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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Surface equilibration mechanism controls the molecular packing of glassy molecular semiconductors at organic interfaces

Significance Because glasses are nonequilibrium materials, even a single-component system has an enormous number of distinct glass structures. Physical vapor deposition (PVD) is an important tool for preparing a wide range of these glasses. While the substrate can influence structure for hundreds of nanometers for crystalline and liquid crystalline systems, little is known about the structure of PVD glasses near an underlying substrate. This is important for organic electronics, as layers of PVD glasses as thin as 10 nm are used as active elements in organic light-emitting diodes, and molecular packing is vital to performance. We show that the free surface controls molecular packing of PVD glasses near a buried interface rather than the substrate, in sharp contrast with crystalline systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Moving from Fundamental Knowledge of Kinetics and Mechanisms on Surfaces to Prediction of Catalyst Performance in Reactors

Catalysis is defined by kinetics, but after over a century of catalyst development our kinetic and mechanistic knowledge governing real-world catalysis is still severely lacking. This Perspective considers how we can use the precise knowledge available from both theoretical and fundamental experimental techniques to understand and even predict catalytic performance under operational conditions. Here, we describe advances that link fundamental and "real-world" measurements, crucial elements required to successfully recreate a reaction network, and avenues which appear to offer viable routes to success.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Surface-mediated spontaneous emulsification of the acylated peptide, semaglutide

Acylated peptides composed of glucagon-like peptide-1 receptor agonists modified with a fatty acid side chain are an important class of therapeutics for type 2 diabetes and obesity but are susceptible to an unusual physical instability in the presence of hydrophobic surfaces, i.e., spontaneous emulsification, also known as ouzo formation in practice. In this work, light scattering, small-angle X-ray scattering, and circular dichroism measurements are used to characterize the physical properties of the semaglutide colloidal phase, including size distribution, shape, secondary structure, internal structure, and internal composition, as a function of solution physico-chemical conditions. The existence and size of the colloids formed are successfully predicted by a classical Rayleigh model, which identifies the parameters controlling their size and formation. Colloid formation is found to be catalyzed by hydrophobic surfaces, and formation rates are modeled as an autocatalytic reaction, enabling the formation of a master curve for various surfaces that elucidates the mechanism. Surfaces differ due to differences in surface wettability, which can be correlated with Hansen solubility parameters. This work provides insights into this unusual colloidal phenomenon and guides the peptide synthesis process and drug product formulation in the pharmaceutical industry.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1984

Fracture mechanics and surface chemistry investigations of environment-assisted crack growth

It is pointed out that environment-assisted subcritical crack growth in high-strength steels and other high-strength alloys (particularly in hydrogen and in hydrogenous environments) is an important technological problem of long standing. This problem is directly related to issues of structural integrity, durability, and reliability. The terms 'hydrogen embrittlement' and 'stress corrosion cracking' have been employed to describe the considered phenomenon. This paper provides a summary of contributions made during the past ten years toward the understanding of environmentally assisted crack growth. The processes involved in crack growth are examined, and details regarding crack growth and chemical reactions are discussed, taking into account crack growth in steels exposed to water/water vapor, the effect of hydrogen, reactions involving hydrogen sulfide, and aspects of fracture surface morphology and composition. Attention is also given to the modeling of crack growth response, crack growth in gas mixtures, and the interaction of solute atoms with the crack-tip stress field.

Wei, R. P.↗
NASA NTRS1992

Deployable reflector antenna performance optimization using automated surface correction and array-feed compensation

Methods for increasing the electromagnetic (EM) performance of reflectors with rough surfaces were tested and evaluated. First, one quadrant of the 15-meter hoop-column antenna was retrofitted with computer-driven and controlled motors to allow automated adjustment of the reflector surface. The surface errors, measured with metric photogrammetry, were used in a previously verified computer code to calculate control motor adjustments. With this system, a rough antenna surface (rms of approximately 0.180 inch) was corrected in two iterations to approximately the structural surface smoothness limit of 0.060 inch rms. The antenna pattern and gain improved significantly as a result of these surface adjustments. The EM performance was evaluated with a computer program for distorted reflector antennas which had been previously verified with experimental data. Next, the effects of the surface distortions were compensated for in computer simulations by superimposing excitation from an array feed to maximize antenna performance relative to an undistorted reflector. Results showed that a 61-element array could produce EM performance improvements equal to surface adjustments. When both mechanical surface adjustment and feed compensation techniques were applied, the equivalent operating frequency increased from approximately 6 to 18 GHz.

