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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Molecular Dynamics Investigation of Nanoscale Hydrophobicity of Polymer Surfaces: What Makes Water Wet?

The wettability of a polymer surface–related to its hydrophobicity or tendency to repel water–can be crucial for determining its utility, such as for a coating or a purification membrane. While wettability is commonly associated with the macroscopic measurement of a contact angle between surface, water, and air, the molecular physics that underlie these macroscopic observations are not fully known, and anticipating relative behavior of different polymers is challenging. To address this gap in molecular-level understanding, we use molecular dynamics simulations to investigate and contrast interactions of water with six chemically distinct polymers: polytetrafluoroethylene, polyethylene, polyvinyl chloride, poly(methyl methacrylate), Nylon 66, and polyvinyl alcohol. We show that several prospective quantitative metrics for hydrophobicity agree well with experimental contact angles. Moreover, the behavior of water in proximity to these polymer surfaces can be distinguished with analysis of interfacial water dynamics, extent of hydrogen bonding, and molecular orientation–even when macroscopic measures of hydrophobicity are similar. The predominant factor dictating wettability is found to be the extent of hydrogen bonding between polymer and water, but the precise manifestation of hydrogen bonding and its impact on surface-water structure varies. In the absence of hydrogen bonding, other molecular interactions and polymer mechanics control hydrophobic ordering. Furthermore, these results provide new insights into how polymer chemistry specifically impacts water-polymer interactions and translates to surface hydrophobicity. Such factors may facilitate the design or processing of polymer surfaces to achieve targeted wetting behavior, and presented analyses can be useful in studying the interfacial physics of other systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Nickel Isonicotinate Framework with Optimal Pore Structure for Complete Discrimination of Hexane Isomers

Efficient separation of physicochemically similar alkanes is of vital importance. Adsorptive separation utilizing porous materials such as metal–organic frameworks with tunable pore structure and surface functionality represents an energy-efficient technology. In this study, we demonstrate successful separation of alkanes with varying degree of branching using a microporous nickel isonicotinate framework, Ni(4-PyC) 2 . Its 2-fold interpenetrated diamondoid structure with well-suited pore size enables selective adsorption of linear and monobranched hexane isomers, while excluding dibranched isomer. Breakthrough experiments validated its capability to completely discriminate all three hexane isomers. Ab initio calculations combined with in situ infrared spectroscopic analysis unveiled the nature of host–guest interactions and differences in the binding energies and diffusion barriers among the isomers. Furthermore, having well-balanced adsorption uptakes (146 and 79 mg g –1 of nHEX and 3MP), high nHEX/DMB uptake ratio (12.2) and fast kinetics, Ni(4-PyC) 2 stands out as a promising adsorbent for complete separation of hexane isomers under ambient conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Estimating Effects of Multipath Propagation on GPS Signals

Multipath Simulator Taking into Account Reflection and Diffraction (MUSTARD) is a computer program that simulates effects of multipath propagation on received Global Positioning System (GPS) signals. MUSTARD is a very efficient means of estimating multipath-induced position and phase errors as functions of time, given the positions and orientations of GPS satellites, the GPS receiver, and any structures near the receiver as functions of time. MUSTARD traces each signal from a GPS satellite to the receiver, accounting for all possible paths the signal can take, including all paths that include reflection and/or diffraction from surfaces of structures near the receiver and on the satellite. Reflection and diffraction are modeled by use of the geometrical theory of diffraction. The multipath signals are added to the direct signal after accounting for the gain of the receiving antenna. Then, in a simulation of a delay-lock tracking loop in the receiver, the multipath-induced range and phase errors as measured by the receiver are estimated. All of these computations are performed for both right circular polarization and left circular polarization of both the L1 (1.57542-GHz) and L2 (1.2276-GHz) GPS signals.

