Level Data (HIFLD) to determine the classification of areas impacted and the population density affected by flooding. The automated algorithm was initially tested on the September 2016 flood event that occurred in Upper Mississippi River Basin, and was then further tested on multiple flood events within the Mississippi River Basin. This script allows end users to create their own flood probability and impact maps for disaster mitigation and recovery efforts.

Bartkovich, Mercedes↗

Flight Test Results: CTAS Cruise/Descent Trajectory Prediction Accuracy for En route ATC Advisories

The Center/TRACON Automation System (CTAS), under development at NASA Ames Research Center, is designed to assist controllers with the management and control of air traffic transitioning to/from congested airspace. This paper focuses on the transition from the en route environment, to high-density terminal airspace, under a time-based arrival-metering constraint. Two flight tests were conducted at the Denver Air Route Traffic Control Center (ARTCC) to study trajectory-prediction accuracy, the key to accurate Decision Support Tool advisories such as conflict detection/resolution and fuel-efficient metering conformance. In collaboration with NASA Langley Research Center, these test were part of an overall effort to research systems and procedures for the integration of CTAS and flight management systems (FMS). The Langley Transport Systems Research Vehicle Boeing 737 airplane flew a combined total of 58 cruise-arrival trajectory runs while following CTAS clearance advisories. Actual trajectories of the airplane were compared to CTAS and FMS predictions to measure trajectory-prediction accuracy and identify the primary sources of error for both. The research airplane was used to evaluate several levels of cockpit automation ranging from conventional avionics to a performance-based vertical navigation (VNAV) FMS. Trajectory prediction accuracy was analyzed with respect to both ARTCC radar tracking and GPS-based aircraft measurements. This paper presents detailed results describing the trajectory accuracy and error sources. Although differences were found in both accuracy and error sources, CTAS accuracy was comparable to the FMS in terms of both meter-fix arrival-time performance (in support of metering) and 4D-trajectory prediction (key to conflict prediction). Overall arrival time errors (mean plus standard deviation) were measured to be approximately 24 seconds during the first flight test (23 runs) and 15 seconds during the second flight test (25 runs). The major source of error during these tests was found to be the predicted winds aloft used by CTAS. Position and velocity estimates of the airplane provided to CTAS by the ATC Host radar tracker were found to be a relatively insignificant error source for the trajectory conditions evaluated. Airplane performance modeling errors within CTAS were found to not significantly affect arrival time errors when the constrained descent procedures were used. The most significant effect related to the flight guidance was observed to be the cross-track and turn-overshoot errors associated with conventional VOR guidance. Lateral navigation (LNAV) guidance significantly reduced both the cross-track and turn-overshoot error. Pilot procedures and VNAV guidance were found to significantly reduce the vertical profile errors associated with atmospheric and aircraft performance model errors.

Green, S.↗

Pigment modulation in response to irradiance intensity in the fast-growing alga Picochlorum celeri

Picochlorum celeri has among the fastest photoautotrophic growth rates (~2 h doubling time in optimal conditions) reported to date for a marine alga. This study comprehensively analyzes the levels of Picochlorum celeri photosynthetic pigments, which can reach up to ~13% of the total particulate organic carbon (POC) under light-limiting conditions. The main Picochlorum celeri pigments identified include: chlorophyll a, chlorophyll b, lutein, β-carotene, canthaxanthin, violaxanthin, neoxanthin, zeaxanthin and antheraxanthin. The ketocarotenoid canthaxanthin can accumulate up to 120 mg L -1 in Picochlorum celeri liquid culture; ~12% of it was found in an extracellular polysaccharide matrix. Using a solar-simulating automated photobioreactor, we monitor the photoacclimation of cultures maintained in unshaded conditions (<0.5 μg mL -1 of total chlorophyll) through transitions from high irradiance (1000 μmoles photosynthetically active radiation (PAR) m -2 s -1 ) to low irradiance (60 μmoles PAR m -2 s -1 ), and conversely from low to high irradiance. Canthaxanthin and zeaxanthin accumulation are among the most rapid modulation responses when cultures are shifted from low to high irradiance. The violaxanthin, antherazanthin, and zeaxanthin (VAZ) pool is ~3-fold higher in high-light cultures, suggesting that the VAZ cycle combined with a dramatic reduction in chlorophyll levels are among the major mechanisms used in Picochlorum celeri to efficiently acclimate to high-irradiance levels. Responsive pigment modulation was also observed in denser cultures (~0.65 g L –1 ) grown under a diel cycle (pond-mimicking conditions). Furthermore, this research provides unique insights into the dynamics of pigment modulation and photoacclimation in response to changing irradiance in a biotechnologically promising alga and will inform future pigment engineering strategies to further improve light capture and biomass accumulation.