Schroeder, Lyle C.↗
NASA NTRS2007

Granular Mechanics and Surface Systems Lab

The cratering of sand under gas jets is observed to further understanding of soil in hopes to further understand lunar soil. Lunar soil is important to understand because it is causing problems with the materials taken into space including the shuttle. Lunar soil is not rounded like beach sand. Lunar soil is sharp like little particles of glass, and some times when blown they can hook on to one another and become bigger particles. The experiments are designed to help to understand some of the basic physics in how the shuttle jets will interact with lunar soil and how to control the lunar soil. These experiments investigate the diameter of the gas jet and the size of the sand grains to determine how these parameters affect the erosion rate and the cratering processes. Therefore, the experiments preformed will point out what is dependent and what is independent.

Randle, Leah↗
NASA NTRS2017

Impact Delivery of Reduced Greenhouse Gases on Early Mars

Reducing greenhouse gases are once again the latest trend in finding solutions to the early Mars climate dilemma. In its current form - as proposed by Ramirez et al. [1], later refined by Wordsworth et al. [2], and confirmed by Ramirez [3] - collision induced absorptions between CO2-H2 or CO2-CH4 provide enough extra greenhouse power to raise global mean surface temperatures to the melting point of water provided the atmosphere is thick enough and the reduced gases are abundant enough. To raise surface temperatures significantly by this mechanism, surface pressures must be at least 500 mb and H2 and/or CH4 concentrations must be at or above the several percent level. Both Wordsworth et al. [2] and Ramirez [3] show that the melting point can be reached in atmospheres with 1-2 bars of CO2 and 2-10% H2; smaller concentrations of H2 will suffice if CH4 is also present. If thick weakly reducing atmospheres are the solution to the faint young Sun paradox, then plausible mechanisms must be found to generate and sustain the gases. Possible sources of reducing gases include volcanic outgassing, serpentinization, and impact delivery; sinks include photolyis, oxidation, and escape to space. The viability of the reduced greenhouse hypothesis depends, therefore, on the strength of these sources and sinks.

greenhose gases↗
DOE OSTI2022

Unveiling mechanism of surface-guided platinum nanowire growth

We report surface-guided growth of non-planar nanowires on functional substrates offers the new opportunity to precisely control their diameter, length, density and alignment, which will greatly benefit their direct integration into practical devices for large-scale applications. However, control of noble metal nanowires growth and arrangement remains a great challenge, and the mechanistic understanding is still limited. Herein, we choose Pt as a model material system to study the synthesis conditions required to control the in situ growth of aligned Pt nanowires on flat titanium substrate via a one-step and room-temperature green chemical synthesis process in aqueous solution. Most importantly, it is for the first time discovered that ordered nanoarrays and self-assembled nanoflowers can be directly grown on flat Ti substrate by merely adjusting the reaction times, without use of any soft/hard templates, surfactants and organic solvents. The proposed surface-guided growth mechanisms for nanoarray and nanoflower formation in this study may shed light on understanding of oriented arrangement/assembly of one-dimensional Pt nanowires into desirable morphologies for a variety of practical device applications.

Pt nanoflower↗
DOE OSTI2025

Understanding coarsening of a post-corrosion microstructure in a molten salt by combining phase-field modeling and in situ tomography

Alloys corroding in molten salt have been observed to form bicontinuous, nanoporous microstructures via dealloying, which subsequently undergo coarsening due to facile transport in high-temperature conditions. In this work, we describe a methodology to elucidate the underlying transport mechanisms during coarsening of a bicontinuous microstructure via quantitative comparisons between phase-field simulations and four-dimensional in situ experiments, in this case X-ray nanotomography of the coarsening of a dealloyed 80 wt% Ni-20 wt% Cr microwire in molten KCl-MgCl 2 at 800°C. We conduct phase-field simulations initialized from experimental data to model coarsening via three different transport mechanisms: surface diffusion, solid bulk diffusion, and liquid bulk diffusion. These simulations reproduce key features of the experiment, such as the densification of the outer layer of the dealloyed wire and the reduction in radius over time. We quantitatively compare different microstructural characteristics between the simulations and experiment and extract temporal scaling factors that optimally match the time scales of the simulations to that of the experiment. This allows us to evaluate morphological similarity between the simulations and experiment and relate the experimental coarsening kinetics to fundamental material properties. We find that surface diffusion is most likely to be the dominant coarsening mechanism, and its kinetics imply a surface diffusivity of D S = 8.9 x 10 -20 m 3 /s, which is within the range of reported values for Ni-vacuum interfaces at 800°C. However, the difference between the experiment and the surface diffusion simulation increases substantially at late times, suggesting that other mechanisms, such as the dissolution of residual Cr, may be at play.

