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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Atomic Structure and Dynamics of Unusual and Wide-Gap Phase-Change Chalcogenides: A GeTe 2 Case

Brain-inspired computing, reconfigurable optical metamaterials, photonic tensor cores, and many other advanced applications require next-generation phase-change materials (PCMs) with better energy efficiency and a wider thermal and spectral range for reliable operations. Germanium ditelluride (GeTe 2 ), with higher thermal stability and a larger bandgap compared to current benchmark PCMs, appears promising for THz metasurfaces and the controlled crystallization of atomically thin 2D materials. Using high-energy X-Ray diffraction supported by first-principles simulation, the atomic structure in semiconducting pulsed laser deposition films and metallic high-temperature liquids is investigated. The results suggest that the structural and chemical metastability of GeTe 2 , leading to disproportionation into GeTe and Te, is related to high internal pressure during a semiconductor–metal transition, presumably occurring in the supercooled melt. Similar phenomena are expected for canonical GeS 2 and GeSe 2 under high temperatures and pressures.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Distinct dynamical and structural properties of marine stratocumulus and shallow cumulus clouds in the Eastern North Atlantic

Low-level clouds in a marine environment are examined using multiple ground-based instruments. Here, we used Doppler radar and Doppler lidar measurements (1) to examine cloud properties including cloud base and top height and thickness and (2) to investigate vertical velocity (w) statistics throughout the subcloud and in-cloud layers. Marine stratocumulus (Sc) and shallow cumulus (Cu) clouds have distinct properties in their horizontal and vertical extent. We also find that the two cloud types have different thermodynamic (coupled and decoupled conditions) and dynamical characteristics for the first four moments of the w distributions (mean, variance, skewness, and kurtosis). We identify a strong dependence of subcloud mean w on near-surface horizontal wind direction, implying that topographic effects exert a substantial impact on boundary layer dynamics and cloud properties at Graciosa Island. Our findings strongly suggest that care must be taken when interpreting island-based observations as representative of a generic marine dynamical environment. This information also can be useful for guiding and constraining the future global model development using observational dataset.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

Flight-vehicle materials, structures, and dynamics - Assessment and future directions. Vol. 3 - Ceramics and ceramic-matrix composites

The present volume discusses ceramics and ceramic-matrix composites in prospective aerospace systems, monolithic ceramics, transformation-toughened and whisker-reinforced ceramic composites, glass-ceramic matrix composites, reaction-bonded Si3N4 and SiC composites, and chemical vapor-infiltrated composites. Also discussed are the sol-gel-processing of ceramic composites, the fabrication and properties of fiber-reinforced ceramic composites with directed metal oxidation, the fracture behavior of ceramic-matrix composites (CMCs), the fatigue of fiber-reinforced CMCs, creep and rupture of CMCs, structural design methodologies for ceramic-based materials systems, the joining of ceramics and CMCs, and carbon-carbon composites.

Levine, Stanley R.↗
NASA NTRS2003

NETMARK: A Schema-less Extension for Relational Databases for Managing Semi-structured Data Dynamically

Object-Relational database management system is an integrated hybrid cooperative approach to combine the best practices of both the relational model utilizing SQL queries and the object-oriented, semantic paradigm for supporting complex data creation. In this paper, a highly scalable, information on demand database framework, called NETMARK, is introduced. NETMARK takes advantages of the Oracle 8i object-relational database using physical addresses data types for very efficient keyword search of records spanning across both context and content. NETMARK was originally developed in early 2000 as a research and development prototype to solve the vast amounts of unstructured and semi-structured documents existing within NASA enterprises. Today, NETMARK is a flexible, high-throughput open database framework for managing, storing, and searching unstructured or semi-structured arbitrary hierarchal models, such as XML and HTML.

Maluf, David A.↗
DOE OSTI2025

Ultrafast Events in Electrocyclic Ring-Opening Reactions

Electrocyclic reactions are characterized by the concerted formation and cleavage of multiple σ and π bonds in a molecular system and have been extensively studied since they were introduced by Robert Burns Woodward and Roald Hoffmann in 1965. Recent advances and the integration of time-resolved experiments and nonadiabatic quantum molecular dynamics simulations have transformed the traditional understanding of electrocyclic reactions beyond the Woodward–Hoffmann rules. In this review, we focus on recent studies of 1,3-cyclohexadiene and two of its derivatives, α-phellandrene and α-terpinene, to shed light on the underlying mechanisms of electrocyclic photochemical reactions. We highlight recent progress in ultrafast electron diffraction techniques and the simulation approach of ab initio multiple spawning. Together, these approaches can elucidate molecular structure dynamics from femtosecond to picosecond timescales as well as nuclear and electronic responses at conical intersections.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Flight-vehicle materials, structures, and dynamics - Assessment and future directions. Vol. 4 - Tribological materials and NDE

