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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
NASA NTRS1994

Surface pressure measurement by oxygen quenching of luminescence

Methods and compositions for measuring the pressure of an oxygen-containing gas on an aerodynamic surface, by oxygen-quenching of luminescence of molecular sensors is disclosed. Objects are coated with luminescent films containing a first sensor and at least one of two additional sensors, each of the sensors having luminescences that have different dependencies on temperature and oxygen pressure. Methods and compositions are also provided for improving pressure measurements (qualitative or quantitive) on surfaces coated with a film having one or more types of sensor.

Gouterman, Martin P.↗
NASA NTRS1986

Environmentally stable polymers and coatings for space application: CH-5, supplement 10

High molecular weight, randomly coupled poly(imide siloxane) soluble block copolymers were synthesized from bis(amino propyl) polydimethylsiloxane equilibrates of various molecular weights, aromatic metalinked diamines, and 3,3'-4,4'-benzophenone tetracarboxylic dianhydride (BTDA). Two synthetic procedures were successfully used to synthesize the poly(amic acid siloxane) intermediates. For both synthetic procedures, a cosolvent system was employed to achieve complete solvation of all components throughout the polymerization. Physical property characterization is continuing.

Sykes, G.↗
NASA NTRS1993

Molecular contamination and the calibration of AXAF

By the end of this decade, the two missions comprising the Advanced X-ray Astrophysics Facility (AXAF) will become the X-ray component of NASA's Great Observatories. In order to meet some of the ambitious scientific objectives, the AXAF team plans to calibrate the telescopes and instruments to an accuracy of a few percent. Particulate and molecular contamination potentially limit this precision, because they would likely change between ground calibration and orbital operation. To avoid this requires careful control over procedures affecting the coated optical surfaces, to ensure that neither particulate nor molecular contamination compromise the calibration. In particular, the fractional areal coverage by particulates or condensed droplets must be less than 0.005 projected onto the aperture plane; the thickness of any molecular film must be less than a few tens of angstrom.

Elsner, R. F.↗
NASA NTRS2002

Durability of Solar Selective Coatings in a Simulated Space Environment

Solar selective coatings are being considered for heat engine and thermal switching applications on minisatellites. Such coatings must have the combined properties of high solar absorptance and low infrared emittance. High solar absorptance is needed to collect solar energy as efficiently as possible while low infrared emittance is needed to minimize radiant energy loss at operating temperature. These properties are achieved in sputter deposited thin films through the use of molecular mixtures of metal and dielectric. Solar selective coatings having a solar absorptance to infrared emittance ratio of 9 have been successfully deposited using a mixture of nickel and aluminum oxide. The space environment, however, presents some challenges for the use of materials on the exterior of spacecraft, including durability to atomic oxygen and vacuum ultraviolet radiation. To address these concerns, several candidate solar selective coatings were exposed to atomic oxygen in a plasma asher and to ultraviolet radiation in a vacuum facility equipped with calibrated deuterium lamps. The optical properties of the coatings were monitored as a function of time to evaluate their performance over long term exposure to the simulated space environment. Several coatings were found to be durable to both the atomic oxygen and the vacuum ultraviolet environments.

Jaworske, Donald A.↗
NASA NTRS1988

A Near-Infrared Mapping Spectrometer for investigation of Jupiter and its satellites

The Near-Infrared-Mapping Spectrometer (NIMS) is one of the science instruments in the Galileo mission, which will explore Jupiter and its satellites in the mid-1990's. The NIMS experiment will map geological units on the surfaces of the Jovian satellites and characterize their mineral content; and, for the atmosphere of Jupiter, investigate cloud properties and the spatial and temporal variability of molecular abundances. The optics are gold-coated reflective and consist of a telescope and a grating spectrometer. The balance of the instrument includes a 17-detector (silicon and indium antimonide) focal plane array, a tuning fork chopper, microprocessor-controlled electronics, and a passive radiative cooler. A wobbling secondary mirror in the telescope provides 20 pixels in one dimension of spatial scanning in a pushbroom mode with 0.5 mr x 0.5 mr instantaneous field of view. The spectral range is 0.7-5.2 microns; resolution is 0.025 micron. NIMS is the first infrared experiment to combine both spatial and spectral mapping capability in one instrument.