Byun, Sung↗
NASA NTRS1992

Fully nonlinear development of the most unstable goertler vortex in a three dimensional boundary layer

The nonlinear development is studied of the most unstable Gortler mode within a general 3-D boundary layer upon a suitably concave surface. The structure of this mode was first identified by Denier, Hall and Seddougui (1991) who demonstrated that the growth rate of this instability is O(G sup 3/5) where G is the Gortler number (taken to be large here), which is effectively a measure of the curvature of the surface. Previous researchers have described the fate of the most unstable mode within a 2-D boundary layer. Denier and Hall (1992) discussed the fully nonlinear development of the vortex in this case and showed that the nonlinearity causes a breakdown of the flow structure. The effect of crossflow and unsteadiness upon an infinitesimal unstable mode was elucidated by Bassom and Hall (1991). They demonstrated that crossflow tends to stabilize the most unstable Gortler mode, and for certain crossflow/frequency combinations the Gortler mode may be made neutrally stable. These vortex configurations naturally lend themselves to a weakly nonlinear stability analysis; work which is described in a previous article by the present author. Here we extend the ideas of Denier and Hall (1992) to the three-dimensional boundary layer problem. It is found that the numerical solution of the fully nonlinear equations is best conducted using a method which is essentially an adaption of that utilized by Denier and Hall (1992). The influence of crossflow and unsteadiness upon the breakdown of the flow is described.

Otto, S. R.↗
DOE OSTI2020

Electron Tunneling and X-Ray Photoelectron Spectroscopy Studies of the Superconducting Properties of Nitrogen-Doped Niobium Resonator Cavities

Scanning tunneling microscopy and spectroscopy and X-ray photoelectron spectroscopy (XPS) have been used to investigate the differences between the surface electronic structures and chemical structure of typically prepared and N-doped Nb cutouts from superconducting radio frequency (SRF) cavities. The goal of this work is to get insights into the fundamental physics and materials mechanisms behind the striking decrease of the surface resistance with the radiofrequency magnetic field, which has been observed by many groups on N-doped Nb cavities. In particular, we address the effects of N-doping on the superconducting properties at the surface of SRF cavities. XPS measurements reveal a significantly more oxidized Nb 3d states on the N-doped Nb surfaces which is confirmed by tunneling spectroscopy measurements. Analysis of the tunneling spectra in the framework of a recent model (A. Gurevich and T. Kubo Phys. Rev. B 96, 184515 (2017)) shows that the N-doping greatly reduces local distribution of superconducting properties on the surface, causes a significant shrinkage of the metallic suboxide and changes the contact resistance between the metallic suboxide and the bulk niobium toward an optimum value, resulting in a lower surface resistance. Combination of these factors enables one to effectively tune the density of states at the surface and to reveal the decrease of the surface resistance with the radio frequency field which follows from the BCS theory. A slightly reduced average gap and a smaller coherence length, revealed by tunneling spectroscopy in the vortex cores, have been found in the N-doped Nb samples compared to typically prepared Nb samples, indicating a stronger impurity scattering caused by nitrogen doping in a moderately disordered material.

Lechner, Eric M.↗
NASA NTRS1982

Reentry heat transfer analysis of the space shuttle orbiter

A structural performance and resizing finite element thermal analysis computer program was used in the reentry heat transfer analysis of the space shuttle. Two typical wing cross sections and a midfuselage cross section were selected for the analysis. The surface heat inputs to the thermal models were obtained from aerodynamic heating analyses, which assumed a purely turbulent boundary layer, a purely laminar boundary layer, separated flow, and transition from laminar to turbulent flow. The effect of internal radiation was found to be quite significant. With the effect of the internal radiation considered, the wing lower skin temperature became about 39 C (70 F) lower. The results were compared with fight data for space transportation system, trajectory 1. The calculated and measured temperatures compared well for the wing if laminar flow was assumed for the lower surface and bay one upper surface and if separated flow was assumed for the upper surfaces of bays other than bay one. For the fuselage, good agreement between the calculated and measured data was obtained if laminar flow was assumed for the bottom surface. The structural temperatures were found to reach their peak values shortly before touchdown. In addition, the finite element solutions were compared with those obtained from the conventional finite difference solutions.

Ko, W. L.↗
NASA NTRS1973

Numerical solution for the inviscid supersonic flow in the corner formed by two intersecting wedges.

The inviscid, interference corner flow generated by two intersecting wedges immersed in a supersonic stream is obtained by use of a second-order, shock-capturing, finite-difference approach. The governing equations are solved iteratively in conical coordinates to yield the flow structure consisting of multiple shock and slip surfaces. The numerical results for shock wave and slip surface position and structure, pitot pressure traverses, and surface pressure distributions are compared with experimental data obtained over a wide range of Reynolds numbers. The comparisons show the best agreement with the high Reynolds number (greater than 3,000,000) results for which the boundary layer is turbulent.