59 BASIC BIOLOGICAL SCIENCES↗

Markov Process to Evaluate the Value Proposition of a Risk-Informed Predictive Maintenance Strategy

To achieve high-capacity factors, the nuclear fleet has relied on labor-intensive and time-consuming operation and preventive maintenance programs for plant systems. Manually performed inspection, calibration, testing, and maintenance of plant assets at periodic frequencies, along with time-based replacement of assets irrespective of condition, have resulted in a costly, labor-centric business model. Fortunately, there are technologies that can eliminate unnecessary preventive maintenance activities by deploying risk-informed predictive maintenance, enabling the transition to a technology-centric business model. The technology-centric business model will enable plants to optimize and automate maintenance activities, leading to cost reductions since labor is a rising cost and technology is a declining cost. The implementation of scalable technologies and methodologies across plant systems and across the nuclear fleet is critical for successful deployment of a risk-informed predictive maintenance strategy at commercial nuclear power plants. The work presented in the report is being developed as part of a collaborative research effort between Idaho National Laboratory and Public Service Enterprise Group Nuclear, LLC. This report describes the technical basis using the Markov Process to evaluate the value proposition for the risk-informed predictive maintenance strategy for the circulating water system. The plant process data from the Salem nuclear plant’s circulating water system is utilized to develop a Markov chain risk models and formulation to estimate the loss and gain in revenue based on plant availability. The outcomes presented in this report provides the technical basis for extensive quantitative evaluation of a scalable risk-informed predictive maintenance strategy as part of future research.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Fighting Testing ACAT/FRRP: Automatic Collision Avoidance Technology/Fighter Risk Reduction Project

This slide presentation reviews the work of the Flight testing Automatic Collision Avoidance Technology/Fighter Risk Reduction Project (ACAT/FRRP). The goal of this project is to develop common modular architecture for all aircraft, and to enable the transition of technology from research to production as soon as possible to begin to reduce the rate of mishaps. The automated Ground Collision Avoidance System (GCAS) system is designed to prevent collision with the ground, by avionics that project the future trajectory over digital terrain, and request an evasion maneuver at the last instance. The flight controls are capable of automatically performing a recovery. The collision avoidance is described in the presentation. Also included in the presentation is a description of the flight test.

Skoog, Mark A.↗

Scheduling and Operations of the Orbiting Carbon Observatory-3 Mission

This paper describes the development and use of an automated scheduling system for the National Aeronautics and Space Administration’s (NASA) Orbiting Carbon Observatory-3 (OCO-3) Mission. OCO-3 measures atmospheric carbon dioxide from space. Made from the spare instrument built as a backup to the Orbiting Carbon Observatory-2 (OCO-2), OCO-3 extends the rich set of data collected by OCO-2. OCO-3 is outfitted with an agile Pointing Mirror Assembly (PMA) that allows for more detailed types of observations and rapid mode transitions. The mission uses an adaptation of the Compressed Large-scale Activity Scheduling and Planning (CLASP) system for scheduling nominal operations, as well as a separate automated scheduling system developed for scheduling observations for the calibration of the PMA. CLASP is used to schedule the four types of observational modes: Nadir, Glint, Target, and Snapshot Area Map. OCO-3 has a variety of complex mission-specific geometric constraints that were incorporated into CLASP to produce schedules that ensure instrument safety.