Aptaker, Irving M.↗
NASA NTRS2000

Measurements with the Chandra Flight Contamination Monitor

NASA's Chandra X-ray Observatory includes a Flight Contamination Monitor (FCM), a system of 16 radioactive calibration sources mounted to the inside of the Observatory's forward contamination cover. The purpose of the FCM is to verify the ground-to-orbit transfer of the Chandra flux scale, through comparison of data acquired during the ground calibration with those obtained in orbit, immediately prior to opening the Observatory's sun-shade door. Here we report results of these measurements, which place limits on the change in mirror-detector system response and, hence, on any accumulation of molecular contamination on the mirrors' iridium-coated surfaces.

Elsner, R. E.↗
NASA NTRS2000

Measurements with the Chandra X-ray Observatory's Flight Contamination Monitor

NASA's Chandra X-ray Observatory includes a Flight Contamination Monitor (FCM), a system of 16 radioactive calibration sources mounted to the inside of the Observatory's forward contamination cover. The purpose of the FCM is to verify the ground-to-orbit transfer of the Chandra flux scale, through comparison of data acquired during the ground calibration with those obtained in orbit, immediately prior to opening the Observatory's sun-shade door. Here we report results of these measurements., which place limits on the change in the mirror-detector system response and, hence, on any accumulation of molecular contamination on the mirrors' iridium-coated surfaces between the two sets of measurements.

Elsner, R. F.↗
NASA NTRS2024

Theoretical Prediction of Thermal Expansion Anisotropy for Y 2 Si 2 O 7 Environmental Barrier Coatings Using a Deep Neural Network Potential and Comparison to Experiment

Environmental barrier coatings (EBCs) are an enabling technology for silicon carbide (SiC)-based ceramic matrix composites (CMCs) in extreme environments such as gas turbine engines. However, development of new coating systems is hindered by the large design space and difficulty in predicting properties for these materials. Density Functional Theory (DFT) has successfully been used to model and predict some thermodynamic and thermo-mechanical properties of high-temperature ceramics for EBCs, although these calculations are challenging due to their high computational costs. In this work, we use machine learning to train a deep neural network potential (DNP) for Y 2 Si 2 O 7 , which is then applied to calculate thermodynamic and thermo-mechanical properties at near-DFT accuracy much faster and using less computational resources than DFT. We use this DNP to predict phonon-based thermodynamic properties of Y 2 Si 2 O 7 with good agreement to DFT and experiments. We also utilize the DNP to calculate the anisotropic, lattice direction-dependent coefficients of thermal expansion (CTEs) for Y 2 Si 2 O 7 . Molecular dynamics trajectories using the DNP correctly demonstrate accurate prediction of the anisotropy of the CTE in good agreement with diffraction experiments. In the future, this DNP could be applied to accelerate additional property calculations for Y 2 Si 2 O 7 compared to DFT or experiments.

rare earth silicates↗
NASA NTRSDate not supplied

ICME for NASA Aerospace Applications: Batteries for Electric Aviation

NASA’s approach to computational materials modeling is detailed in the NASA Vision 2040 Roadmap for Multiscale Modeling and Simulation of Materials and Systems. This report is in the spirit of national initiatives such as the Material Genome Initiative (MGI), Integrated Computational Materials Engineering (ICME), and others. We utilize a combination of fundamental modeling, computational high-throughput screening, and data science methods, e.g., machine learning, are used to find innovative solutions to NASA or national technology challenges. Applications of interest are wide ranging from advanced alloys to batteries to coatings, among others. In this talk, we present three examples for recent work related to NASA applications. First, doping advanced sulfur battery cathodes with selenium boosts electrical conductivity important for electric aircraft applications. First principles calculations will be discussed that result in compositional design maps for these materials. Second, development of icephobic coatings is important to mitigate safety hazards associated with icing for aircraft. Molecular dynamics simulations are reported for ice-surface interfaces to understand adhesion mechanisms and help screen optimal ice-phobic coatings. Third, shape memory alloys have numerous applications as actuators, superelastic materials, etc. for aerospace. We report machine learning models that predict martensitic transition temperatures across a broad swath of compositional space.