Kutler, P.↗
DOE OSTI2025

Multi-Functional Smart Structures for Smart Vehicles

This report summarizes the development of a new class of recyclable multi-functional composite materials for production of lightweight smart structures and surfaces. Functional high stiffness conductive composites were processed using molding methods that integrated continuous fiber and additively manufactured features. Methods for integration of sensing functionality and controls were also developed to reduce system cost while providing a new capability for structural health monitoring. This new class of composites is applicable to a broad range of vehicle interior, exterior and battery enclosure systems. By way of demonstration, a vehicle instrument panel cross car beam was developed that provided a 38% mass savings compared to steel while maintaining a cost penalty competitive to alternate lightweight material solutions. These technologies were validated for implementation by a uniquely qualified project team comprising a US automotive OEM, Tier 1 and Tier 2 supplier, with key contributions from Oak Ridge National Lab, Purdue University and Michigan State University.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS2001

Soot Surface Growth in Laminar Hydrocarbon/Air Diffusion Flames

The structure and soot surface growth properties of round laminar jet diffusion flames were studied experimentally. Measurements were made along the axes of ethylene-, propylene-propane- and acetylene-benzene-fueled flames burning in coflowing air at atmospheric pressure with the reactants at normal temperature. The measurements included soot structure, soot concentrations, soot temperatures, major gas species concentrations, some radial species (H, OH and O) concentrations, and gas velocities. These measurements yielded the local flame properties that are thought to affect soot surface growth as well as local soot surface growth rates. When present results were combined with similar earlier observations of acetylene-fueled laminar jet diffusion flames, the results suggested that soot surface growth involved decomposition of the original fuel to form acetylene and H, which were the main reactants for soot surface growth, and that the main effect of the parent fuel on soot surface growth involved its yield of acetylene and H for present test conditions. Thus, as the distance increased along the axes of the flames, soot formation (which was dominated by soot surface growth) began near the cool core of the flow once acetylene and H appeared together and ended near the flame sheet when acetylene disappeared. Species mainly responsible for soot oxidation - OH and O2 were present throughout the soot formation region so that soot surface growth and oxidation proceeded at the same time. Present measurements of soot surface growth rates (corrected for soot surface oxidation) in laminar jet diffusion flames were consistent with earlier measurements of soot surface growth rates in laminar premixed flames and exhibited good agreement with existing Hydrogen-Abstraction/Carbon-Addition (HACA) soot surface growth mechanisms in the literature with steric factors in these mechanisms having values on the order of unity, as anticipated.

El-Leathy, A. M.↗
NASA NTRS2003

Soot Surface Growth in Laminar Hydrocarbon/Air Diffusion Flames

The structure and soot surface growth properties of round laminar jet diffusion flames were studied experimentally. Measurements were made along the axes of ethylene-, propylene-propane- and acetylene-benzene-fueled flames burning in coflowing air at atmospheric pressure with the reactants at normal temperature. The measurements included soot structure, soot concentrations, soot temperatures, major gas species concentrations, some radial species (H, OH and 0) concentrations, and gas velocities. These measurements yielded the local flame properties that are thought to affect soot surface growth as well as local soot surface growth rates. When present results were combined with similar earlier observations of acetylene-fueled laminar jet diffusion flames, the results suggested that soot surface growth involved decomposition of the original fuel to form acetylene and H, which were the main reactants for soot surface growth, and that the main effect of the parent fuel on soot surface growth involved its yield of acetylene and H for present test conditions. Thus, as the distance increased along the axes of the flames, soot formation (which was dominated by soot surface growth) began near the cool core of the flow once acetylene and H appeared together and ended near the flame sheet when acetylene disappeared. Species mainly responsible for soot oxidation - OH and 02 were present throughout the soot formation region so that soot surface growth and oxidation proceeded at the same time. Present measurements of soot surface growth rates (corrected for soot surface oxidation) in laminar jet diffusion flames were consistent with earlier measurements of soot surface growth rates in laminar premixed flames and exhibited good agreement with existing Hydrogen-Abstraction/Carbon-Addition (HACA) soot surface growth mechanisms in the literature with steric factors in these mechanisms having values on the order of unity, as anticipated.

