Learning dislocation dynamics mobility laws from large-scale MD simulations
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97 MATHEMATICS AND COMPUTING↗
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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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Synchronization of mobile chaotic oscillator networks
We study synchronization of systems in which agents holding chaotic oscillators move in a two-dimensional plane and interact with nearby ones forming a time dependent network. Due to the uncertainty in observing other agents' states, we assume that the interaction contains a certain amount of noise that turns out to be relevant for chaotic dynamics. We find that a synchronization transition takes place by changing a control parameter. But this transition depends on the relative dynamic scale of motion and interaction. When the topology change is slow, we observe an intermittent switching between laminar and burst states close to the transition due to small noise. This novel type of synchronization transition and intermittency can happen even when complete synchronization is linearly stable in the absence of noise. We show that the linear stability of the synchronized state is not a sufficient condition for its stability due to strong fluctuations of the transverse Lyapunov exponent associated with a slow network topology change. Since this effect can be observed within the linearized dynamics, we can expect such an effect in the temporal networks with noisy chaotic oscillators, irrespective of the details of the oscillator dynamics. When the topology change is fast, a linearized approximation describes well the dynamics towards synchrony. These results imply that the fluctuations of the finite-time transverse Lyapunov exponent should also be taken into account to estimate synchronization of the mobile contact networks.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Ion manipulations in structures for lossless ion manipulations (SLIM): computational evaluation of a 90° turn and a switch
The process of redirecting ions through 90° turns and ‘tee’ switches utilizing Structures for Lossless Ion Manipulations (SLIM) was evaluated using theoretical and simulation methods at 4 Torr pressure. SIMION simulations were used to optimize and evaluate conditions for performing turns without loss of signal intensity or ion mobility resolving power. Fundamental considerations indicated that the “race track” effect during ion turns may incur only small losses to the ion mobility resolving power at 4 Torr pressure for the typical plume widths predicted in an optimized SLIM ‘tee’ switch design. The dynamic switching of ions into orthogonal channels was also evaluated using SIMION ion trajectory simulations, and achieved similar performance. Simulation results were in close agreement with experimental results and were used to refine SLIM designs and applied potentials for their use.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DS-CDMA satellite diversity reception for personal satellite communication: Downlink performance analysis
The downlink of a satellite-mobile personal communication system employing power-controlled Direct Sequence Code Division Multiple Access (DS-CDMA) and exploiting satellite-diversity is analyzed and its performance compared with a more traditional communication system utilizing single satellite reception. The analytical model developed has been thoroughly validated by means of extensive Monte Carlo computer simulations. It is shown how the capacity gain provided by diversity reception shrinks considerably in the presence of increasing traffic or in the case of light shadowing conditions. Moreover, the quantitative results tend to indicate that to combat system capacity reduction due to intra-system interference, no more than two satellites shall be active over the same region. To achieve higher system capacity, differently from terrestrial cellular systems, Multi-User Detection (MUD) techniques are likely to be required in the mobile user terminal, thus considerably increasing its complexity.
DeGaudenzi, Riccardo↗
Who's Got the Bridge? - Towards Safe, Robust Autonomous Operations at NASA Langley's Autonomy Incubator
NASA aeronautics research has made decades of contributions to aviation. Both aircraft and air traffic management (ATM) systems in use today contain NASA-developed and NASA sponsored technologies that improve safety and efficiency. Recent innovations in robotics and autonomy for automobiles and unmanned systems point to a future with increased personal mobility and access to transportation, including aviation. Automation and autonomous operations will transform the way we move people and goods. Achieving this mobility will require safe, robust, reliable operations for both the vehicle and the airspace and challenges to this inevitable future are being addressed now in government labs, universities, and industry. These challenges are the focus of NASA Langley Research Center's Autonomy Incubator whose R&D portfolio includes mission planning, trajectory and path planning, object detection and avoidance, object classification, sensor fusion, controls, machine learning, computer vision, human-machine teaming, geo-containment, open architecture design and development, as well as the test and evaluation environment that will be critical to prove system reliability and support certification. Safe autonomous operations will be enabled via onboard sensing and perception systems in both data-rich and data-deprived environments. Applied autonomy will enable safety, efficiency and unprecedented mobility as people and goods take to the skies tomorrow just as we do on the road today.
