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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Hot plasma and energetic particles in Neptune's magnetosphere

Voyager 2's low energy charged particle instrument employed an array of solid-state detectors in various configurations to measure energetic electrons and ions within the Neptune magnetosphere in several energy channels. Various features of the intensity, spectral, and anisotropic data obtained suggest that the Triton satellite exerts an important controlling influence over the outer regions of the Neptunian magnetosphere. Composition measurements have indicated the presence of H, H2, and He-4 at 1300:1:0.1 relative abundances, respectively, suggesting a Neptunian ionospheric source for the trapped particle population.

Krimigis, S. M.↗
NASA NTRS1993

Theoretical study of the lowest 5Pi and 5Sigma(+) states of CO

Large one-particle basis sets and the internally contracted multireference configuration-interaction treatment of electron correlation were used to characterize the lowest 5Pi and 5Sigma(+) states of CO. It was found that the (1)5Sigma(+) state is weakly bound with an r(e) of 4.76 a(0), supporting results of calculations by Rosenkrantz et al. (1992). The (1)5Pi state has a weakly bound outer well and a significantly bound inner well.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1994

Theoretical Study of the Low-Lying States of TiHe(+),TiNe(+),TiAr(+),VAr(+),CrHe(+),CrAr(+),FeHe(+),FeAr(+),CoHe(+),and CoAr(+)

The potential energy curves for the manifold of molecular states dissociating to the lowest transition metal ion states derived from the 3d(sup n+1) and 3d(sup n)4s(sup 1) occupations have been determined for selected transition-metal ion- rare gas systems. These curves have been computed using large basis sets, and the state-averaged complete- active-space self-consistent-field/multireference configuration interaction level of electron correlation treatment. In general, the families of curves derived from the 3d(sup n+1) and 3d(sup n)4s(sup 1) metal occupations are disjoint; however, for Ti(+) there is a strong mixing of the 3d(sup 2)4s(sup 1) and 3d(sup 3) asymptotes, because of the small separation between the asymptotes. This mixing leads to a failure of single-reference-based techniques; this is discussed in the context of our previous single-reference-based treatments.

Partridge, Harry↗
NASA NTRS1994

Electron Correlation in 4-Component Relativistic Calculations

The full 4-component Dirac-Coulomb equation can nowadays be used in molecular calculations, The first step in solving this relativistic many-electron equation usually consists of solving the closed or open-shell Diarc-Fock equations. Like in non-relativistic calculations the outcome does not account for the effects of electron correlation. This can in principle be remedied by developing relativistic variants of electron correlation methods like Configuration Interaction or Coupled Cluster. In this talk the differences and similarities of such relativistic approaches as compared to non-relativistic methods will be reviewed. Results of Configuration Interaction calculations on the PtH molecule and on the MeF(sub 6, sup 2-) (Me= Co, Rh, Ir) complexes will be presented to give an impression of the kind of results that currently can be obtained.

Visscher, Luuk↗
NASA NTRS1995

Helmet-Mounted Display Research Capabilities of the NASA/Army Rotorcraft Aircrew Systems Concepts Airborne Laboratory (RASCAL)

The Rotorcraft Aircrew Systems Concepts Airborne Laboratory (RASCAL) is a UH-60A Black Hawk helicopter that is being modified by the US Army and NASA for flight systems research. The principal systems that are being installed in the aircraft are a Helmet Mounted Display (HMD) and imaging system, and a programmable full authority Research Flight Control System (RFCS). In addition, comprehensive instrumentation of both the rigid body of the helicopter and the rotor system is provided. The paper will describe the capabilities of these systems and their current state of development. A brief description of initial research applications is included. The wide (40 X 60 degree) field-of-view HMD system has been provided by Kaiser Electronics. It can be configured as a monochromatic system for use in bright daylight conditions, a two color system for darker ambients, or a full color system for use in night viewing conditions. Color imagery is achieved using field sequential video and a mechanical color wheel. In addition to the color symbology, high resolution computer-gene rated imagery from an onboard Silicon Graphics Reality Engine Onyx processor is available for research in virtual reality applications. This synthetic imagery can also be merged with real world video from a variety of imaging systems that can be installed easily on the front of the helicopter. These sensors include infrared or tv cameras, or potentially small millimeter wave radars. The Research Flight Control System is being developed for the aircraft by a team of contractors led by Boeing Helicopters. It consists of a full authority high bandwidth fly-by-wire actuators that drive the main rotor swashplate actuators and the tail rotor actuator in parallel. This arrangement allows the basic mechanical flight control system of the Black Hawk to be retained so that the safety pilot can monitor the operation of the system through the action of his own controls. The evaluation pilot will signal the fly-by-wire actuators through the flight computer from electrical sidearm controllers located in the right hand cockpit. The system will have very substantial input/output capacity and impressive computational power. These systems are installed in the aircraft using predominantly a MIL-STD 1553B data bus architecture. Sensor data from the RFCS, the basic aircraft and rotor system instrumentation including navigation information, and the HMD system are easily exchanged among user systems, or are available at the systems operator station located in the cabin for real time monitoring or data recording.