El-Leathy, A. M.↗
DOE OSTI2021

Robust Surface States and Coherence Phenomena in Magnetically Alloyed SmB 6

Samarium hexaboride is a candidate for the topological Kondo insulator state, in which Kondo coherence is predicted to give rise to an insulating gap spanned by topological surface states. Here we investigate the surface and bulk electronic properties of magnetically alloyed Sm 1-x M x B 6 (M = Ce, Eu), using angle-resolved photoemission spectroscopy and complementary characterization techniques. Remarkably, topologically nontrivial bulk and surface band structures are found to persist in highly modified samples with up to 30% Sm substitution and with an antiferromagnetic ground state in the case of Eu doping. The results are interpreted in terms of a hierarchy of energy scales, in which surface state emergence is linked to the formation of a direct Kondo gap, while low-temperature transport trends depend on the indirect gap.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Preparing large area of thermochromic nanocomposite films for smart window application

The challenges posed by high building energy bill necessitate proactive implementation of energy-efficient strategies to minimize the uses of both electricity and heating gas and promote the use of free solar energy sources. "Smart" window films/glass, leveraging thermochromic vanadium dioxide (VO 2 ), offer an adaptive approach to harness solar energy, significantly reducing the thermal load of buildings. This is achieved by reflecting the infrared portion of the solar spectrum through a phase transition in the monoclinic M-phase (M) of VO 2 induced by heating. In this study, a scalable continuous flow synthesis process invented by Argonne was employed to explore a wide parameter space, targeting the controlled synthesis of monoclinic VO 2 (M) nanoparticles with well-controlled sizes and morphologies. Additionally, a doping strategy and surface modifications were utilized for high-throughput tuning of the metal-to-insulator transition temperature. Strategies to enhance the solar modulation properties of VO 2 nanoparticles in polymer films were investigated through (i) morphological transformation from spherical to nanorod structures, (ii) surface modification with low refractive index ligands, and (iii) incorporation of additional thermochromic materials for improved solar energy modulation and aesthetically appealing colors in smart films. Furthermore, the study outlines scaling-up synthesis methods for VO 2 nanoparticles in a continuous flow reactor using hydrazine monohydrate. This comprehensive investigation provides valuable insights into the upscaling synthesis and design of advanced VO 2 /polymer composite smart window films with enhanced functionality, solar energy modulation and visible light transmittance, driving the technology a step close for industrial application.

14 SOLAR ENERGY↗
NASA NTRS1986

Temperature-plant pigment-optical relations in a recurrent offshore mesoscale eddy near Point Conception, California

The temperature-plant pigment-optical structure of a mesoscale anticyclonic eddy consistently found in shipboard surveys and satellite-sensed data several hundred kilometers southwest of Point Conception, CA, is described on three different time scales (100-day mesoscale, annual, and several-year). The satellite coastal zone color scanner (CZCS) ocean color imagery detected the near-surface chlorophyll structure of the eddy, but in situ optical and plant pigment data suggest that such imagery does not provide a good estimate of the integrated chlorophyll field of the eddy. The temperature and plant pigment boundaries of the eddy, as determined from two-dimensional gradients of advanced very high resolution radiometer (AVHRR) and CZCS imagery, do not coincide spatially. This and in situ temperature, plant pigment, and optical structure provide additional evidence that some eddy systems in the California Current are not isolated vortex systems but rather continuously entrain waters of nonlocal origin laterally into their upper layers. Within the California Current a ratio of AVHRR/CZCS data is useful for separating inshore from oceanic water masses and following their surface entrainment by offshore vortices. The historical 28-year California Cooperative Oceanic Fisheries Investigations data for the Point Conception region of the California Current and remotely sensed data over this region show that the Point Conception eddy is a recurrent feature in the offshore California Current. Moreover, the available data provide evidence that a large number of warm-core mesoscale eddies occur simultaneously in a transition zone between coastal and oceanic regimes, that these features recur at preferred locations within the transition zone, and that this family of eddies should impose a significant offshore boundary condition on the flow of the California Current.

