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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Liquid-State Dewetting of Pulsed-Laser-Heated Nanoscale Metal Films and Other Geometries

Metal films of nanoscale thickness, deposited on substrates and exposed to laser heating, provide systems that involve several interesting multiphysics effects. In addition to fluid mechanical aspects associated with a free boundary setup, other relevant physical effects include phase change, thermal flow, and liquid–solid interactions. Such films are challenging to model, in particular because inertial effects may be relevant, and large contact angles require care when considering the long-wave formulation. Applications of nanoscale metal films are numerous, and the materials science community is actively pursuing more complex setups involving templated films and substrates, bimetallic films and alloys, and a variety of elemental film geometries. The goal of this review is to discuss our current understanding of thin metal film systems, while also providing an overview of the challenges in this research area, which stands at the intersection of fluid mechanics, materials science, and thermal physics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Improved Predictive Tools for Structural Properties of Metal–Organic Frameworks

The accurate determination of structural parameters is necessary to understand the electronic and magnetic properties of metal–organic frameworks (MOFs) and is a first step toward accurate calculations of electronic structure and function for separations and catalysis. Theoretical structural determination of metal-organic frameworks is particularly challenging because they involve ionic, covalent, and noncovalent interactions, which must be treated in a balanced fashion. Here, we apply a diverse group of local exchange-correlation functionals (PBE, PBEsol, PBE-D2, PBE-D3, vdW-DF2, SOGGA, MN15-L, revM06-L, SCAN, and revTPSS) to a broad test set of MOFs to seek the most accurate functionals to study various structural aspects of porous solids, in particular to study lattice constants, unit cell volume, two types of pore size characteristics, bond lengths, bond angles, and torsional angles). The recently developed meta functionals revM06-L and SCAN, without adding any molecular mechanics terms, are able to predict more accurate structures than previously recommended functionals, both those without molecular mechanics terms (PBE, PBEsol, vdW-DF2, and revTPSS) and those with them (PBE-D2 and PBE-D3). To provide a broader test, these two functionals are also tested for lattice constants and band gaps of unary, binary, and ternary semiconductors.

36 MATERIALS SCIENCE↗
NASA NTRS1979

A rocket-borne data-manipulation experiment using a microprocessor

The development of a data-manipulation experiment using a Z-80 microprocessor is described. The instrumentation is included in the payloads of two Nike Apache sounding rockets used in an investigation of energetic particle fluxes. The data from an array of solid-state detectors and an electrostatic analyzer is processed to give the energy spectrum as a function of pitch angle. The experiment performed well in its first flight test: Nike Apache 14.543 was launched from Wallops Island at 2315 EST on 19 June 1978. The system was designed to be easily adaptable to other data-manipulation requirements and some suggestions for further development are included.

Davis, L. L.↗
NASA NTRS1983

An experimental investigation of the subcritical and supercritical flow about a swept semispan wing

An experimental investigation of the turbulent, subcritical and supercritical flow over a swept, semispan wing in a solid wall wind tunnel is described. The program was conducted over a range of Mach numbers, Reynolds numbers, and angles of attack to provide a variety of test cases for assessment of wing computer codes and tunnel wall interference effects. Wing flows both without and with three dimensional flow separation are included. Data include mean surface pressures for both the wing and tunnel walls; surface oil flow patterns on the wing; and mean velocity, flow field surveys. The results are given in tabular form and presented graphically to illustrate some of the effects of the test parameters. Comparisons of the wing pressure data with the results from two inviscid wing codes are also shown to assess the importance of viscous flow and tunnel wall effects.

Lockman, W. K.↗
NASA NTRS1991

Procedures for Including Secondary Electron Emission in Numerical Simulations of Plasma-Insulator Interactions

Previous Monte Carlo simulations provide a data base for properties of secondary electron emission (SEE) from insulators and metals. Incident primary electrons are considered at energies up to 1200 eV. The behavior of secondary electrons is characterized by (1) yield vs. primary energy E(sub p), (2) distribution vs. secondary energy E(sub s), and (3) distribution vs. angle of emission theta. Special attention is paid to the low energy range E(sub p) up to 50 eV, where the number and energy of secondary electrons is limited by the finite band gap of the insulator. For primary energies above 50 eV the SEE yield curve can be conveniently parameterized by a Haffner formula. The energy distribution of secondary electrons is described by an empirical formula with average energy about 8.0 eV. The angular distribution of secondaries is slightly more peaked in the forward direction than the customary cos theta distribution. Empirical formulas and parameters are given for all yield and distribution curves. Procedures and algorithms are described for using these results to find the SEE yield, and then to choose the energy and angle of emergence of each secondary electron. These procedures can readily be incorporated into numerical simulations of plasma-solid surface interactions in low earth orbit.