Allen, B. Danette↗
Soil porous microstructure control over soil organic matter mobility: A multimethod workflow for understanding chemistry-dependent organic matter binding in soil
Soil organic matter (SOM) has attracted a great deal of interest; particularly for its potential to mitigate human derived CO 2 emissions. Studies have demonstrated that SOM plays a critical role in carbon storage and CO 2 sequestration. However, the sorption properties of SOM, which influence its transport in pore water and stabilization within the soil, remain poorly understood. This study develops a workflow to: (1) examine compound-specific advective and diffusive transport and desorption behaviors, (2) quantify desorption rates through stop-flow and continuous-flow column experiments, and (3) evaluate the impact of soil microporosity on SOM mobility using high-resolution imaging and extractions. Intact core column experiments were conducted on Uncultivated (Natural) and Cultivated soil samples, both were arid soils, collected in Washington State. X-ray computed tomography was employed to measure porosity and pore connectivity, while Fourier-transform ion cyclotron resonance mass spectrometry was used to analyze SOM composition. The findings revealed that cultivation increased total carbon and nitrogen levels due to irrigation and fertilization, enhancing carbon capture potential in arid soils. In contrast, the Natural soil, characterized by higher porosity and connectivity, contained more oxidized carbon. Pore network analysis indicated that soil compaction in the Cultivated soil may lead to longer diffusion pathways, significantly influencing SOM transport and stability.
Hydraulic Properties↗
Exploring the relation between transonic dislocation glide and stacking fault width in FCC metals
Theory predicts limiting gliding velocities that dislocations cannot overcome. Computational and recent experiments have shown that these limiting velocities are soft barriers and dislocations can reach transonic speeds in high rate plastic deformation scenarios. In this paper we systematically examine the mobility of edge and screw dislocations in several face centered cubic (FCC) metals (Al, Au, Pt, and Ni) in the extreme large-applied-stress regime using molecular dynamics simulations. Our results show that edge dislocations are more likely to move at transonic velocities due to their high mobility and lower limiting velocity than screw dislocations. Importantly, among the considered FCC metals, the dislocation core structure determines the dislocation’s ability to reach transonic velocities. This is likely due to the variation in stacking fault width due to relativistic effects near the limiting velocities.
36 MATERIALS SCIENCE↗
Surrogate Modeling for Capacity Planning of Charging Station Equipped With Photovoltaic Panel and Hydropneumatic Energy Storage
Due to the promising potential for environmental sustainability, there has been a significant increase of electric vehicles (EVs) and plug-in hybrid electric vehicles (PHEV) in the market. To support this increasing demand for EVs and PHEVs, challenges related to capacity planning and investment costs of public charging infrastructure must be addressed. Hence, in this paper, a capacity planning problem for charging stations is developed and aims to balance the current capital investment costs and future operational revenue. The charging station is assumed to be equipped with the solar photovoltaic (PV) panel and an energy storage system, which could be electric battery or recently invented hydropneumatic energy storage (ground-level integrated diverse energy storage (GLIDES)) system. A co-optimization model that minimizes investment and operation cost is established to determine optimal solution while considering capacity planning and following operations. EV mobility is modeled as an Erlang-loss system. Meanwhile, stochastic programming is adopted to capture uncertainties from solar radiation and charging demand of EV fleet. To provide a more general and computationally efficient model, main configuration parameters are sampled in design space and then fixed in solving the co-optimization model. Sampled parameters include EV charging slots number, PV area, capacity of energy storage system, and daily mean EV arrival number. Based on the sampled parameter combinations and its responses, black-box mappings are then constructed using surrogate models, which could provide insights for charging station placement in different practical situations. The effectiveness of the proposed surrogate modeling approach is demonstrated in numerical experiments. Here, the results indicate better profit advantage of GLIDES over battery system with the increased power capacity
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Identification of structural parameters from helicopter dynamic test data
A method is presented for obtaining the mass, stiffness, and damping parameters of a linear mathematical model, having fewer degrees of freedom than the structure it represents, directly from dynamic response measurements on the actual helicopter without a priori knowledge of the physical characteristics of the fuselage. The only input information required in the formulation is the approximate natural frequency of each mode and mobility data measured proximate to these frequencies with sinusoidal force excitation applied at only one point on the vehicle. The practicality and numerical soundness of the theoretical development was demonstrated through a computer simulation of an experimental program.