John Lawson↗
NASA NTRS1994

Growth of thin films of dicyanovinylanisole on quartz and teflon-coated quartz by physical vapor transport

Organic compounds offer the possibility of molecular engineering in order to optimize the nonlinearity and minimize damage due to the high-power lasers used in nonlinear optical devices. Recently dicyanovinylanisole (DIVA), ((2-methoxyphenyl) methylenepropanedinitrile) has been shown to have a second order nonlinearity 40 times that of alpha-quartz. Debe et. al. have shown that a high degree of orientational order exists for thin films of phthalocyanine grown by physical vapor transport in microgravity. The microgravity environment eliminates convective flow and was critical to the formation of highly ordered dense continuous films in these samples. This work seeks to discover the parameters necessary for the production of thin continuous films of high optical quality in Earth gravity. These parameters must be known before the experiment can be planned for growing DIVA in a microgravity environment. The microgravity grown films are expected to be denser and of better optical quality than the unit gravity films as was observed in the phthalocyanine films.

Pearson, Earl F.↗
NASA NTRS1994

Method development for compensating temperature effects in pressure sensitive paint measurements

Pressure sensitive luminescent paints (PSP) have recently emerged as a viable technique for aerodynamic pressure measurements. The technique uses a surface coating which contains probe molecules that luminesce when excited by light of an appropriate wavelength. The photoluminescence of these materials is known to be quenched by the presence of molecular oxygen. Since oxygen is a fixed mole fraction of the air, the coating's luminescence intensity varies inversely with air pressure. Digital imaging of the luminescence varying across a coated surface produces a pressure distribution map over that surface. One difficulty encountered with this technique is the temperature effect on the luminescence intensity. Present PSP formulations have significant sensitivity to temperature. At the moment, the most practical way of correcting for temperature effects is to calibrate the paint in place at the operating temperatures by using a few well-placed pressure taps. This study is looking at development of temperature indicating coatings that can be applied and measured concurrently with PSP, and use the temperature measurement to compute the correct pressure. Two methods for this dual paint formulation are proposed. One method will use a coating that consists of temperature sensitive phosphors in a polymer matrix. This is similar in construction to PSP, except that the probe molecules used are selected primarily for their temperature sensitivity. Both organic phosphors (e.g., europium thenoyltrifluoroacetonate, bioprobes) and inorganic phosphors (e.g., Mg4(F)GeO6:Mn, La2O2S:Eu, Radelin Type phosphors, Sylvania Type phosphors) will be evaluated for their temperature sensing potential. The next method will involve a novel coating composing of five membered heterocyclic conducting polymers which are known to show temperature dependent luminescence (e.g., poly(3-alkylthiopene), poly(3-alkylselenophene), poly(3-alkylfuran)). Both methods will involve applying a bottom layer of temperature sensitive coating followed by a top coating of PSP. An oxygen-impermeable polymer can be used as the temperature sensitive coating matrix, or it can be layered in between the coatings to prevent oxygen quenching of the bottom coating's luminescence. The probe molecules of the coatings will be excited by a broad band of light, with the different emissions detected and measured at their distinct wavelengths. Developmental research of these coatings is still in progress; however, preliminary results look very promising.

