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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 811 records · Page 45

A Molecular View of Methane Activation on Ni(111) through Enhanced Sampling and Machine Learning

A combination of machine learned interatomic potentials (MLIPs) and enhanced sampling simulations is used to investigate the activation of methane on a Ni(111) surface. The work entails the development and iterative refinement of MLIPs, initially trained on a dataset constructed via ab initio molecular dynamics (AIMD) simulations, supplemented by adaptive biasing forces, to enrich the sampling of catalytically relevant configurations. Our results reveal that by incorporating collective variables that capture the behavior of the reactant molecule, as well as additional frames that describe the dynamic response of the catalytic surface, it is possible to enhance considerably the accuracy of predicted energies and forces. By employing enhanced sampling schemes in the refinement of the MLIP, we systematically explore the potential energy surface, leading to a refined MLIP capable of predicting DFT-level energies and forces and replicating key geometric characteristics of the catalytic system. The resulting free energy landscapes at several temperatures provide a detailed view of the thermodynamics and dynamics of methane activation. Specifically, as methane approaches and dissociates on the catalytic surface, the process involves the dynamic interplay of CH 4 and the Ni catalyst that includes both enthalpic and entropic contributions. The progression towards the transition state involves an CH 4 moiety that is increasingly restrained in its ability to rotate or translate, while the stage following the transition state is characterized by a notable rise of the Ni atom that interacts with the cleaved C–H bond. Furthermore, this leads to an increase in the mobility of the adsorbed species, a feature that becomes more pronounced at higher temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Leveraging electron-phonon interaction to enhance the thermoelectric power factor in graphene-like semimetals

Electron-phonon interactions (EPIs) are presumably detrimental for thermoelectric performance in semiconductors because they limit carrier mobility. Here we show that enhanced EPIs with strong energy dependence offer an intrinsic pathway to a significant increase in the Seebeck coefficient and the thermoelectric power factor, particularly in the context of two-dimensional (2D) graphene-like Dirac bands. The increase is realized by enabling electron energy filtering through preferential scattering of electron/hole carriers. We prove this concept by implementing first-principles computational methods with explicit treatment of EPIs for a 2D gapless MoS 2 allotrope, which has both massless Dirac bands and a heavy-fermion state that acts as the filter. We determine that the optimal location of the heavy state and hence the onset of the filtering process is at the Dirac point. Our study opens an avenue for attaining ultrahigh power factors via engineering the EPIs in graphene-like semimetals or identifying new compounds that intrinsically possess the featured electronic structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA Tech Briefs, August 2006

Topics covered include: Measurement and Controls Data Acquisition System IMU/GPS System Provides Position and Attitude Data Using Artificial Intelligence to Inform Pilots of Weather Fast Lossless Compression of Multispectral-Image Data Developing Signal-Pattern-Recognition Programs Implementing Access to Data Distributed on Many Processors Compact, Efficient Drive Circuit for a Piezoelectric Pump; Dual Common Planes for Time Multiplexing of Dual-Color QWIPs; MMIC Power Amplifier Puts Out 40 mW From 75 to 110 GHz; 2D/3D Visual Tracker for Rover Mast; Adding Hierarchical Objects to Relational Database General-Purpose XML-Based Information Managements; Vaporizable Scaffolds for Fabricating Thermoelectric Modules; Producing Quantum Dots by Spray Pyrolysis; Mobile Robot for Exploring Cold Liquid/Solid Environments; System Would Acquire Core and Powder Samples of Rocks; Improved Fabrication of Lithium Films Having Micron Features; Manufacture of Regularly Shaped Sol-Gel Pellets; Regulating Glucose and pH, and Monitoring Oxygen in a Bioreactor; Satellite Multiangle Spectropolarimetric Imaging of Aerosols; Interferometric System for Measuring Thickness of Sea Ice; Microscale Regenerative Heat Exchanger Protocols for Handling Messages Between Simulation Computers Statistical Detection of Atypical Aircraft Flights NASA's Aviation Safety and Modeling Project Multimode-Guided-Wave Ultrasonic Scanning of Materials Algorithms for Maneuvering Spacecraft Around Small Bodies Improved Solar-Radiation-Pressure Models for GPS Satellites Measuring Attitude of a Large, Flexible, Orbiting Structure