The present volume on tribological materials and NDE discusses liquid lubricants for advanced aircraft engines, a liquid lubricant for space applications, solid lubricants for aeronautics, and thin solid-lubricant films in space. Attention is given to the science and technology of NDE, tools for an NDE engineering base, experimental techniques in ultrasonics for NDE and material characterization, and laser ultrasonics. Topics addressed include thermal methods of NDE and quality control, digital radiography in the aerospace industry, materials characterization by ultrasonic methods, and NDE of ceramics and ceramic composites. Also discussed are smart materials and structures, intelligent processing of materials, implementation of NDE technology on flight structures, and solid-state weld evaluation.

Fusaro, Robert L.↗
DOE OSTI2020

Experimental investigation of internal two-phase flow structures and dynamics of quasi-stable sheet cavitation by fast synchrotron x-ray imaging

The quasi-stable sheet cavitation produced in a small Venturi channel is investigated using a fast synchrotron X-ray imaging technique aided with conventional high speed photography. The use of X-rays instead of visible light solves cavitation opacity related issues, and X-ray phase contrast-based edge enhancement enables high-definition visualization of the internal two-phase morphology. The simultaneous acquisition of time-resolved velocity and void fraction fields through post-processing the recorded X-ray images reveals, for the first time, the complex diphasic flow structures inside the sheet cavity, which is essentially divided into 6 characteristic parts. Distinct from the current mainstream view, the globallysteady sheet cavitation is found to be characterized by a weak but constantly-existing re-entrant flow that can penetrate the entire cavity. The turbulent velocity fluctuations inside the sheet cavity are also investigated. The turbulence level in the reverse flow region is observed to be as low as in the outer main flow demonstrating the relatively steady status of the reentrant flow. Unlike the streamwise and cross-stream fluctuations, the shear stress appears to be weakly correlated with the velocity gradient. The collapse of vapor phase and the vaporization at the upstream cavity interface are found to be the primary causes of shear stress intensification.

42 ENGINEERING↗
DOE OSTI2024

High-fidelity dimer excitations using quantum hardware

The quantum simulation of entangled spin systems can play a central role in quantum magnetic materials discovery. Additionally, the simulation of spectroscopic signatures, such as the dynamical structure factor accessed in inelastic neutron scattering (INS), necessitates a long timescale for circuit evolution. This is because the energy resolution is directly related to the time over which the circuit could be meaningfully evolved. However, canonical Trotterization requires deep circuits precluding such long-time evolution—even for a small number of qubits. Here, in this study, we demonstrate “direct” resource efficient fast-forwarding (REFF) measurements with short-depth circuits that can be used to capture longer time dynamics of spin Hamiltonians. We showcase the results of the dynamics of a quantum spin dimer, the basic quantum unit of emergent many-body spin systems, whose density of states we simulate accurately. The long temporal evolution and measurement of the two-spin correlation functions enable the calculation of the dynamical structure factor S⁡(Q = 0, ω) measured in the neutron scattering cross-section. We exhibit the clarity of the triplet gap and the triplet splitting of the quantum dimer with class-leading fidelity that enables comparison to experimental neutron data. Our results on current circuit hardware outline an important workflow to predict and benchmark against the outputs of INS experiments of quantum magnets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2003

International Space Station Microgravity Analytical Model Correlation And Update

The acceleration environment aboard the completed International Space Station (ISS) is a key resource for scientific and technological endeavors. Hardware verification activIties and early measurements indicate that the ISS is well on the way of meeting these "Assembly Complete" "microgravity" provisions, however, the simulation models that compute these accelerations have, to date, lacked the high degree of empirical validation typical of standard aerospace industry practices. Assembly stage, on-orbit measurements are used to address this shortcoming and to develop higher confidence in the simulation models. The Phase I correlation results show the analyses to be consistently conservative, producing higher than measured levels. The 25 to 30% greater quasi-steady computations are deemed acceptable for verification. Updates are made to localized structural dynamic and vibroacoustic parameters that reduce responses in selected one-third octave bands by almost 50%. These models are then used for the Assembly Complete verification analysis which concludes that the ISS vehicle meets the ISS microgravity requirements with minor reservations. Two of the sixteen rack are marginally non-compliant in the quasi-steady regime, and operational constraints are needed on the U. S. Lab and ESA APM vacuum resource vents, and the Russian Resistive Exercise Device in the structural dynamic regime.