Moy, Alan↗

A framework of computer vision-enhanced microfluidic approach for automated assessment of the transient sickling kinetics in sickle red blood cells

The occurrence of vaso-occlusive crisis greatly depends on the competition between the sickling delay time and the transit time of individual sickle cells, i.e., red blood cells from sickle cell disease (SCD) patients, while they are traversing the circulatory system. Many drugs for treating SCD work by inhibiting the polymerization of sickle hemoglobin (HbS), effectively delaying the sickling process in sickle cells (SS RBCs). Most previous studies on screening anti-sickling drugs, such as voxelotor, rely on in vitro testing of sickling characteristics, often conducted under prolonged deoxygenation for up to 1 hour. However, since the microcirculation of RBCs typically takes less than 1 minute, the results of these studies may be less accurate and less relevant for in vitro-in vivo correlation. In our current study, we introduce a computer vision-enhanced microfluidic framework designed to automatically capture the transient sickling kinetics of SS RBCs within a 1-min timeframe. Our study has successfully detected differences in the transient sickling kinetics between vehicle control and voxelotor-treated SS RBCs. This approach has the potential for broader applications in screening anti-sickling therapies.

59 BASIC BIOLOGICAL SCIENCES↗

A modeling framework for designing and evaluating curbside traffic management policies at Dallas-Fort Worth International Airport

Emerging mobility technologies are changing the transportation system landscape. This is especially evident at airports, such as the Dallas-Fort Worth International Airport (DFW). Without careful analysis, these changes could lead to inefficient and costly airport operations. This paper presents a modeling framework that integrates travel mode encoding, demand projection, and microsimulation to enable airports to develop, simulate, and evaluate curbside traffic managements policies and measure their impact. Here, the framework is utilized to analyze several traffic scenarios and policies for DFW: a baseline scenario which represents DFW traffic pattern as observed in 2018 and projected to 2045, a transit network company (TNC) electrification policy, a TNC queuing policy, a policy that increased transit ridership, a bus-only policy which considers the use of only buses inside DFW, an autonomous vehicle (AV) policy which investigates the impact of autonomous vehicle (AV) adoption on airport operations, and an example COVID-19 scenario which models the impact of the COVID19 pandemic. The simulations’ results demonstrate that: increasing the DFW transit ridership postpones the need for airport curbside expansion the most; encouraging shared-mobility with the bus-only policy produces the most savings in curbside congestion delays; automation and electrification for all passenger vehicle trips to/from DFW generates the most saving in fuel consumption and emissions; and uncontrolled AV adoption incurs the highest increase in fuel consumption, delay, and emissions and could require immediate airport capacity extension. Without policy intervention or investment in additional infrastructure capacity, these results predict the current operations would face significant congestion on high demand days starting as early as 2028. While derived in close partnership with DFW, the methodology presented here can be generalized to any airport.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Beyond the Baseline: Proceedings of the Space Station Evolution Symposium: Space Station Freedom Advanced Development Program - Volume 2, Part 2

This report contains the individual presentations delivered at the Space Station Evolution Symposium in League City, Texas on February 6, 7, 8, 1990. Personnel responsible for Advanced Systems Studies and Advanced Development within the Space Station Freedom program reported on the results of their work to date. Systems Studies presentations focused on identifying the baseline design provisions (hooks and scars) necessary to enable evolution of the facility to support changing space policy and anticipated user needs. Also emphasized were evolution configuration and operations concepts including on-orbit processing of space transfer vehicles. Advanced Development task managers discussed transitioning advanced technologies to the baseline program, including those near-term technologies which will enhance the safety and productivity of the crew and the reliability of station systems. Special emphasis was placed on applying advanced automation technology to ground and flight systems. This publication consists of two volumes. Volume 1 contains the results of the advanced system studies with the emphasis on reference evolution configurations, system design requirements and accommodations, and long-range technology projections. Volume 2 reports on advanced development tasks within the Transition Definition Program. Products of these tasks include: engineering fidelity demonstrations and evaluations on Station development testbeds and Shuttle-based flight experiments; detailed requirements and performance specifications which address advanced technology implementation issues; and mature applications and the tools required for the development, implementation, and support of advanced technology within the Space Station Freedom Program.