Source record↗

Virtual and Augmented Reality Applications in Science and Engineering

The articles in this special section focus on virtual and augmented reality applications in science and engineering. There has been an explosive growth in visually augmenting the spaces around us by creating environments where visual, aural, and kinesthetic immersive experiences afforded by virtual and augmented reality (AR) powerfully engage us in a way no other medium can. Virtual reality (VR) recreates the sensory world around us entirely through computer-generated signals of sight, sound, touch (and in some cases smell and taste). AR overlays the computer-generated sensory signals on the real world allowing the user to experience a rich juxtaposition of the virtual and the real worlds simultaneously. Together, these technologies are transforming the way people from all walks of life—scientists, engineers, educators, industrial workers, health care professionals, artists, and everyday people— see and use the information that matters most to them, in an intuitive embodied way. Just as mobile technology has revolutionized how we communicate with each other and with our digital worlds, ubiquitous VR and AR will fundamentally alter how our society creates, inspires, engages, and learns from the information-rich and enriched cyberspaces around us. While affordable consumer- quality VR and AR hardware is becoming available, significant work is needed to adopt VR and AR for important and difficult scientific and societal applications.

Virtual Reality, Augmented Reality↗

FInd Gas Source

FIGS is a neural network software that ingests real time synchronized field data on environmental flow fields and turbulence and gas concentration variations at high frequency and uses an error minimization algorithm to locate the gas source and quantify its strength. The software can be interfaced with atmospheric, oceanic and subsurface instruments in a variety of platforms stationary or mobile (e.g. cars, UAVs, submersible vehicles or boreholes) and used to find gas sources by smart use of data and phenomenology. FIGS can be trained by phenomenological model of the flow fields in the environment of interest and/or be calibrated by controlled release. After initial deployment the FIGS learning will grow with time as it accumulates data on source quantification. FIGS can be installed on any computer from small beagle-bones for field deployment/end-use to PC/MACs/main-frame for training/analysis. FIGS has been trained (using LANL's high resolution atmospheric simulations) and calibrated, tested and evaluated in the field and shown to perform well in finding and quantifying methane leaks at 10-100m scales at well pads by ingesting atmospheric measurements. The code is applicable to gas and particle source location at large scales.

Travis, Bryan↗

Characterization of Urban Air Mobility Vehicle Operational Noise and Community Noise Impact

This presentation focuses on the process for predicting urban air mobility (UAM) vehicle noise at the source and how that can be used to estimate and mitigate the impact on the community. Following conceptual design, in which the vehicle is appropriately sized for its intended mission, a comprehensive analysis must be performed for a range of operating conditions spanning the flight envelope to determine the corresponding configurations of the vehicle, that is, the trimmed states. Many UAM vehicles have redundant controls, so the trimmed state for any particular operating condition may not be unique, with some states producing more noise than others. For each trimmed state, the noise produced by each source, for example, steady and unsteady rotor noise, inclusive of propulsion airframe aeroacoustic effects, may be computed and so-called source noise (hemi)spheres generated. The data may be used for analyses supporting noise certification or serve as input to auralizations (turning the numerical data into an audible sound) that can subsequently be used as part of a perception-influenced acoustic design process. Land use planning tools, including those using simulation and integrated modeling approaches, also use these (or derived) data to generate noise exposure maps on the ground. Finally, the data may be used to support development of low noise flight operations using an acoustic flight simulator or acoustically aware flight control.

urban air mobility↗

Delayed damage accumulation by athermal suppression of defect production in concentrated solid solution alloys

A combined experimental and computational evaluation of damage accumulation in ion-irradiated Ni, NiFe, and NiFeCoCr is presented. Furthermore, a suppressed damage accumulation, at early stages (low-fluence irradiation), is revealed in NiFeCoCr, with a linear dependence as a function of ion fluence, in sharp contrast with Ni and NiFe. This effect, observed at 16 K, is attributed to the complex energy landscape in these alloys that limits defect mobility and therefore enhances defect interaction and recombination. Our results, together with previous room-temperature and high-temperature investigations, suggest "self-healing" as an intrinsic property of complex alloys that is not a thermally activated process.