Beyst, Brian↗
NASA NTRS2003

NASA Tech Briefs, June 2003

Topics covered include: Nulling Infrared Radiometer for Measuring Temperature; The Ames Power Monitoring System; Hot Films on Ceramic Substrates for Measuring Skin Friction; Probe Without Moving Parts Measures Flow Angle; Detecting Conductive Liquid Leaking from Nonconductive Pipe; Adaptive Suppression of Noise in Voice Communications; High-Performance Solid-State W-Band Power Amplifiers; Microbatteries for Combinatorial Studies of Conventional Lithium-Ion Batteries; Correcting for Beam Aberrations in a Beam-Waveguide Antenna; Advanced Rainbow Solar Photovoltaic Arrays; Metal Side Reflectors for Trapping Light in QWIPs; Software for Collaborative Engineering of Launch Rockets; Software Assists in Extensive Environmental Auditing; Software Supports Distributed Operations via the Internet; Software Estimates Costs of Testing Rocket Engines; yourSky: Custom Sky-Image Mosaics via the Internet; Software for Managing Inventory of Flight Hardware; Lower-Conductivity Thermal-Barrier Coatings; Process for Smoothing an Si Substrate after Etching of SiO2; Flexible Composite-Material Pressure Vessel; Treatment to Destroy Chlorohydrocarbon Liquids in the Ground; Noncircular Cross Sections Could Enhance Mixing in Sprays; Small, Untethered, Mobile Roots for Inspecting Gas Pipes; Paint-Overspray Catcher; Preparation of Regular Specimens for Atom Probes; Inverse Tomo-Lithography for Making Microscopic 3D Parts; Predicting and Preventing Incipient Flameout in Combustors; MEMS-Based Piezoelectric/Electrostatic Inchworm Actuator; Metallized Capillaries as Probes for Raman Spectroscopy; Adaptation of Mesoscale Weather Models to Local Forecasting; Aerodynamic Design using Neural Networks; Combining Multiple Gyroscope Outputs for Increased Accuracy; and Improved Collision-Detection Method for Robotic Manipulator.

Source record↗
NASA NTRS2014

Coupled CFD-Thermal Analysis of Erosion Patterns Resulting from Nozzle Wedgeouts on the SRTMV-N2

The objective of this analysis was to study the effects of the erosion patterns from the introduction of nozzle flaws machined into the nozzle of the SRTMV-N2 (Solid Rocket Test Motor V Nozzle 2). The SRTMV-N2 motor was a single segment static subscale solid rocket motor used to further develop the RSRMV (Redesigned Solid Rocket Motor V Segment). Two flaws or "wedgeouts" were placed in the nozzle inlet parallel to the ply angles of that section to study erosion effects. One wedgeout was placed in the nose cap region and the other placed in the inlet ring on the opposite side of the bondline, separated 180 degrees circumferentially. A coupled CFD (Computational Fluid Analysis)-thermal iterative analytical approach was utilized at the wedgeouts to analyze the erosion profile during the burn time. The iterative CFD thermal approach was applied at five second intervals throughout the motor burn. The coupled fluid thermal boundary conditions were derived from a steady state CFD solution at the beginning of the interval. The derived heat fluxes were then applied along the surface and a transient thermal solution was developed to characterize the material response over the specified interval. Eroded profiles of each of the nozzle's wedgeouts and the original contour were created at each of the specified intervals. The final iteration of the erosion profile showed that both wedgeouts were "washedout," indicating that the erosion profile of the wedgeout had rejoined the original eroded contour, leaving no trace of the wedgeouts post fire. This analytical assessment agreed with post-fire observations made of the SRTMV-N2 wedgeouts, which noted a smooth eroded contour.

