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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Experiments on the single-mode Richtmyer–Meshkov instability with reshock at high energy densities

Here, the hydrodynamic instability growth of a reshocked single-mode interface between high energy density fluids is studied. A laser-driven shock wave is used to drive an initially solid, sinusoidal interface between a dense plastic (1.43 g/cc) and a light foam (≈ 0.110 g/cc). After the interface has grown to a nonlinear state where the amplitude is of order of the wavelength, it is reshocked. The reshock compresses the nonlinear perturbation, which then grows at about twice the rate. While the pre-reshock growth rate is sensitive to the initial amplitude and wavelength of the perturbation, the post-reshock growth rate is comparatively insensitive to the initial condition. Qualitatively, we observe that the perturbations are less coherent after reshock, consistent with the idea that having a reshock accelerates the transition to turbulence. We find that some memory of the initial condition remains, even after reshock at late time: it appears if the initial perturbations have large enough wavelengths, and the flow structure of size comparable to the initial wavelength persists through reshock. Our results agree with design simulations and are consistent with the phenomenology of reshock studies in conventional gaseous shock tubes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Perspective on solid-phase epitaxy as a method for searching novel topological phases in pyrochlore iridate thin films

Pyrochlore iridates exhibit various novel topological phenomena due to their topology and electron correlation. Notably, pyrochlore iridate was the first proposed material system shown to host the time-reversal symmetry broken Weyl semimetal phase. After this profound theoretical proposal, extensive experimental attempts have been made to synthesize high-quality samples in both bulk and film forms. In particular, adjusting thin film geometry represents a practical way to tune the U/ t ( U: Coulomb interaction and t: for hopping parameter) and identify the various topological phases in the regime U ~ λ ( λ: spin–orbit interaction). However, the instability of pyrochlore iridates at high temperature and low oxygen pressure has long been a barrier to growing pyrochlore iridate thin films by conventional film growth methods. To overcome this, pyrochlore iridate films have often been grown by the solid-phase epitaxy method, which uses a metastable amorphous layer grown at low temperature. During a high temperature post-annealing process, the layer in contact with a single crystalline substrate will crystallize epitaxially in the solid state by rearranging atoms at the interface. Here, we present a perspective on the solid-phase epitaxy as a method to synthesize epitaxial pyrochlore iridate thin films and a way to search for novel correlated phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2024

GPAW: An open Python package for electronic structure calculations

We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density functional theory (DFT) equations using three different wave-function representations, namely real-space grids, plane waves, and numerical atomic orbitals. The three representations are complementary and mutually independent and can be connected by transformations via the real-space grid. This multi-basis feature renders GPAW highly versatile and unique among similar codes. By virtue of its modular structure, the GPAW code constitutes an ideal platform for the implementation of new features and methodologies. Moreover, it is well integrated with the Atomic Simulation Environment (ASE), providing a flexible and dynamic user interface. In addition to ground-state DFT calculations, GPAW supports many-body GW band structures, optical excitations from the Bethe–Salpeter Equation, variational calculations of excited states in molecules and solids via direct optimization, and real-time propagation of the Kohn–Sham equations within time-dependent DFT. A range of more advanced methods to describe magnetic excitations and non-collinear magnetism in solids are also now available. In addition, GPAW can calculate non-linear optical tensors of solids, charged crystal point defects, and much more. Recently, support for graphics processing unit (GPU) acceleration has been achieved with minor modifications to the GPAW code thanks to the CuPy library. We end the review with an outlook, describing some future plans for GPAW.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Probing specific ion effects at air-aqueous dibutyl phosphate interfaces using vibrational sum frequency generation spectroscopy

Molecular properties at air–liquid and liquid–liquid interface hold the key to many processes involving molecular transport across phase boundaries from aerosol formation to carbon cycling and material separation using solvent extraction techniques. Using dibutyl phosphate (DBP) as a representative for partially aqueous soluble surfactants, the specific ion effect (SIE) of the Hofmeister series cations Cs + , Na + , Li + , and Mg 2+ on the partition and interaction between surfactant molecules and water molecules in the air–aqueous interface are investigated using vibrational sum frequency generation spectroscopy and surface tension measurements. In the presence of 1 mM and 1M bulk aqueous phase ionic strength salt concentrations, fundamental qualitative relationships are observed for the salting out of DBP relative to bulk aqueous phase nitrate salt concentrations and the specific cations species. At 1 mM ionic strength, the interfacial charge and hence the interfacial potential modulates the electrostatic interactions; in particular, the counter cations partially screen the negatively charged interface induced by the DBP in a direct Hofmeister order. At 1M ionic strength, the electric field at the interface or interfacial potential is effectively neutralized, and the counter cations promote the partitioning of DBP to the interface depending on their specific interaction with the DBP head group and metal ion hydration properties. The present results lay a foundation to study SIEs of heavier metals on hydrophobic-aqueous DBP interfaces.