Jacobsen, R. A.↗
NASA NTRS2004

Power Conversion with a Stirling Cycle for Venus Surface Mission

The light-filtering characteristic of the dense, mostly-CO2 atmosphere of Venus, combined with the high atmospheric cloud cover, relegates the surface mission use of photovoltaic power systems and beckons for the independence and reliability of a nuclear-powered energy source. A multi-faceted Venus mission study was completed at NASA GRC in December of 2003 that resulted in the preliminary design of a helium- charged, kinematic Stirling converter, which is powered by nuclear, General Purpose Heat Source (GPHS) modules. The kinematic, Stirling power converter is configured to drive an electronics and sensor cooler in addition to a generator for electrical power. This paper briefly describes the design process and also describes and summarizes key features of the Stirling power converter preliminary design concept. With an estimated total efficiency of 23.4%, the power converter drives the electronics and sensor cooler, and also produces 100 watts of electricity. The converter rejects waste heat at a hot sink temperature of 500 C.

Mellott, Ken↗
NASA NTRS2009

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗
NASA NTRS2010

Integrated System Health Management: Pilot Operational Implementation in a Rocket Engine Test Stand

This paper describes a credible implementation of integrated system health management (ISHM) capability, as a pilot operational system. Important core elements that make possible fielding and evolution of ISHM capability have been validated in a rocket engine test stand, encompassing all phases of operation: stand-by, pre-test, test, and post-test. The core elements include an architecture (hardware/software) for ISHM, gateways for streaming real-time data from the data acquisition system into the ISHM system, automated configuration management employing transducer electronic data sheets (TEDS?s) adhering to the IEEE 1451.4 Standard for Smart Sensors and Actuators, broadcasting and capture of sensor measurements and health information adhering to the IEEE 1451.1 Standard for Smart Sensors and Actuators, user interfaces for management of redlines/bluelines, and establishment of a health assessment database system (HADS) and browser for extensive post-test analysis. The ISHM system was installed in the Test Control Room, where test operators were exposed to the capability. All functionalities of the pilot implementation were validated during testing and in post-test data streaming through the ISHM system. The implementation enabled significant improvements in awareness about the status of the test stand, and events and their causes/consequences. The architecture and software elements embody a systems engineering, knowledge-based approach; in conjunction with object-oriented environments. These qualities are permitting systematic augmentation of the capability and scaling to encompass other subsystems.

Figueroa, Fernando↗
NASA NTRSDate not supplied

Characterization of Structural Vibration and Acoustic Radiation with a Beam-Array Doppler Vibrometer

This paper discusses the operational principles of an assembly of two opto-electronic modules with their configurations based on a Laser-Array Doppler Vibrometer (LADV) and a Shack-Hartmann Wavefront Sensor (SHWFS). Both sensors can operate concurrently providing complementary data. While the SHWFS is a well-established system that enables low-bandwidth spatio-temporal characterization of aerodynamic turbulence, the LADV technology allows real-time detection of structural vibrations and associated acoustic radiation fields. Practical examples are shown of the instruments’ capabilities, focusing on the ability to simultaneously capture, visualize and quantitatively characterize full-field non-stationary structural dynamics and unsteady sound fields or transient flow fields around ground test facility airframe models or other structures of interest. The parallel multi-channel architecture of the LADV system enables synchronous detection and temporal correlation of indicators related to the spatio-temporal vibration of the structure under inspection. This unique feature is essential for real time detection and categorization of the structural and acoustic dynamics of transient events. For the present study, the LADV data have been successfully compared with measurements obtained with the SHWFS in the wake of a subsonic scale-model airfoil. The ability of the LADV-SHWFS coupled measurements to perform real time non-intrusive evaluation and characterization of dynamic processes at operationally relevant bandwidths should provide a deeper insight into the complex structural dynamics that contribute to radiated sound fields.