36 MATERIALS SCIENCE↗

Simple autonomous Mars walker

Under a contract with NASA's Jet Propulsion Laboratory, Martin Marietta has developed several alternative rover concepts for unmanned exploration of the planet Mars. One of those concepts, the 'Walking Beam', is the subject of this paper. This concept was developed with the goal of achieving many of the capabilities of more sophisticated articulated-leg walkers with a much simpler, more robust, less computationally demanding and more power efficient design. It consists of two large-base tripods nested one within the other which alternately translate with respect to each other along a 5-meter beam to propel the vehicle. The semiautonomous navigation system relies on terrain geometry sensors and tacticle feedback from each foot to autonomously select a path which avoids hazards along a route designated from earth. Both mobility and navigation features of this concept are discussed including a top-level description of the vehicle's physical characteristics, deployment strategy, mobility elements, sensor suite, theory of operation, navigation and control processes, and estimated performance.

Larimer, Stanley J.↗

Motion Control of Rover-Mounted Manipulators

This paper presents a simple online approach for motion control of rover-mounted manipulators. An integrated kinetic model of the rover-plus-manipulator system is derived which incorporates the nonholonomic rover constraint with the holonomic end-effector constraint. The redundancy introduced by the rover mobility is exploited to perform a set of user-specified additional tasks during end-effector motion. The configuration control approach is utilized to satisfy the nonholonomic rover constraint, while accomplishing the end-effector motion and the redundancy resolution goal simultaneously. This framework allows the user to assign weighting factors to the rover movement and manipulator motion, as well as to each task specification. The computational efficiency of the control scheme makes it particularly suitable for real-time implementation. The proposed method is applied to a planar two-jointed arm mounted on a rover, and computer simulation results are presented for illustration.

robotics rover manipulator holonomic end-effector ↗

Uncertainty Propagation in Pre-Flight Prediction of Unmanned Aerial Vehicle Separation Violation

Current forecasts on the future of aeronautics suggest an in- creasing number of unmanned aerial vehicles entering the low- altitude airspace in the next decades (FAA, 2018; Kopardekar et al., 2016). Small vehicles for package delivery as well as larger vehicles for urban air mobility will change the airspace drastically, increasing density of operations both in time, i.e. high number of take-off and landings per unit time, and in space, operating in dense urban environment. This scenario poses challenges to the current approach to air traffic control, and large efforts from academia, industry and regulatory bodies are dedicated to the development of new traffic management strategies that leverage higher computing and simulating capabilities available today. In this paper, we propose a simple look-ahead approach to predict potential minimum separation violations at the strategic level, that is before vehicles start flying, depending on the predefined 4D trajectories and uncertainty affecting the wind acting along those routes. The wind field is extracted from the NOAA North America Mesoscale Forecast System and interpolated using Gaussian process regression, while uncertainty affecting the expected cruise airspeed is propagated through error intervals. The approach allows the prediction of aircraft separation as a function of time, highlighting potential safety violations that would go undetected if uncertainty affecting the expected 4D trajectories is not considered. The paper will also discuss issues related to accuracy and scalability of the approach to multiple vehicle operations.