DelBasso, Steve↗
DOE OSTI2023

Structure and dynamics of ILs-based gel polymer electrolytes and its enhanced conductive properties with the incorporation of Al 2 O 3 nanofibers

Here, this work reports the enhanced mobility of ions in ionic liquid (IL)-based gel polymer electrolytes (GPEs) with the incorporation of Al 2 O 3 nanofibers. A combination of PVDF-HFP, EMIMTFSI and LiTFSI with 3 wt% Al 2 O 3 nanofibers has been prepared through solution casting technique. The room temperature ionic conductivity of PVDF-HFP: ILs electrolyte (45:55, weight ratio of 0.82) (GPE) is found to be 2.7 × 10 –5 S cm –1 , which increases up to 7.8 × 10 –5 S cm –1 in Al 2 O 3 containing GPE (Al-GPE). Pulsed field gradient (PFG) NMR results validate the increased ionic conductivity observed in Al-GPE. We found that the diffusivity of Li + , TFSI – and EMIM + increases when Al 2 O 3 nanofibers are well-distributed in the GPE matrix. The surface morphology and the amorphicity of GPEs are examined through SEM and XRD analyses. Lastly, the local structure of Al 2 O 3 fibers and the molecular-level interactions of ions with polymer, and their effect on the diffusivity of ions are established through solid-state NMR detecting 27 Al, 1 H, 13 C, 19 F nuclei including 2D 13 C{ 1 H} HETCOR NMR experiments. The 13 C DPMAS and CPMAS experiments highlight the dynamic heterogeneity associated with the ions that are embedded in the rigid and the mobile phase of GPEs. While some of the ionic species strongly interact with polymer chains in the rigid environment, the majority of them reside in the mobile phase and contribute to the overall increased conductivity. Most importantly, Al 2 O 3 nanofibers significantly affect the dynamics of ionic species that are present in the mobile phase between the polymer chains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1967

The dynamics of solid propellant rocket motors.

Solid rocket engine propellant grain structural dynamics including elastic and viscoelastic deformations, stress and shear vibration modes, natural frequency calculations, etc, using Fourier inversions and transforms

VISCOELASTICITY↗
NASA NTRS1972

Computer experiments on the structure and dynamics of spiral galaxies

The evolution of an initially balanced rotating disk of stars with an initial velocity dispersion given by Toomre's local criterion was investigated by means of a computer model for isolated disks of stars. It was found that the disk is unstable against very large scale modes. A stable axisymmetric disk with a velocity dispersion much larger than that given by Toomre's criterion was generated. The final mass distribution for the disk gives a high density central core and a disk population of stars that is closely approximated by an exponential variation. Various methods and rates of cooling the hot axisymmetric disks were investigated. It was found that the cooling resulted in the development of two-arm spiral structures which persisted as long as cooling continued. An experiment was performed to induce spiral structure in a galaxy by means of the close passage of a companion galaxy. Parameters similar to those expected for M51 and its companion were used. It was found that because of the high velocity dispersion of the disturbed disk galaxy, only a weak two-arm spiral structure appeared. The evolution of a uniformly rotating disk galaxy which is a stationary solution of the collisionless Boltzmann equation was investigated for various values of the initial rms velocity dispersion. It was found that the disk becomes stable at a value of the velocity dispersion predicted by theory.

Hohl, F.↗
NASA NTRS1992

Femtosecond resolution of soft mode dynamics in structural phase transitions

The microscopic pathway along which ions or molecules in a crystal move during structural phase transition can often be described in terms of a collective vibrational mode of the lattice. In many cases, this mode, called a 'soft' phonon mode because of its characteristically low frequency near the phase transition temperature, is difficult to characterize through conventional frequency-domain spectroscopies such as light or neutron scattering. A femtosecond time-domain analog of light-scattering spectroscopy called impulsive stimulated Raman scattering (ISRS) has been used to examine the soft modes of two perovskite ferroelectric crystals. The low-frequency lattice dynamics of KNbO3 and BaTiO3 are clarified in a manner that permits critical evaluation of microscopic models for their ferroelectric transitions. The results illustrate the advantages of ISRS over conventional Raman spectroscopy of low-frequency, heavily damped soft modes.