Vladimir B Markov↗
NASA NTRS2020

Neural Network Repair of Lossy Compression Artifacts in the Sept 2015 – March 2016 Duration of the MMS/FPI Dataset

During the Sept 2015 –March 2016 duration (sometimes referred to as Phase 1A) of the Magnetospheric Multiscale Mission (MMS), the Dual Electron Spectrometers (DES) were configured to generously utilize lossy compression. While this maximized the number of velocity distribution functions downlinked, it cameat the expense of lost information content for a fractionof the frames. Following this period of lossy compression, the DES was re-configured in a way that allowed for 95% of the framesto arrive to the ground without loss. Using this high-quality set offrameson-orbit observations, we compressed and decompressed the frameson the ground to create a side-by-side record of the compression effect. This record was used to drive an optimization method that (a) derived basis functions capable of approximating the lossless sample space and with non-negative coefficients and (b) fitted a function which maps the lossy framesto basis weights that recreate the framewithout compression artifacts. This methodis introduced and evaluated in this paper.Data users should expect a higher level of confidence in the absolute scale of density/temperature measurements andnotice less sinusoidal bias in the velocity X and Y components(GSE).

Magnetosphere, Neural Networks, Image Processing, ↗
DOE OSTI2021

Ultraviolet (UV) light emitting device (LED) driven photocathode

An apparatus includes an electromechanical x-ray generator (MEXRAY) configured to charged capacitors using a small, high-voltage direct current. The apparatus also includes an ultraviolet (UV) light emitting diode (LED) driven photocathode device configured to control/modulate an electron dose rate of the MEXRAY or other vacuum DC, source.

Watson, Scott Avery↗
DOE OSTI2023

Tailoring light-induced charge transfer and intersystem crossing in FeCO using time-dependent spin–orbit configuration interaction

Real-time (RT) electronic structure methods provide a natural framework for describing light–matter interactions in arbitrary time-dependent electromagnetic fields (EMF). Optically induced excited state transitions are of particular interest, which require tuned EMF to drive population transfer to and from the specific state(s) of interest. Intersystem crossing, or spin-flip, may be driven through shaped EMF or laser pulses. These transitions can result in long-lived “spin-trapped” excited states, which are especially useful for materials requiring charge separation or protracted excited state lifetimes. Time-dependent configuration interaction (TDCI) is unique among RT methods in that it may be implemented in a basis of eigenstates, allowing for rapid propagation of the time-dependent Schrödinger equation. The recent spin–orbit TDCI (TD-SOCI) enables a real-time description of spin-flip dynamics in an arbitrary EMF and, therefore, provides an ideal framework for rational pulse design. The present study explores the mechanism of multiple spin-flip pathways for a model transition metal complex, FeCO, using shaped pulses designed to drive controlled intersystem crossing and charge transfer. These results show that extremely tunable excited state dynamics can be achieved by considering the dipole transition matrix elements between the states of interest.

Chemistry↗
DOE OSTI2022

Measuring recoiling nucleons from the nucleus with the future Electron Ion Collider

Short range correlated nucleon-nucleon (NN) pairs are an important part of the nuclear ground state. They are typically studied by scattering an electron from one nucleon in the pair and detecting its spectator correlated partner (spectator-nucleon tagging). The Electron Ion Collider (EIC)should be able to detect these nucleons, since they are boosted to high momentum in the lab frame by the momentum of the ion beam. To determine the feasibility of these studies with the planned EIC detector configuration, we have simulated quasi-elastic scattering for two electron and ion beam energy configurations: 5 GeV electrons and 41 GeV/A ions, and 10 GeV electrons and 110 GeV/A ions. We show that the knocked-out and recoiling nucleons can be detected over a wide range of initial nucleon momenta. We also show that these measurements can achieve much larger momentum transfers than current fixed target experiments. By detecting both low and high initial-momentum nucleons,the EIC will provide the data that should allow scientists to definitively show if the EMC effect and short-range correlation are connected, and to improve our understanding of color transparency