Source record↗

Controller Strategies for Managing Air Traffic in High Altitude Arrival Sectors

Substantial increases in the volume of air traffic in the National Airspace System (NAS) are forecast for the next decade, with the number of passengers travelling on U.S. airlines expected to increase by as much as 60%. This increased demand on system capacity will be accompanied by increases in traffic complexity as air traffic service providers routinely accommodate user preferred routing requests. Changes to the NAS to meet these new demands are currently underway, including development of new decision support tools to aid controllers in monitoring and managing air traffic, and increased air-to-air and air-to-ground information exchange. Changes in roles and responsibilities of pilots and controllers in flight path management will accompany these changes in traffic patterns and information technology, however the ultimate responsibility for maintaining aircraft separation will remain with the air traffic controller. A thorough understanding of the methods controllers use to manage air traffic will help ensure that changes to the NAS are implemented in a way that maintains the controller's ability to separate aircraft as the system evolves. This presentation describes the strategies controllers use today to manage arrival traffic in its descent from cruise altitude to the Terminal Radar Approach Control (TRACON) boundary. Factors that increase the complexity of this task include the presence of overflight traffic, varying aircraft performance characteristics, winds aloft, ground speed variations with altitude, the need to merge arrival traffic into a single stream, and, when arrival traffic exceeds airport runway capacity, the added task of metering flow into the TRACON. Because of the limited information available to controllers to manage arrival traffic, their strategies are often driven by the need to reduce the task's complexity, which can result in de-optimized flight paths for individual aircraft (e.g., sub-optimal descent or speed profiles). Understanding these strategies and the cognitive demands that drive them will support a safe transition to a NAS that relies on enhanced technologies. In addition, it could enable system developers to identify opportunities for new automation-based procedures or information displays that could reduce the controller's workload and increase operational efficiency.

Smith, Nancy↗

A Near-Term Concept for Trajectory Based Operations with Air/Ground Data Link Communication

An operating concept and required system components for trajectory-based operations with air/ground data link for today's en route and transition airspace is proposed. Controllers are fully responsible for separation as they are today, and no new aircraft equipage is required. Trajectory automation computes integrated solutions to problems like metering, weather avoidance, traffic conflicts and the desire to find and fly more time/fuel efficient flight trajectories. A common ground-based system supports all levels of aircraft equipage and performance including those equipped and not equipped for data link. User interface functions for the radar controller's display make trajectory-based clearance advisories easy to visualize, modify if necessary, and implement. Laboratory simulations (without human operators) were conducted to test integrated operation of selected system components with uncertainty modeling. Results are based on 102 hours of Fort Worth Center traffic recordings involving over 37,000 individual flights. The presence of uncertainty had a marginal effect (5%) on minimum-delay conflict resolution performance, and windfavorable routes had no effect on detection and resolution metrics. Flight plan amendments and clearances were substantially reduced compared to today s operations. Top-of-descent prediction errors are the largest cause of failure indicating that better descent predictions are needed to reliably achieve fuel-efficient descent profiles in medium to heavy traffic. Improved conflict detections for climbing flights could enable substantially more continuous climbs to cruise altitude. Unlike today s Conflict Alert, tactical automation must alert when an altitude amendment is entered, but before the aircraft starts the maneuver. In every other failure case tactical automation prevented losses of separation. A real-time prototype trajectory trajectory-automation system is running now and could be made ready for operational testing at an en route Center in 1-2 years.