Louie, Christina [Washington State University, Pul↗
DOE OSTI2024

Asymmetric fluctuations and self-folding of active interfaces

We study the structure and dynamics of the interface separating a passive fluid from a microtubule-based active fluid. Turbulent-like active flows power giant interfacial fluctuations, which exhibit pronounced asymmetry between regions of positive and negative curvature. Experiments, numerical simulations, and theoretical arguments reveal how the interface breaks up the spatial symmetry of the fundamental bend instability to generate local vortical flows that lead to asymmetric interface fluctuations. The magnitude of interface deformations increases with activity: In the high activity limit, the interface self-folds invaginating passive droplets and generating a foam-like phase, where active fluid is perforated with passive droplets. These results demonstrate how active stresses control the structure, dynamics, and break-up of soft, deformable, and reconfigurable liquid–liquid interfaces.

active fluid↗
DOE OSTI2018

Superconducting Tunneling Spectroscopy of Spin-Orbit Coupling and Orbital Depairing in Nb : SrTiO 3

We have examined here the intrinsic spin-orbit coupling and orbital depairing in thin films of Nb-doped ${\mathrm{SrTiO}}_{3}$ by superconducting tunneling spectroscopy. The orbital depairing is geometrically suppressed in the two-dimensional limit, enabling a quantitative evaluation of the Fermi level spin-orbit scattering using Maki's theory. The response of the superconducting gap under in-plane magnetic fields demonstrates short spin-orbit scattering times ${{\tau}}_{\mathrm{so}}{\le}1.1\text{ }\text{ }\mathrm{ps}$. Analysis of the orbital depairing indicates that the heavy electron band contributes significantly to pairing. These results suggest that the intrinsic spin-orbit scattering time in ${\mathrm{SrTiO}}_{3}$ is comparable to those associated with Rashba effects in ${\mathrm{SrTiO}}_{3}$ interfacial conducting layers and can be considered significant in all forms of superconductivity in ${\mathrm{SrTiO}}_{3}$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Communication—Demonstration and Electrochemistry of a Self-Forming Solid State Rechargeable LiI(HPN) 2 Based Li/I 2 Battery

While solid state electrolytes hold promise for safer batteries, the lithium/solid-state electrolyte interface has presented challenges. In this paper, we report a fully self-forming solid state rechargeable battery based on the Li/I2 couple using LiI rich lithium iodide-(3-hydroxyproprionitrile)2 electrolyte. Effective charge-discharge cycling was demonstrated, showing promise for future generations of high energy density self-forming, self-healing batteries.

25 ENERGY STORAGE↗
NASA NTRS1976

Model for thickness dependence of radiation charging in MOS structures

The model considers charge buildup in MOS structures due to hole trapping in the oxide and the creation of sheet charge at the silicon interface. The contribution of hole trapping causes the flatband voltage to increase with thickness in a manner in which square and cube dependences are limiting cases. Experimental measurements on samples covering a 200 - 1000 A range of oxide thickness are consistent with the model, using independently obtained values of hole-trapping parameters. An important finding of our experimental results is that a negative interface charge contribution due to surface states created during irradiation compensates most of the positive charge in the oxide at flatband. The tendency of the surface states to 'track' the positive charge buildup in the oxide, for all thicknesses, applies both in creation during irradiation and in annihilation during annealing. An explanation is proposed based on the common defect origin of hole traps and potential surface states.

Viswanathan, C. R.↗
NASA NTRS1987

Teleoperator and robotics system analysis

The Orbital Maneuvering Vehicle (OMV) was designed to operate as a remotely controlled space teleoperator. The design and implementation of OMM (a mathematical model of the OMV) are discussed. The State Vector Transformation Module (SVX), an interface between the OMV simulation model and the mobile base (TOM-B) of the flat floor simulation system is described. A summary of testing procedures and conclusions are presented together with the test data obtained.