Hauenstein, F. (ORCID:0000000212652212)↗
DOE OSTI2024

Time propagation of electronic wavefunctions using nonorthogonal determinant expansions

The use of truncated configuration interaction in real-time time-dependent simulations of electron dynamics provides a balance of computational cost and accuracy, while avoiding some of the failures associated with real-time time-dependent density functional theory. However, low-order truncated configuration interaction also has limitations, such as overestimation of polarizability in configuration interaction singles, even when perturbative doubles are included. Increasing the size of the determinant expansion may not be computationally feasible, and so, in this work, we investigate the use of nonorthogonality in the determinant expansion to establish the extent to which higher-order substitutions can be recovered, providing an improved description of electron dynamics. Model systems are investigated to quantify the extent to which different methods accurately reproduce the (hyper)polarizability, including the high-harmonic generation spectrum of H 2 , water, and butadiene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

A controllability-stabilizability result for the NASA-IEEE Spacecraft Control Laboratory Experiment (SCOLE) configuration

A nonlinear distributed parameter model for the NASA-Institute of Electrical and Electronics Engineers' Spacecraft Control Laboratory Experiment (SCOLE) configuration is considered. A linear feedback control law is proposed that points the line of sight of the antenna to any given target direction and at the same time stabilizes the oscillations of the entire flexible configuration.

Araya, Roberto↗
DOE OSTI2024

High-entropy engineering of the crystal and electronic structures in a Dirac material

Dirac and Weyl semimetals are a central topic of contemporary condensed matter physics, and the discovery of new compounds with Dirac/Weyl electronic states is crucial to the advancement of topological materials and quantum technologies. Here we show a widely applicable strategy that uses high configuration entropy to engineer relativistic electronic states. We take the A MnSb 2 ( A = Ba, Sr, Ca, Eu, and Yb) Dirac material family as an example and demonstrate that mixing of Ba, Sr, Ca, Eu and Yb at the A site generates the compound (Ba 0.38 Sr 0.14 Ca 0.16 Eu 0.16 Yb 0.16 )MnSb 2 (denoted as A 5 MnSb 2 ), giving access to a polar structure with a space group that is not present in any of the parent compounds. A 5 MnSb 2 is an entropy-stabilized phase that preserves its linear band dispersion despite considerable lattice disorder. Although both A 5 MnSb 2 and A MnSb 2 have quasi-two-dimensional crystal structures, the two-dimensional Dirac states in the pristine A MnSb 2 evolve into a highly anisotropic quasi-three-dimensional Dirac state triggered by local structure distortions in the high-entropy phase, which is revealed by Shubnikov–de Haas oscillations measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Antiferromagnetic ordering and possible lattice response to dynamic uranium valence in U 3 O 8

Determining the correct electronic structure of U 3 O 8 remains a formidable experimental and theoretical challenge. In the low-temperature phase, two crystallographic U sites are separated into a distinct 2U(V)+1U(VI) oxidation configuration. At low temperatures, the U(V) sites form a distorted honeycomb lattice, but the U(VI) sit on a triangular sublattice, suggesting potential for magnetic frustration effects. The spin configuration of the unpaired f electrons on the U(V) sites is likely antiferromagnetic (AFM) from susceptibility measurements, but this has not been confirmed. Here in this paper, we present a neutron scattering investigation of the structure and dynamics of U 3 O 8 from 1.7 to 600 K. We confirm static AFM ordering onset at between 22 and 25 K, which is present down to at least 1.7 K with AFM peaks corresponding to [0.5 1 1] and [0.5 2 2] in the orthorhombic phase. These measurements rule out static AFM order along the a axis of the Amm2 phase, a configuration previously suggested by theory. Above 100 K a quasielastic scattering channel opens that we speculate arises from a lattice relaxation response to thermally activated electron hopping. This term does not conform to a magnetic form factor, so it is not related to spin relaxations. If correct, this mechanism stabilizes a continuous valence transition from 2U(V)+1U(VI) in the low-temperature (T<600 K) orthorhombic phase to the hexagonal phase that contains only one degenerate U site, wherein the U valence can be dynamically stabilized between U(V)↔U(VI) by phonon-assisted electron hopping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