Ables, Catherine↗
DOE OSTI2021

Combining Spectroscopic Ellipsometry with Transmission Spectroscopy to Derive Accurate Optical Constants for Organic Materials

A method for deriving the optical constants of organic powdered materials in the mid-infrared spectral range is introduced using variable angle spectroscopic ellipsometry and transmission spectroscopy. The approach uses pressed pellets of the powder and is applied to organic solids, which have both strong and weak infrared absorption features. Many powders have significant voids and do not press into smooth, homogenous pellets. To account for pellet non-idealities and to accurately measure both n and k, three different forms of pellets were pressed and measured: A pure analyte pellet, a mixed analyte/KBr pellet with a large analyte percentage, and a KBr transmission pellet with only a small analyte percentage. Using all three pellets in a multi-sample analysis involving both ellipsometric and transmission data, the complex refractive index (n/k) values can be derived for many organic compounds. This method is illustrated to calculate the optical constants for anhydrous lactose from 6000-400 cm-1. The transmission measurements improve the spectral fitting of weak absorption features, and the multi-sample analysis enables a better determination of the significant void space that is present in the pure pellet, leading to lower values for both n and k if not properly accounted for in the multi-oscillator model used to fit the ellipsometric data.

Optical constants, refractive index, extinction co↗
NASA NTRS1979

Effect of steady-state pressure distortion on flow characteristics entering a turbofan engine

Flow angle, static-pressure, and total-pressure distributions were measured in the passage ahead of a turbofan engine operating with inlet pressure distortion. Distortions were generated with five screen configurations and one solid plate configuration. The screens and solid plate were circumferential and mounted on a rotatable assembly. Reynolds Number Index upstream of the distortion device was maintained at 0.5, 0.35, or 0.2, and engine corrected low-rotor speeds were held at 6000 rpm and 8600 rpm. Near the engine inlet, flow angle was largest at the hub and increased as flow approached the engine. The magnitude of static-pressure distortion measured along the inlet-duct and extended bullet nose walls increased exponentially as the flow approached the engine. Wall static-pressure distortion was also a function of distortion harmonic.

Soeder, R. H.↗
DOE OSTI2024

Cellulose crystallinity index (CrI) of switchgrass measured by solid-state NMR

Here we present a curated dataset of switchgrass cellulose crystallinity index (CrI) measured using solid state nuclear magnetic resonance (NMR) spectroscopy. Seventy-two topline switchgrass lines grown in greenhouse were collected and ground to -20/+80 mesh. The switchgrass was then Soxhlet-extracted with toluene/ethanol for 24 h to remove extractives. The extractives-free switchgrass was holopulped by using peracetic acid at 5 g loading per g biomass and the solution consistency was adjusted to 5% with DI water. Holopulping was conducted at room temperature for 24 h with stirring. The obtained holocellulose was washed excessively with DI water and air-dried at room temperature for 24 h. The dried holocellulose was treated with hydrochloric acid (2.5 M) for 2 h to remove hemicellulose. The isolated cellulose was collected by filtration, rinsed with DI water, and used to analyze cellulose crystallinity by solid-state NMR. The NMR samples were prepared by packing the moisturized cellulose into 4-mm cylindrical Zirconia MAS rotors. Cross polarization/magic angle spinning (CP/MAS) NMR analysis of cellulose was carried out on a Bruker Avance III 400-MHz spectrometer operating at 100.59 MHz for 13C in a Bruker double-resonance MAS probe head at spinning speeds of 8 kHz. The CP/MAS experiments utilized a 5 ms (90°) proton pulse, 1.5 ms contact pulse, 4 s recycle delay and 4000 scans. The cellulose crystallinity index was determined from the areas of the cellulose crystalline C4 signal (δ 86-92 ppm) over the entire C4 regions (δ 79-92 ppm) in the NMR spectra.

Cellulose, crystallinity index, switchgrass, solid↗
DOE OSTI2022

Effect of interfacial vibrational coupling on surface wettability and water transport

Here, we report that the atomic-scale vibrational coupling at the solid-fluid interface can substantially alter the interfacial properties such as wettability and fluid slip. The wettability of water droplets on substrates subjected to various vibrational frequencies is studied using molecular dynamics simulation. The contact angle increases (i.e., becomes more hydrophobic) when the oscillation frequency of the substrate matches the intermolecular bending frequency of liquid water. We investigate the underlying mechanism by examining the dynamics of water molecules at the interface and find that the temporal contact between the solid and fluid is shorter when the frequencies match, resulting in weak solid-fluid adsorption. We further report that the vibrational match at the interface reduces wall-fluid friction and enhances water transport through the nanopore. Our findings demonstrate the importance of the atomic-scale vibrational coupling at the solid-fluid interface on the physicochemical behavior of nanodevices and biological nanochannels.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Thermal evaporation of thin Li films