Trajectory Prediction↗

Simulation of the Rotorwash Induced by a Quadrotor Urban Air Taxi in Ground Effect

A rotorcraft hovering near the ground causes downwash and outwash. The impact of these induced velocities on urban air mobility operations has not been extensively quantified. This paper explores the opportunity of using CFD to perform dedicated studies on the aerodynamics of rotorcraft in ground effect (IGE). For this purpose, we compare load and flow predictions obtained with the high-fidelity CFD solver OVERFLOW and with a medium-fidelity vortex particle-mesh (VPM) method, for a single rotor IGE. We show that the computational cost of high-fidelity simulation makes it impractical to sweep through a large number of configurations or operating conditions. However, a small set of cases can be used to verify a medium-fidelity tool. The latter provides a better trade-off between “accuracy” and computational intensity, which enables numerous, longer simulations at a more affordable cost. As an example, the outwash flow is computed for two different designs of a quadrotor air taxi in hover and reveals the existence of increased velocities between the rotors. This work illustrates how CFD can help identify dangerous areas for passengers and ground personnel when they approach the vehicle.

HECC↗

Testing Mars 2020 Flight Software and Hardware in the Surface System Development Environment

The Mars 2020 (M2020) Perseverance Rover is NASA's most advanced planetary rover mission to date. It includes a novel Sample Caching Subsystem (SCS) which will collect rock cores for possible future return to Earth, as well as an improved mobility system with enhanced autonomous navigation which will enable it to traverse faster and farther than prior rovers. The development of both systems required extensive flight software and flight hardware testing. To support this testing, we developed the Surface System Development Environment (SSDEV) and used it for a wide variety of testing. SSDEV is a bundled subset of M2020 Flight Software which runs on commercially available Linux computers and can be combined with multiple backend options for simulation and hardware control. The SSDEV architecture enabled our teams to perform much more testing of flight software and flight hardware than would have otherwise been possible. As a secondary benefit, the SSDEV-based test campaigns also helped our teams enter the operations phase of the mission with greater readiness of operations products and tools. In this paper, we summarize the motivation for SSDEV, provide an overview of the SSDEV architecture, list several examples of how SSDEV was used, and summarize lessons learned. SSDEV is not a substitute for integrated testing with flight-like avionics, but it enabled substantially more testing than would have otherwise been possible and also provided some unique benefits. We recommend architectures like SSDEV to future projects that need to perform extensive hardware and software testing using a limited set of flight-like avionics.

Wai, Dennis↗

Cation Molecular Structure Affects Mobility and Transport of Electrolytes in Porous Carbons

We examined the electrosorption and ion dynamics of imidazolium-based room temperature ionic liquids (RTILs) having short (3-carbon, C3mim + ) and long (12-carbon, C12mim + ) cations, that is, 1-propyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (C3mimTFSI) and 1-dodecyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (C12mimTFSI), confined in ordered mesoporous carbon (OMC) and analyzed the influence of the cation alkyl chain length on the ion dynamics and the capacitive behavior using electrochemical measurements together with quasi-elastic neutron scattering (QENS) observations and classical density functional theory (cDFT) computations. Electrochemical tests highlighted the significant influence of specific applied potentials on accumulated charge storage densities and on the limits of saturation of larger electrolytes in the pores. Computational analyses corroborated these findings and predicted a 16% increase in the capacitance of the smaller-cation electrolyte under high applied potentials. However, QENS experiments revealed a behavior of decoupling of alkyl chain dynamics from the ring in electrolytes with larger ions. cDFT calculations identified density spikes for C12mim + away from the pore walls to further corroborate this unique behavior. Here, our insights into chain length-dependent dynamics and electrosorption in complex electrolyte-electrode systems deepen fundamental understanding of confined RTIL electrolyte behavior in the porous carbon electrodes.