36 MATERIALS SCIENCE↗
NASA NTRS2016

A DSMC Surface Chemistry Model for Carbon-Based Ablators

A detailed molecular surface chemistry model for the DSMC (Direct Simulation Monte Carlo) method is proposed and implemented into the SPARTA (Stochastic PArallel Rarefied-gas Time-accurate Analyzer) DSMC solver. Molchanova et al. constructed a molecular model for surface recombination in DSMC that includes different surface processes (adsorption, desoprtion, Eley-Rideal and Langmuir-Hinshelwood). All surface processes can be divided into two groups: surface mechanisms, which involve only the particle adsorbed by the surface (desorption and Langmuir-Hinshelwood), and impact mechanisms, which also involve gas-phase particles (adsorption, Eley-Rideal). Using a similar approach, the 14-reaction kinetic model of oxygen-carbon interaction suggested by Zhlukhtov and Abe, as well as more recent models by Alba et al., Poovathinghal et al., and a new model developed in the scope of this work, are implemented in SPARTA. The computational results for the different oxidation models are compared with experimental results from Murray et al. (oxidation of a vitreous carbon surface due to a hyperthermal beam of O and O2), with a particular focus on fluxes, angular and Time-Of-Flight distributions of scattered particles.

oxidation↗
DOE OSTI2022

Design and characterization of surface molecular assemblies for the preparation of solar fuels

A key issue in solar energy conversion is the utilization of solar energy for the preparation of solar fuels. In this area, artificial photosynthesis offers promising approaches for the conversion of H 2 O and CO 2 into usable solar fuels. This review highlights both the design and characterization of surface molecular assemblies for the preparation of solar fuels. It includes mechanistic summaries of the details of the underlying surface chemical reactions including water oxidation and proton/water reduction. The surface mechanisms are shown to integrate molecular reactivity with surface electron transfer in integrated assemblies that lead to impressive efficiencies for water oxidation and proton or CO 2 reduction.

catalysts and catalysis↗
NASA NTRS1972

Study of mechanism which causes film formation on mercury surfaces

The mechanism by which small quantities of dissolved tin, sodium, and lithium lower the rate of evaporation of mercury in vacuum is determined. An apparatus was built in which dilute amalgams could be prepared and studied in an oxygen-free environment before being exposed to oxygen under controlled conditions. The apparatus was able to maintain a pressure of less than 1.3 x 0.000001 N/sqm (10 to the minus 8th power torr) of gases and vapors other than mercury and less than 1.3 x 10 to the minus 8th N/sq m (10 to the minus 10th power torr) partial pressure of oxygen; also, it provided for mechanical sweeping of the liquid metal surfaces in the vacuum environment. The rates of evaporation of pure mercury and of dilute amalgams of tin (52 ppm), sodium (229 ppm), and lithium (165 ppm) were determined at temperature between 25 and 55 C both before and after 70 minute exposures to an approximately 270 N/sq m (2 torr) pressure of oxygen. The rates of evaporation of the pure mercury and the amalgams as first prepared were similar but the rates for the amalgams were reduced by at least 80% at 25 C as a result of the exposure to oxygen. The effect of the oxygen treatment could be completely removed by sweeping the amalgam surfaces. It was concluded that the reduced rates of evaporation resulted from the formation of transparent, insoluble, oxide films on the amalgam surfaces.

Frohnsdorff, G.↗
NASA NTRS1982

High-temperature electronics applications in space exploration

One of the most exciting applications of high-temperature electronics is related to the exploration of the planet Venus. On this planet the atmospheric temperatures range from about 170 K at elevations of 100 km to a searing 730 K near the surface. Mechanisms for exploring the atmosphere might include balloons, airplanes, surface landers, and surface-launched probes. Balloons, for example, could fly in the region from 20 (320 C at 22 bars) to 60 km (-20 C at 0.2 bar). Suitable balloon fabrics presently exclude excursions to lower altitudes; however, adequate electronic systems could survive to 325 C. Small airplanes would require more sophisticated electronics for guidance and control. Long life surface landers would most likely be developed first, as these could be used to measure long-term variations in weather. Ranging transponders would be important for ephemeris development, measurement of spin state, and studies of general relativity. Surface temperatures of 460 C and pressures of 90 bars present a challenge to the developers of such instruments. Other space applications for high-temperature electronics include transponders for the surface of Mercury, near solar drag-free orbiters, and deep atmospheric penetrators for Jupiter and Saturn. Each of these has its own particular problems with respect to instrumentation adequate to meet the desired scientific goals. This paper is primarily concerned with defining possible mission applications, the required electronic systems, and the approaches that are currently being studied for their development.

Jurgens, R. F.↗
NASA NTRS1977

Optical polarimetry of particulate surfaces

Reflection polarimetry is a remote-sensing tool sensitive to the refractive index and microtexture of solid surfaces. Mechanisms producing linear polarization within a rough, porous, or particulate surface are discussed, and laboratory techniques for precise measurements are described in some detail. Polarimetry of atmosphereless solar-system bodies provides valuable indications of albedo for objects too small and distant for direct diameter determinations, and reveals that even quite small asteroids and satellites have particulate surfaces

Zellner, B.↗