Thermal evaporation of lithium is considered a promising technique for the fabrication of clean lithium thin films for solid-state batteries. Here, in this study, we present a practical investigation of nanometer scale lithium films prepared by evaporation on different substrates. These substrates include Li-alloying and nonalloying metals as well as different classes of solid-state lithium-ion conductors. The deposition rate was also varied. For films less than 100 nm thick, the data show that the deposition rate has the biggest impact on the surface coverage. At 50 Å/s, Li forms small particles <1 μm in diameter while higher deposition rate of 150 Å/s resulted in more uniform film morphology on all the substrates. At the lower deposition rates, the wetting of Li to the substrate will impact the particle morphology. We also used the particles to estimate a contact angle between Li and the substrate to qualitatively compare the adhesion from substrate to substrate. The smallest contact angle was observed from lithium films on Li 7 La 3 Zr 2 O 12 and LiPON (nominal Li 2.94 PO 3.5 N 0.31 ) solid-state electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Role of matrix elements in the time-resolved photoemission signal

Time- and angle-resolved photoemission spectroscopy (TR-ARPES) provides access to the ultrafast evolution of electrons andmany-body interactions in solid-state systems. However, themomentum- and energy-resolved transient photoemission intensitymay not be unambiguously described by the intrinsic relaxation dynamics of photoexcited electrons alone.The interpretation of the time-dependent photoemission signal can be affected by the transient evolution of the electronic distribution, and both the one-electron removal spectral function aswell as the photoemissionmatrix elements. Here we investigate the topological insulator Bi 1.1 Sb 0.9 Te 2 S to demonstrate, bymeans of a detailed probe-polarization dependent study, the transient contribution ofmatrix elements toTR-ARPES.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Polarisation analysis of optimal conditions for stationary second-harmonic generation in a solid-state laser

The Jones matrix method is used to study the optimal conditions for steady-state generation through intracavity frequency conversion in a solid-state laser under type-II phase matching based on a weakly anisotropic model of an active medium (amplitude and phase anisotropy) and a nonlinear element. The optimal rotation angles of the nonlinear element are found. (nonlinear optical phenomena)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2019

CHANGO: A Software Tool for Boost Stage Guidance of the Space Launch System Exploration Mission 1

The Day of Launch Initiation Load Update (DOLILU) System is the means by which the Space Launch System (SLS) Vehicle trajectory is designed, verified, and uploaded on the Day of Launch (DOL) in order to ensure a safe flight. Launch vehicles are designed to fly down a narrow angle of attack and sideslip angle corridor in order to keep them within structural load limits. The angle of attack and sideslip angle response to the launch vehicle experiences can vary significantly based upon the winds experienced on the DOL. SLS Boost Stage flight employs an open-loop guidance scheme through Solid Rocket Booster (SRB) separation. In the SLS open-loop scheme, the vehicle will fly a prescribed set of attitudes as a function of the change in altitude since launch. This set of reference attitude values and corresponding altitude reference independent values are designed with ground software using winds measured on the DOL with the goal of minimizing angle of attack and sideslip angle, thereby minimizing related ascent integrated vehicle structural loads. The table of Boost Stage attitude commands as a function of altitude gained since launch is called the chi table. A software tool called CHANGO (Chi Angle Optimizer) designs the Boost Stage chi table which is uploaded to the vehicle’s flight computer and used during ascent by the flight software (FSW). The wind and atmospheric conditions are measured prior to launch and pre-processed to become input to the CHANGO software along with a set of parameters developed in advance of the DOL. CHANGO’s target set consists of the heading and altitude rate at SRB separation determined well before launch by the Program to Optimize Simulated Trajectories (POST). CHANGO consists of a simplified three degree-of-freedom (3-DOF) simulation representing the SLS launch configuration. In general, the launch azimuth is strongly correlated with the heading at SRB separation, and the initial pitchover rate is strongly correlated with the altitude rate at SRB separation. CHANGO uses an adaptation of Powell’s method to vary the initial pitchover rate and launch azimuth to solve a 2-dimentional minimization problem. CHANGO’s trajectory simulation is phase-based, with flight events separating the phases. Each flight phase has different attitude alignment logic. CHANGO’s 3-DOF simulation starts when the vehicle’s thrust-to-weight ratio equals one, and ends at a pre-calculated SRB separation time.