Simpson, James J.↗
DOE OSTI2023

α-Quartz Phase Stabilization, Surface Texturing, and Tunable Optical Properties of Nanocrystalline GeO 2 Films Made by Pulsed-Laser Deposition: Implications for Optical and Optoelectronic Applications

Germanium oxide (GeO 2 ) has great potential in multifunctional devices and next-generation power electronics due to its high thermal conductivity and ambipolar doping capability. However, the complexity of synthesizing the desirable polymorph with a controlled phase, surface/interface quality, microstructure, and functional properties is the main barrier to GeO 2 utilization in advanced applications. Here, in this regard, we present a method to realize the hexagonal (h) or a-quartz type GeO 2 with nano-textured surface morphology on sapphire substrates using a hybrid synthesis strategy that comprises pulsed laser deposition (PLD) and post-deposition thermal annealing. We performed a comprehensive study to investigate the effect of annealing temperature, which was varied in a wide range (600-1100 °C), on the crystal structure, phase, surface morphology, chemical stoichiometry, defect states, and optical properties of PLD-grown GeO 2 films. As-deposited GeO 2 films at 500 °C were amorphous. Upon annealing, the GeO 2 films induced an amorphous-to-crystalline phase transformation; GeO 2 films annealed at higher annealing temperatures (≥900 °C) stabilized in the hexagonal phase and demonstrated excellent crystal quality and chemical stability. Thermally activated growth process showed increased average crystallite size, which was varied in the range of 20-130 (±2) nm, while the surface roughness followed a similar trend. The spectral transmittance and band gap also increased with increasing annealing temperature. The resulting h-GeO 2 films, particularly those obtained at annealing temperatures in the 900-1100 °C range, had a higher band gap of 6.2-6.3 eV and displayed excellent optical transmittance in the visible region. Moreover, the absence of extended valence band maxima and reduced optical defect density support the quality improvement upon annealing. When considering phase-pure bulk and nanostructured GeO 2 as a possible candidate for ultra wide band gap semiconductors in cutting-edge technological applications, the results of the current work can be beneficial to realize high structural and optical quality a-quartz structured GeO 2 films.

GeO2↗
NASA NTRS1999

Fiber Optic Sensor Components and Systems for Smart Materials and Structures

The general objective of the funded research effort has been the development of discrete and distributed fiber sensors and fiber optic centered opto-electronic networks for the intelligent monitoring of phenomena in various aerospace structures related to NASA Marshall specific applications. In particular, we have proposed and have been developing technologies that we believe to be readily transferrable and which involve new fabrication techniques. The associated sensors developed can be incorporated into the matrix or on the surfaces of structures for the purpose of sensing stress, strain, temperature-both low and high, pressure field variations, phase changes, and the presence of various chemical constituents.

Lyons, R.↗
DOE OSTI2024

Decoding Active Sites for Highly Efficient Semihydrogenation of Acetylene in Palladium–Copper Nanoalloys

Accurately decoding the three-dimensional atomic structure of surface active sites is essential yet challenging for a rational catalyst design. Here, we used comprehensive techniques combining the pair distribution function and reverse Monte Carlo simulation to reveal the surficial distribution of Pd active sites and adjacent coordination environment in palladium-copper nanoalloys. After the fine-tuning of the atomic arrangement, excellent catalytic performance with 98% ethylene selectivity at complete acetylene conversion was obtained in the Pd 34 Cu 66 nanocatalysts, outperforming most of the reported advanced catalysts. Further, t he quantitative deciphering shows a large number of active sites with a Pd-Pd coordination number of 3 distributed on the surface of Pd 34 Cu 66 nanoalloys, which play a decisive role in highly efficient semihydrogenation. This finding not only opens the way for guiding the precise design of bimetal nanocatalysts from atomic-level insight but also provides a method to resolve the spatial structure of active sites.

36 MATERIALS SCIENCE↗
NASA NTRS1988

An optimal structure for a 34-meter millimeter-wave center-fed BWG antenna: The Cross-Box concept

An approach to the design of the planned NASA/JPL 34 m elevation-over-azimuth (Az-El) antenna structure at the Venus site (DSS-13) is presented. The antenna structural configuration accommodates a large (2.44 m) beam waveguide (BWG) tube centrally routed through the reflector-alidade structure, an elevation wheel design, and an optimal structural geometry. The design encompasses a cross-box elevation wheel-reflector base substructure that preserves homology while satisfying many constraints, such as structure weight, surface tolerance, stresses, natural frequency, and various functional constraints. The functional requirements are set to ensure that microwave performance at millimeter wavelengths is adequate. The cross-box configuration was modeled, optimized, and found to satisfy all DSN HEF baseline antenna specifications. In addition, the structure design was conceptualized and analyzed with an emphasis on preserving the structure envelope and keeping modifications relative to the HEF antennas to a minimum, thus enabling the transferability of the BWG technology for future retrofitting. Good performance results were obtained.

Chuang, K. L.↗