Giansante, N.↗
A Scalable, Out-of-Band Diagnostics Architecture for International Space Station Systems Support
The computational infrastructure of the International Space Station (ISS) is a dynamic system that supports multiple vehicle subsystems such as Caution and Warning, Electrical Power Systems and Command and Data Handling (C&DH), as well as scientific payloads of varying size and complexity. The dynamic nature of the ISS configuration coupled with the increased demand for payload support places a significant burden on the inherently resource constrained computational infrastructure of the ISS. Onboard system diagnostics applications are hosted on computers that are elements of the avionics network while ground-based diagnostic applications receive only a subset of available telemetry, down-linked via S-band communications. In this paper we propose a scalable, out-of-band diagnostics architecture for ISS systems support that uses a read-only connection for C&DH data acquisition, which provides a lower cost of deployment and maintenance (versus a higher criticality readwrite connection). The diagnostics processing burden is off-loaded from the avionics network to elements of the on-board LAN that have a lower overall cost of operation and increased computational capacity. A superset of diagnostic data, richer in content than the configured telemetry, is made available to Advanced Diagnostic System (ADS) clients running on wireless handheld devices, affording the crew greater mobility for troubleshooting and providing improved insight into vehicle state. The superset of diagnostic data is made available to the ground in near real-time via an out-of band downlink, providing a high level of fidelity between vehicle state and test, training and operational facilities on the ground.
Fletcher, Daryl P.↗
Detecting the Use of Intentionally Transmitting Personal Electronic Devices Onboard Commercial Aircraft
The need to detect unauthorized usage of intentionally transmitting portable electronic devices (PEDs) onboard commercial aircraft is growing, while still allowing passengers to use selected unintentionally transmitting devices, such as laptop computers and CD players during non-critical stages of flight. The following paper presents an installed system for detecting PEDs over multiple frequency bands. Additionally, the advantages of a fixed verses mobile system are discussed. While data is presented to cover the frequency range of 20 MHz to 6.5 GHz, special attention was given to the Cellular/PCS bands as well as Bluetooth and the FRS radio bands. Measurement data from both the semi-anechoic and reverberation chambers are then analyzed and correlated with data collected onboard a commercial aircraft to determine the dominant mode of coupling inside the passenger cabin of the aircraft versus distance from the source. As a final check of system feasibility, several PEDs transmission signatures were recorded and compared with the expected levels.
Woods, Randy↗
Helping Video Games Rewire "Our Minds"
Biofeedback-modulated video games are games that respond to physiological signals as well as mouse, joystick or game controller input; they embody the concept of improving physiological functioning by rewarding specific healthy body signals with success at playing a video game. The NASA patented biofeedback-modulated game method blends biofeedback into popular off-the- shelf video games in such a way that the games do not lose their entertainment value. This method uses physiological signals (e.g., electroencephalogram frequency band ratio) not simply to drive a biofeedback display directly, or periodically modify a task as in other systems, but to continuously modulate parameters (e.g., game character speed and mobility) of a game task in real time while the game task is being performed by other means (e.g., a game controller). Biofeedback-modulated video games represent a new generation of computer and video game environments that train valuable mental skills beyond eye-hand coordination. These psychophysiological training technologies are poised to exploit the revolution in interactive multimedia home entertainment for the personal improvement, not just the diversion, of the user.