Ahmad, Naeem↗
NASA NTRS1993

Ignition Transient Calculations in the Space Shuttle Solid Rocket Motor

The work presented is part of an effort to develop a multidimensional ignition transient model for large solid propellant rocket motors. On the Space Shuttle, the ignition transient in the slot is induced when the igniter, itself a small rocket motor, is fired into the head-end portion of the main rocket motor. The computational results presented in this paper consider two different igniter configurations. The first configuration is a simulated Space Shuttle RSRM igniter which has one central nozzle that is parallel to the centerline of the motor. The second igniter configuration has a nozzle which is canted at an angle of 45 deg from the centerline of the motor. This paper presents a computational fluid dynamic (CFD) analyses of certain flow field characteristics inside the solid propellant star grain slot of the Space Shuttle during the ignition transient period of operation for each igniter configuration. The majority of studies made to date regarding ignition transient performance in solid rocket motors have concluded that the key parameter to be determined is the heat transfer rate to the propellant surface and hence the heat transfer coefficient between the gas and the propellant. In this paper the heat transfer coefficients, pressure and velocity distributions are calculated in the star slot. In order to validate the computational method and to attempt to establish a correlation between the flow field characteristics and the heat transfer rates a series of cold flow experimental investigations were conducted. The results of these experiments show excellent qualitative and quantitative agreement with the pressure and velocity distributions obtained from the CFD analysis. The CFD analysis utilized a classical pipe flow type correlation for the heat transfer rates. The experimental results provide an excellent qualitative comparison with regard to spatial distribution of the heat transfer rates as a function of nozzle configuration and igniter pressure. The results indicate that from a quantitative point of view that the pipe flow correlation gives reasonably good results. Furthermore, there appears to be a direct correlation between igniter pressure and an average Reynolds number in the star grain slot. This may lead to a simple method for modifying the convection heat transfer correlation. Calculated results of pressure-vs-time for the first 200 msec of motor firing of the Space Shuttle RSRM support the trends shown for the heat transfer rate comparisons between the cold flow CFD and experimental data.

Jenkins, Rhonald M.↗
DOE OSTI2019

A periodic metallo-supramolecular polymer from a flexible building block: self-assembly and photocatalysis for organic dye degradation

A water-soluble metallo-supramolecular polymer MSP-f-6Np , which possesses a regular pore aperture of 1.4 nm, has been assembled from a structurally flexible naphthalene-appended [Ru(bipy) 3 ] 2+ complex and cucurbit[8]uril. As the first periodic metallo-supramolecular polymer formed by a flexible building block, MSP-f-6Np exhibits a hydrodynamic diameter of 122 and 164 nm at 0.1 and 2.0 mM of the monomer concentrations. Synchrotron small angle X-ray scattering experiments confirm that MSP-f-6Np possesses porosity periodicity in both the solution and solid states. Compared with a control, the new highly ordered porous system displays enhanced photocatalytic activity for the degradation of organic dyes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Volume collapse phase transitions in cerium-praseodymium alloys under high pressure

Cerium-12at%Praseodymium(Ce 0.88 Pr 0.12 ) and Ce-50at%Praseodymium(Ce 0.50 Pr 0.50 ) alloy samples that contain a random solid-solution of Ce (4f1 (J=5/2)) and Pr (4f2 (J=4)) localized f-states have been studied by angle dispersive x-ray diffraction in a diamond anvil cell to a pressure of 65 GPa and 150 GPa respectively using a synchrotron source. Ce 0.88 Pr 0.12 alloy crystallizes in a face-centered cubic (γ-phase) structure at ambient conditions, while Ce 0.50 Pr 0.50 alloy crystallizes in the double hexagonal close packed (dhcp) structure at ambient conditions. Two distinct volume collapse transitions are observed in Ce 0.88 Pr 0.12 alloy at 1.5 GPa and 18 GPa with volume change of 8.5% and 3% respectively. In contrast, Ce 0.50 Pr 0.50 alloy shows only a single volume collapse of 5.6% at 20 GPa on phase transformation to α-Uranium structure under high pressure. Electrical transport measurements under high pressure show anomalies in electrical resistance at phase transitions for both compositions of this alloy.

36 MATERIALS SCIENCE↗