25 ENERGY STORAGE↗

Air Traffic Management-eXploration Testbed for Urban Air Mobility Research and Development

The presentation will describe the architecture, current capabilities and some future enhancements of the testbed that is being developed at the National Aeronautics and Space Administration (NASA) to enable benefit, impact, safety and cost assessments for accelerating the deployment of air traffic management concept and technologies in the national airspace system. The testbed will support analysis of operational feasibility of urban air mobility operations, a part of NASA's Air Traffic Management eXploration project, and provide the data needed by regulatory agencies charged with public safety. Introduction of concepts and technologies, especially new concepts and technologies, is difficult and often takes decades because of the inability to assess the operational impact of the interaction between the proposed concept and technology and operationally deployed systems in terms of system-wide safety, traffic flow efficiency, roles and workload of controllers and traffic managers, and impact on airlines and other operators. To overcome these limitations, the testbed is developing infrastructure to enable mathematical modeling, human-in-the-loop evaluations and testing with operational systems in a simulated environment. In addition to the difficulty of establishing communications between geographically distributed systems, downloading/installing software, and management of startup, error-handling and shutdown, a major impediment for conducting simulations and human-in-the-loop testing with operational systems is the tedious manual scenario generation process. Several of these difficulties have been addressed in the current state of the testbed. The testbed can be described in terms of the following elements (1) web-based frontend and backend, (2) Testbed Builder, (3) Data Distribution Service, (4) Component Library, (5) Simulation Management, and (6) Scenario Generation. The web-based frontend and backend enable the user to interact with the testbed for tasks such as composing a simulation, running a simulation and retrieving output data. The Testbed Builder application launched from the web frontend is a graphical user interface for the user to drag-and-drop and connect predefined blocks for composing a simulation/scenario generation task. The Builder writes a set of instructions for Simulation Management based on the links between the blocks and the block properties such as the component (executable) associated with a particular block. Management of the distributed simulation is accomplished by Execution and Component Managers. Execution Manager interprets the instructions provided by the Builder to instruct the Component Managers to download components from the Component Library to specified computers and to start them up. Once started, the components communicate with each other by publishing messages and subscribing to messages that are delivered by the Data Distribution Service. The Scenario Generation capability can be used for creating traffic scenarios for Multi-Aircraft Control System, which has been used extensively at NASA for human-in-the-loop-based concept evaluations. The presentation will provide a testbed enabled example scenario of Multi-Aircraft Control System based simulation in which the urban air mobility pilot using the conflict detection and resolution system would interact with the air traffic controllers for resolving conflicts with other aircraft during terminal area operations.

Testbed↗

Air Traffic Management-eXploration Testbed for Urban Air Mobility Research and Development

The presentation will describe the architecture, current capabilities and some future enhancements of the testbed that is being developed at the National Aeronautics and Space Administration (NASA) to enable benefit, impact, safety and cost assessments for accelerating the deployment of air traffic management concept and technologies in the national airspace system. The testbed will support analysis of operational feasibility of urban air mobility operations, a part of NASA's Air Traffic Management eXploration project, and provide the data needed by regulatory agencies charged with public safety. Introduction of concepts and technologies, especially new concepts and technologies, is difficult and often takes decades because of the inability to assess the operational impact of the interaction between the proposed concept and technology and operationally deployed systems in terms of system-wide safety, traffic flow efficiency, roles and workload of controllers and traffic managers, and impact on airlines and other operators. To overcome these limitations, the testbed is developing infrastructure to enable mathematical modeling, human-in-the-loop evaluations and testing with operational systems in a simulated environment. In addition to the difficulty of establishing communications between geographically distributed systems, downloading/installing software, and management of startup, error-handling and shutdown, a major impediment for conducting simulations and human-in-the-loop testing with operational systems is the tedious manual scenario generation process. Several of these difficulties have been addressed in the current state of the testbed. The testbed can be described in terms of the following elements- (1) web-based frontend and backend, (2) Testbed Builder, (3) Data Distribution Service, (4) Component Library, (5) Simulation Management, and (6) Scenario Generation. The web-based frontend and backend enable the user to interact with the testbed for tasks such as composing a simulation, running a simulation and retrieving output data. The Testbed Builder application launched from the web frontend is a graphical user interface for the user to drag-and-drop and connect predefined blocks for composing a simulation/scenario generation task. The Builder writes a set of instructions for Simulation Management based on the links between the blocks and the block properties such as the component (executable) associated with a particular block. Management of the distributed simulation is accomplished by Execution and Component Managers. Execution Manager interprets the instructions provided by the Builder to instruct the Component Managers to download components from the Component Library to specified computers and to start them up. Once started, the components communicate with each other by publishing messages and subscribing to messages that are delivered by the Data Distribution Service. The Scenario Generation capability can be used for creating traffic scenarios for Multi-Aircraft Control System, which has been used extensively at NASA for human-in-the-loop-based concept evaluations. The presentation will provide a testbed enabled example scenario of Multi-Aircraft Control System based simulation in which the urban air mobility pilot using the conflict detection and resolution system would interact with the air traffic controllers for resolving conflicts with other aircraft during terminal area operations.