Pope, Alan T.↗
Safe and Precise Landing Integrated Capabilities Evolution (SPLICE) Imagery of Sensors
Collection of imagery of SPLICE hardware and software visualization. Descent Landing Computer ETU Open Frame Chassis (OFC). ETU pictures of the GSFC Hazard Detection Lidar during assembly. Prototype picture of the delivered Psionic Navigation Doppler Lidar, including testing with a three-dimensional mobile target. Visualization of a lunar lander simulation using the Dual Quaternion Guidance, demonstrating pointing of a mounted hazard lidar, and then diverting to a selected safe site.
Guidance Navigation and Control↗
HERMIES-3: A step toward autonomous mobility, manipulation, and perception
HERMIES-III is an autonomous robot comprised of a seven degree-of-freedom (DOF) manipulator designed for human scale tasks, a laser range finder, a sonar array, an omni-directional wheel-driven chassis, multiple cameras, and a dual computer system containing a 16-node hypercube expandable to 128 nodes. The current experimental program involves performance of human-scale tasks (e.g., valve manipulation, use of tools), integration of a dexterous manipulator and platform motion in geometrically complex environments, and effective use of multiple cooperating robots (HERMIES-IIB and HERMIES-III). The environment in which the robots operate has been designed to include multiple valves, pipes, meters, obstacles on the floor, valves occluded from view, and multiple paths of differing navigation complexity. The ongoing research program supports the development of autonomous capability for HERMIES-IIB and III to perform complex navigation and manipulation under time constraints, while dealing with imprecise sensory information.
Weisbin, C. R.↗
Communication: Towards first principles theory of relaxation in supercooled liquids formulated in terms of cooperative motion
A general theory of the long time, low temperature dynamics of glass-forming fluids remains elusive despite the almost 20 years since the famous pronouncement by the Nobel Laureate P. W. Anderson, “The deepest and most interesting unsolved problem in solid state theory is probably the theory of the nature of glass and the glass transition” [Science 267, 1615 (1995)]. While recent work indicates that Adam-Gibbs theory (AGT) provides a framework for computing the structural relaxation time of supercooled fluids and for analyzing the properties of the cooperatively rearranging dynamical strings observed in low temperature molecular dynamics simulations, the heuristic nature of AGT has impeded general acceptance due to the lack of a first principles derivation [G. Adam and J. H. Gibbs, J. Chem. Phys. 43, 139 (1965)]. This deficiency is rectified here by a statistical mechanical derivation of AGT that uses transition state theory and the assumption that the transition state is composed of elementary excitations of a string-like form. The strings are assumed to form in equilibrium with the mobile particles in the fluid. Hence, transition state theory requires the strings to be in mutual equilibrium and thus to have the size distribution of a self-assembling system, in accord with the simulations and analyses of Douglas and co-workers. The average relaxation rate is computed as a grand canonical ensemble average over all string sizes, and use of the previously determined relation between configurational entropy and the average cluster size in several model equilibrium self-associating systems produces the AGT expression in a manner enabling further extensions and more fundamental tests of the assumptions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
CFD Simulation of Ignition Overpressure and Plume-Water Interaction in the SLS Scale Model Acoustics Test
The solid rocket boosters (SRBs) on the Space Launch System (SLS) generate powerful ignition overpressure (IOP) waves that can potentially damage the vehicle and surrounding ground structures. Based on historical Shuttle experience, the IOP will be mitigated by utilizing an IOP/Sound Suppression (SS) water system which sprays water in and around the SRB and RS-25 engine plumes. However, the complex multiphase physics of the resulting plume-water interaction can lead to undesirable effects, such as high velocity water spray onto the engine nozzles and SRB nozzle side loads. Prior to launch, insight into this environment can be achieved through scale model testing and predictive computational fluid dynamics (CFD) modeling. The Scale Model Acoustic Test (SMAT) was conducted at Marshall Space Flight Center to provide the data necessary to develop the SLS liftoff acoustic environments by using a 5% scale SLS vehicle, fully integrated with a scaled IOP/SS water system, mobile launcher (ML), and tower. NASA engineers have put forth significant effort in validating the Loci/CHEM-Real Fluids multiphase CFD solver on a wet hold down test from the SMAT series. In this paper, the IOP acoustics and plume-water interactions predicted by the CFD model are compared and validated against the experiment, enabling relatively inexpensive, rapid turnaround for multiphase launch environment analyses to support future flights and design evolutions of SLS and other launch vehicles.