Dougherty, Thomas P.↗
NASA NTRS2008

Initial Assessment of the Ares I-X Launch Vehicle Upper Stage to Vibroacoustic Flight Environments

The Ares I launch vehicle will be NASA s first new launch vehicle since 1981. Currently in design, it will replace the Space Shuttle in taking astronauts to the International Space Station, and will eventually play a major role in humankind s return to the Moon and eventually to Mars. Prior to any manned flight of this vehicle, unmanned test readiness flights will be flown. The first of these readiness flights, named Ares I-X, is scheduled to be launched in April 2009. The NASA Glenn Research Center is responsible for the design, manufacture, test and analysis of the Ares I-X upper stage simulator (USS) element. As part of the design effort, the structural dynamic response of the Ares I-X launch vehicle to its vibroacoustic flight environments must be analyzed. The launch vehicle will be exposed to extremely high acoustic pressures during its lift-off and aerodynamic stages of flight. This in turn will cause high levels of random vibration on the vehicle's outer surface that will be transmitted to its interior. Critical flight equipment, such as its avionics and flight guidance components are susceptible to damage from this excitation. This study addresses the modelling, analysis and predictions from examining the structural dynamic response of the Ares I-X upper stage to its vibroacoustic excitations. A statistical energy analysis (SEA) model was used to predict the high frequency response of the vehicle at locations of interest. Key to this study was the definition of the excitation fields corresponding to lift off acoustics and the unsteady aerodynamic pressure fluctuations during flight. The predicted results will be used by the Ares I-X Project to verify the flight qualification status of the Ares I-X upper stage components.

Larko, Jeffrey M.↗
NASA NTRS2000

Propulsion Aeroelastic Analysis Developed for Flutter and Forced Response

The NASA Glenn Research Center at Lewis Field develops new technologies to increase the fuel efficiency of aircraft engines, improve the safety of engine operation, reduce emissions, and reduce engine noise. With the development of new designs for fans, compressors, and turbines to achieve these goals, the basic aeroelastic requirements are that there should be no flutter (self-excited vibrations) or high resonant blade stresses (due to forced response) in the operating regime. Therefore, an accurate prediction and analysis capability is required to verify the aeroelastic soundness of the designs. Such a three-dimensional viscous propulsion aeroelastic analysis capability has been developed at Glenn with support from the Advanced Subsonic Technology (AST) program. This newly developed aeroelastic analysis capability is based on TURBO, a threedimensional unsteady aerodynamic Reynolds-averaged Navier-Stokes turbomachinery code developed previously under a grant from Glenn. TURBO can model the viscous flow effects that play an important role in certain aeroelastic problems such as flutter with flow separation, flutter at high loading conditions near the stall line (stall flutter), flutter in the presence of shock and boundary-layer interaction, and forced response due to wakes and shock impingement. In aeroelastic analysis, the structural dynamics representation of the blades is based on normal modes. A finite-element analysis code is used to calculate these in-vacuum vibration modes and the associated natural frequencies. In an aeroelastic analysis using the TURBO code, flutter and forced response are modeled as being uncoupled. To calculate if a blade row will flutter, one prescribes the motion of the blade to be a harmonic vibration in a specified in-vacuum normal mode. An aeroelastic analysis preprocessor is used to generate the displacement field required for the analysis. The work done by aerodynamic forces on the vibrating blade during a cycle of vibration is calculated. If this work is positive, the blade is dynamically unstable, since it will extract energy from the flow, leading to an increase in the blade s oscillation amplitude. The forced-response excitations on a blade row are calculated by modeling the flow through two adjacent blade rows using the TURBO code. The blades are assumed to be rigid. As an option, a single blade row can be modeled with the upstream blade row influence represented by a time-varying disturbance (gust) at the inlet boundary. The unsteady forces on a blade row from such analyses are used in a structural analysis along with the blade structural dynamics characteristics and aerodynamic damping associated with blade vibration to calculate the resulting dynamic stresses on the blade.

Bakhle, Milind A.↗
DOE OSTI2023

Elucidating the water–anatase TiO 2 (101) interface structure using infrared signatures and molecular dynamics

The structure and dynamics of water on solid surfaces critically affect the chemistry of materials in ambient and aqueous environments. Here, we investigate the hydrogen bonding network of water adsorbed on the majority (101) surface of anatase TiO 2 , a widely used photocatalyst, using polarization- and azimuth-resolved infrared spectroscopy combined with neural network potential molecular dynamics simulations. Our results show that one monolayer of water saturates the undercoordinated titanium (Ti 5c ) sites, forming one-dimensional chains of molecule hydrogen bonded to surface undercoordinated bridging oxygen (O 2c ) atoms. As the coverage increases, water adsorption on O 2c sites leads to significant restructuring of the water monolayer and the formation of a two-dimensional hydrogen bond network characterized by tightly bound pairs of water molecules on adjacent Ti 5c and O 2c sites. This structural motif likely persists at ambient conditions, influencing the reactions occurring there. In conclusion, the results reported here provide critical details of the structure of the water–anatase (101) interface that were previously hypothesized but unconfirmed experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