McNally, David↗

Locomotor Dysfunction after Long-Duration Space Flight and Development of Countermeasures to Facilitate Faster Recovery

Exposure to the microgravity conditions of space flight induces adaptive modification in sensorimotor function allowing astronauts to operate in this unique environment. This adaptive state, however, is inappropriate for a 1-g environment. Consequently astronauts must spend time readapting to Earth s gravity following their return to Earth. During this readaptation period, alterations in sensorimotor function cause various disturbances in astronaut gait during postflight walking. They often rely more on vision for postural and gait stability and many report the need for greater cognitive supervision of motor actions that previous to space flight were fully automated. Over the last several years our laboratory has investigated postflight astronaut locomotion with the aim of better understanding how adaptive changes in underlying sensorimotor mechanisms contribute to postflight gait dysfunction. Exposure to the microgravity conditions of space flight induces adaptive modification in the control of vestibularly-mediated reflexive head movement during locomotion after space flight. Furthermore, during motor learning, adaptive transitions are composed of two main mechanisms: strategic and plastic. Strategic mechanisms represent immediate and transitory modifications in control to deal with changes in the prevailing environment that, if prolonged, induce plastic mechanisms designed to automate new behavioral responses. The goal of the present study was to examine the contributions of sensorimotor subsystems such as the vestibular and body load sensing (BLS) somatosensory influences on head movement control during locomotion after long-duration space flight. Further we present data on the two motor learning processes during readaptation of locomotor function after long-duration space flight.

Mulavara, A. P.↗

Digitalization in Electric Power Systems and Regulation: A Primer

This report defines grid digitalization, provides concrete examples, and assesses five elements of digital systems that have evolved over the past three decades relevant to the electric distribution system: (1) network interconnection, (2) interoperability, (3) modularity, (4) open source, and (5) automation. This report also discusses the benefits and challenges of digitalization and provides a set of actions regulators can take to support the transition and realize the benefits of the transition.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Toxicological safeguards in the manned Mars missions

Safeguards against toxic chemical exposures during manned Mars missions (MMMs) will be important for the maintenance of crew health and the accomplishment of mission objectives. Potential sources include offgassing, thermodegradation or combustion of materials, metabolic products of crew members, and escape of chemical from containment. Spacecraft maximum allowable concentration (SMAC) limits will have to be established for potential contaminants during the MMMs. The following factors will be used in establishing these limits: duration of mission, simultaneous exposure to other contaminants, deconditioning of crew members after long periods of reduced gravity, and simultaneous exposure to ionizing radiation. Atmospheric contaminant levels in all compartments of the transit spacecraft and Manned Mars Station (MMS) will be monitored at frequent intervals with a real time analyzer. This analyzer will be highly automated, requiring minimal crew time and expertise. The atmospheric analyzer will find other usages during the MMMs such as analyzing Martian atmospheres and soils, exhaled breath and body fluids of crew members, and reaction products in chemical processing facilities.

Coleman, Martin E.↗

Design Through Manufacturing: The Solid Model - Finite Element Analysis Interface

State-of-the-art computer aided design (CAD) presently affords engineers the opportunity to create solid models of machine parts which reflect every detail of the finished product. Ideally, these models should fulfill two very important functions: (1) they must provide numerical control information for automated manufacturing of precision parts, and (2) they must enable analysts to easily evaluate the stress levels (using finite element analysis - FEA) for all structurally significant parts used in space missions. Today's state-of-the-art CAD programs perform function (1) very well, providing an excellent model for precision manufacturing. But they do not provide a straightforward and simple means of automating the translation from CAD to FEA models, especially for aircraft-type structures. The research performed during the fellowship period investigated the transition process from the solid CAD model to the FEA stress analysis model with the final goal of creating an automatic interface between the two. During the period of the fellowship a detailed multi-year program for the development of such an interface was created. The ultimate goal of this program will be the development of a fully parameterized automatic ProE/FEA translator for parts and assemblies, with the incorporation of data base management into the solution, and ultimately including computational fluid dynamics and thermal modeling in the interface.

Rubin, Carol↗