Computational Fluid Dynamics↗
A step towards a holistic assessment of soil degradation in Europe: Coupling on-site erosion with sediment transfer and carbon fluxes
Highlights: • WaTEM/SEDEM was applied to simulate soil loss and deposition rates at European scale. • Our findings indicate that soil loss in the riverine systems is about 15% of RUSLE2015 estimates. • The estimated sediment yield in Europe totals 0.164 ± 0.013 Pg yr{sup −1}. • We estimate a SOC displacement by water erosion in Europe of 14.5 Tg yr{sup −1}. Soil degradation due to erosion is connected to two serious environmental impacts: (i) on-site soil loss and (ii) off-site effects of sediment transfer through the landscape. The potential impact of soil erosion processes on biogeochemical cycles has received increasing attention in the last two decades. Properly designed modelling assumptions on effective soil loss are a key pre-requisite to improve our understanding of the magnitude of nutrients that are mobilized through soil erosion and the resultant effects. The aim of this study is to quantify the potential spatial displacement and transport of soil sediments due to water erosion at European scale. We computed long-term averages of annual soil loss and deposition rates by means of the extensively tested spatially distributed WaTEM/SEDEM model. Our findings indicate that soil loss from Europe in the riverine systems is about 15% of the estimated gross on-site erosion. The estimated sediment yield totals 0.164 ± 0.013 Pg yr{sup −1} (which corresponds to 4.62 ± 0.37 Mg ha{sup −1} yr{sup −1} in the erosion area). The greatest amount of gross on-site erosion as well as soil loss to rivers occurs in the agricultural land (93.5%). By contrast, forestland and other semi-natural vegetation areas experience an overall surplus of sediments which is driven by a re-deposition of sediments eroded from agricultural land. Combining the predicted soil loss rates with the European soil organic carbon (SOC) stock, we estimate a SOC displacement by water erosion of 14.5 Tg yr{sup −1}. The SOC potentially transferred to the riverine system equals to 2.2 Tg yr{sup −1} (~15%). Integrated sediment delivery-biogeochemical models need to answer the question on how carbon mineralization during detachment and transport might be balanced or even off-set by carbon sequestration due to dynamic replacement and sediment burial.
54 ENVIRONMENTAL SCIENCES↗
Intermetallic phase formation in Al-Si-Zr alloys during hot isostatic pressing revealed by experiments and molecular dynamics
Understanding phase transformations at alloy interfaces is critical for the design of advanced structural materials. Here, in this study, we investigate the formation mechanisms of the Al 2 SiZr intermetallic phase in the Al-Si-Zr system under hot isostatic pressing (HIP) using molecular dynamics (MD) simulations and thermodynamic analysis. A unique aspect of our approach in MD involves the replacement of a disordered Al 2 SiZr stoichiometry with an ordered phase at the Al-Zr interface once HIP results in the desired Al 2 SiZr stoichiometry, allowing us to compute the total energetic cost of transformation by accounting for both formation energies and diffusion barriers. Diffusion coefficients and activation energies, extracted across a range of temperatures, reveal that HIP substantially enhances atomic mobility, creating favorable stoichiometry for phase evolution. Our results show that Al 2 SiZr phase formation is kinetically unfavorable at lower temperatures but becomes feasible when the thermodynamic driving energy surpass a critical energy threshold.
Roy, Ankit [Pacific Northwest National Laboratory ↗