Teoh, William↗
NASA NTRS1994

Mission Operations Centers (MOCs): Integrating key spacecraft ground data system components

In an environment characterized by decreasing budgets, limited system development time, and user needs for increased capabilities, the Mission Operations Division (MOD) at the National Aeronautics and Space Administration Goddard Space Flight Center initiated a new, cost-effective concept in developing its spacecraft ground data systems: the Mission Operations Center (MOC). In the MOC approach, key components are integrated into a comprehensive and cohesive spacecraft planning, monitoring, command, and control system with a single, state-of-the-art graphical user interface. The MOD is currently implementing MOC's, which feature a common, reusable, and extendable system architecture, to support the X-Ray Timing Explorer (XTE), Tropical Rainfall Measuring Mission (TRMM), and Advanced Composition Explorer (ACE) missions. As a result of the MOC approach, mission operations are integrated, and users can, with a single system, perform real-time health and safety monitoring, real-time command and control, real-time attitude processing, real-time and predictive graphical spacecraft monitoring, trend analysis, mission planning and scheduling, command generation and management, network scheduling, guide star selection, and (using an expert system) spacecraft monitoring and fault isolation. The MOD is also implementing its test and training simulators under the new MOC management structure. This paper describes the MOC concept, the management approaches used in developing MOC systems, the technologies employed and the development process improvement initiatives applied in implementing MOC systems, and the expected benefits to both the user and the mission project in using the MOC approach.

Harbaugh, Randy↗
NASA NTRS1995

Pressure correlations at a fluid/structure interface

The structure of pressure-pressure correlations at the interface of an incompressible steady-state turbulent flow with a rigid boundary was investigated. For the sake of completeness, the absolute value of the correlation between two random varying functions is herein defined as a number greater than or equal to zero and less than or equal to unity which is a measure of that fraction of one of the functions that 'follows' the second function (or vice versa). It was found that the soughtafter correlations can be determined by consideration of the high Re Navier-Stokes equation, but that the complexity of boundary layer turbulence, in particular the inhomogeneity perpendicular to the boundary and the anisotropy due to convective flow gradients, makes the structure of said correlations extremely difficult to assess. One of the earlier researchers in this field described the quantity under present consideration as 'a quantity which is beyond assessment.' Nonetheless, it was found that under some rather simplifying assumptions the determination of the required structure necessitates the formulation of the related structure of second order two-point correlations of turbulent velocity gradients, as well as third order two-point correlations of velocity gradients. The presence of these latter gradients is due to the nonlinearity in the turbulence ('turbulence self-interaction'). Both of these correlations are scaled, although not similarly, by factors dependent upon the magnitude of the convective flow, which can be modeled using a log law approximation. Fourth order correlations, although present, can be ignored, since they constitute 'higher order terms.' In a slightly more complex situation, it was found that convective flow gradients also have to be incorporated. At the moment, no definitive algebraic information peculiar to pressure-pressure correlations is available in the most highly idealized cases.

Trevino, George↗
NASA NTRS1999

Numerical Analysis of Temperature Gradients and Interface Shape During Directional Solidification of Al and Al-Cu Alloy Under Microgravity Conditions

Numerical modeling was undertaken to analyze the influence of radial thermal gradient on solid/liquid (s/1) interface shape and convection patterns during solidification of pure Al and Al-4 wt% Cu alloy. The objective of the numerical task was to predict the influence of convective velocity on an insoluble particle near a s/l interface. These predictions would then be used to define the minimum gravity level (g) required to investigate the fundamental physics of interaction between a particle and a s/I interface. To satisfy this objective, steady state calculations were performed for different gravity levels and orientations with the gravity vector. ne furnace configuration used in this analysis is the proposed International Space Station Furnace, Quench Module Insert (QMI) 1. Results from a thermal model of the furnace core were used as initial boundary conditions for solidification modeling. General model of binary alloy solidification was based on the finite element code FIDAP. It was found that for the worst case orientation of 90 degrees with the gravity vector and a g level of 10(exp -4)g(sub o) (g(sub o) = 9.8 m/s(exp 2)) the dominant forces acting on the particle would be the fundamental drag and interfacial forces.