Simulation↗

Velocity dependent dislocation drag from phonon wind and crystal geometry

The mobility of dislocations is an important factor in understanding material strength. Dislocations experience a drag due to their interaction with the crystal structure, the dominating contribution at high stress and temperature being the scattering off phonons due to phonon wind. Yet, the velocity dependence of this effect has eluded a good theoretical understanding. In a previous work, dislocation drag from phonon wind as a function of velocity was computed from first principles in the isotropic limit, in part for simplicity, but also arguing that macroscopically, a polycrystalline metal looks isotropic. However, since the single crystal grains are typically a few microns up to a millimeter in size, dislocations travel in single crystals and cross boundaries, but never actually see an isotropic material. In this work we therefore highlight the effect of crystal anisotropy on dislocation drag by accounting for the crystal and slip plane geometries. In particular, we keep the phonon spectrum isotropic for simplicity, but dislocations are modeled according to the crystal symmetry (bcc, fcc, hcp, etc.). We then compare to the earlier purely isotropic results, as well as to experimental data and MD simulations where they are available.

36 MATERIALS SCIENCE↗

Photoinduced Electron–Nuclear Dynamics of Fullerene and Its Monolayer Networks in Solvated Environments

The recently synthesized monolayer fullerene network in a quasi-hexagonal phase (qHP-C 60 ) exhibits superior electron mobility and optoelectronic properties compared to molecular fullerene (C 60 ), making it highly promising for a variety of applications. However, the microscopic carrier dynamics of qHP-C 60 remain unclear, particularly in realistic environments, which are of significant importance for applications in optoelectronic devices. Unfortunately, traditional ab initio methods are prohibitive for capturing the real-time carrier dynamics of such large systems due to their high computational cost. In this work, we present the first real-time electron–nuclear dynamics study of qHP-C 60 using velocity-gauge density functional tight binding, which enables us to perform several picoseconds of excited-state electron–nuclear dynamics simulations for nanoscale systems with periodic boundary conditions. When applied to C 60 , qHP-C 60 , and their solvated counterparts, we demonstrate that water/moisture significantly increases the electron–hole recombination time in C 60 but has little impact on qHP-C 60 . Our excited-state electron–nuclear dynamics calculations show that qHP-C 60 is extremely unique and enable exploration of time-resolved dynamics for understanding excited-state processes of large systems in complex, solvated environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Flow-induced vibrations of the SSME LOX inlet tee vanes

This paper describes the results of a program initiated to identify the cause and the mechanism of 4-kHz vibrations of the Space Shuttle main engine's (SSME's) LOX inlet tee, which were revealed in 17 percent of the SSMEs during ground tests. The results of the engines' inspection, structural analyses, computational fluid dynamics studies, literature reviews, expert consultations, and laboratory testings identified the probable cause of the 4-kHz vibrations being related to the fact that the walls of some tees were thinner than in the mojority of tees, resulting in less stiff structures. The mechanism of the vibrations was identified as vortex shedding in combination with a structural coupling with the thrust cone, which increased the vane mobility, which, in turn, aggravated the fluid coupling with the thrust cone. As a result, the vane mobility was increased, aggravating the fluid coupling with the vanes. An internal modification was developed and was successfully demonstrated on an engine that had previously exhibited a 4-kHz problem.

O'Connor, G. M.↗