Bune, Andris V.↗
NASA NTRS2002

Brahms Mobile Agents: Architecture and Field Tests

We have developed a model-based, distributed architecture that integrates diverse components in a system designed for lunar and planetary surface operations: an astronaut's space suit, cameras, rover/All-Terrain Vehicle (ATV), robotic assistant, other personnel in a local habitat, and a remote mission support team (with time delay). Software processes, called agents, implemented in the Brahms language, run on multiple, mobile platforms. These mobile agents interpret and transform available data to help people and robotic systems coordinate their actions to make operations more safe and efficient. The Brahms-based mobile agent architecture (MAA) uses a novel combination of agent types so the software agents may understand and facilitate communications between people and between system components. A state-of-the-art spoken dialogue interface is integrated with Brahms models, supporting a speech-driven field observation record and rover command system (e.g., return here later and bring this back to the habitat ). This combination of agents, rover, and model-based spoken dialogue interface constitutes a personal assistant. An important aspect of the methodology involves first simulating the entire system in Brahms, then configuring the agents into a run-time system.

Clancey, William J.↗
NASA NTRS2003

Advantages of Brahms for Specifying and Implementing a Multiagent Human-Robotic Exploration System

We have developed a model-based, distributed architecture that integrates diverse components in a system designed for lunar and planetary surface operations: an astronaut's space suit, cameras, all-terrain vehicles, robotic assistant, crew in a local habitat, and mission support team. Software processes ('agents') implemented in the Brahms language, run on multiple, mobile platforms. These mobile agents interpret and transform available data to help people and robotic systems coordinate their actions to make operations more safe and efficient. The Brahms-based mobile agent architecture (MAA) uses a novel combination of agent types so the software agents may understand and facilitate communications between people and between system components. A state-of-the-art spoken dialogue interface is integrated with Brahms models, supporting a speech-driven field observation record and rover command system. An important aspect of the methodology involves first simulating the entire system in Brahms, then configuring the agents into a runtime system Thus, Brahms provides a language, engine, and system builder's toolkit for specifying and implementing multiagent systems.

Clancey, William J.↗
NASA NTRS2003

Mobile Agents: A Distributed Voice-Commanded Sensory and Robotic System for Surface EVA Assistance

A model-based, distributed architecture integrates diverse components in a system designed for lunar and planetary surface operations: spacesuit biosensors, cameras, GPS, and a robotic assistant. The system transmits data and assists communication between the extra-vehicular activity (EVA) astronauts, the crew in a local habitat, and a remote mission support team. Software processes ("agents"), implemented in a system called Brahms, run on multiple, mobile platforms, including the spacesuit backpacks, all-terrain vehicles, and robot. These "mobile agents" interpret and transform available data to help people and robotic systems coordinate their actions to make operations more safe and efficient. Different types of agents relate platforms to each other ("proxy agents"), devices to software ("comm agents"), and people to the system ("personal agents"). A state-of-the-art spoken dialogue interface enables people to communicate with their personal agents, supporting a speech-driven navigation and scheduling tool, field observation record, and rover command system. An important aspect of the engineering methodology involves first simulating the entire hardware and software system in Brahms, and then configuring the agents into a runtime system. Design of mobile agent functionality has been based on ethnographic observation of scientists working in Mars analog settings in the High Canadian Arctic on Devon Island and the southeast Utah desert. The Mobile Agents system is developed iteratively in the context of use, with people doing authentic work. This paper provides a brief introduction to the architecture and emphasizes the method of empirical requirements analysis, through which observation, modeling, design, and testing are integrated in simulated EVA operations.

Clancey, William J.↗
NASA NTRS2007

Rover Graphical Simulator

Rover Graphical Simulator (RGS) is a package of software that generates images of the motion of a wheeled robotic exploratory vehicle (rover) across terrain that includes obstacles and regions of varying traversability. The simulated rover moves autonomously, utilizing reasoning and decision-making capabilities of a fuzzy-logic navigation strategy to choose its path from an initial to a final state. RGS provides a graphical user interface for control and monitoring of simulations. The numerically simulated motion is represented as discrete steps with a constant time interval between updates. At each simulation step, a dot is placed at the old rover position and a graphical symbol representing the rover is redrawn at the new, updated position. The effect is to leave a trail of dots depicting the path traversed by the rover, the distances between dots being proportional to the local speed. Obstacles and regions of low traversability are depicted as filled circles, with buffer zones around them indicated by enclosing circles. The simulated robot is equipped with onboard sensors that can detect regional terrain traversability and local obstacles out to specified ranges. RGS won the NASA Group Achievement Award in 2002.

Bon, Bruce↗