Demandante, Carlo Greg N.↗
NASA NTRS2005

Applications of Quantum Chemistry to the Study of Carbon Nanotubes

For several years, scientists at NASA Ames have been studying the properties of carbon nanotubes using various experimental and computational methods. In this talk, I will compare different strategies for using quantum chemistry calculations to describe the electronic structure, deformation and chemical functionalization of single wall carbon nanotubes (SWNT) and the physisorption of small molecules on nanotube surfaces. The SWNT can be treated as an infinite (periodic) or finite length carbon cylinder or as a polycyclic aromatic hydrocarbon (PAH) molecule with an imposed curvature maintained by external constraints (as if it were cut out of the SWNT surface). Calculations are carried out using DFT and MP2 methods and a variety of atomic orbital basis sets from minimal (STO-3G) to valence triple zeta. The optimal approach is based on the particular SWNT property of interest. Examples to be discussed include: nanotube fluorination and other functionalization reactions; coating of nanotubes by water vapor and low-molecular weight organic molecules; and the nature of the interface between SWNT and liquids such as water and amines. In many cases, the quantum chemistry calculations are used to parameterize or validate force fields for molecular dynamics simulations. The results of these calculations have helped explain experimental data and contributed to the design of novel materials and sensors based on carbon nanotubes. Some of this research is described in the following papers:

Jaffe, Richard L.↗
NASA NTRS1992

Phenylated polyimides prepared from 3,6-diarylpyromellitic dianhydride and aromatic diamines

A new class of soluble phenylated polyimides made from 3,6-diarypyromellitic dianhydride and process for the manufacture of the 3,6-diarypyromellitic dianhydride starting material. The polyimides obtained with said dianhydride are readily soluble in appropriate organic solvents and are distinguished by excellent thermal, electrical and/or mechanical properties making the polyimides ideally suited as coating materials for microelectronic apparatii, as membranes for selective molecular separation or permeation or selective gas separation or permeation, or as reinforcing fibers in molecular composites, or as high modulus, high tensile strength fibers.

Harris, Frank W.↗
NASA NTRS1982

Stable polyurethane coatings for electronic circuits. NASA tech briefs, fall 1982, volume 7, no. 1

One of the most severe deficiencies of polyurethanes as engineering materials for electrical applications has been their sensitivity to combined humidity and temperature environments. Gross failure by reversion of urethane connector potting materials has occurred under these conditions. This has resulted in both scrapping of expensive hardware and reduction in reliability in other instances. A basic objective of this study has been to gain a more complete understanding of the mechanisms and interactions of moisture in urethane systems to guide the development of reversion resistant materials for connector potting and conformal coating applications in high humidity environments. Basic polymer studies of molecular weight and distribution, polymer structure, and functionality were carried out to define those areas responsible for hydrolytic instability and to define polymer structural feature conducive to optimum hydrolytic stability.

Source record↗
NASA NTRS1986

Exploiting the Vacuum of Space

Molecular-beam epitaxy and other processes tested with minimal contamination. Vacuum experimental facility for outer space creates vacuums higher than those available in terrestrial vacuum chambers. Facility minimizes contamination of work from walls and allows rapid removal of gases and heat generated by experimental processes. Used for processes such as molecular-beam epitaxy (growing semiconductor superlattices), metal/organic chemical vapor deposition, coating mirrors and other optical components, and ultrapurification.

Naumann, R. J.↗
NASA NTRS1989

Arc jet diagnostics tests

Two objectives were addressed during a 10 week 1988 NASA/ASEE summer faculty fellowship at the Johnson Space Center Atmospheric Reentry Materials Structures Evaluation Facility (ARMSEF). These objectives were the evaluation of mass spectrometry for the measurement of atomic and molecular species in an arc jet environment, and the determination of atomic recombination coefficients for reaction cured glass (RCG) coated high temperature surface insulation (HRSI) materials subjected to simulated reentry conditions. Evaluation of mass spectrometry for the measurement of atomic and molecular species provided some of the first measurements of point compositions in arc jet tunnel environments. A major objective of this project centered around the sampling residence time. A three staged vacuum sampling system pulled the molecules and atoms from the arc jet to a quadrupole ionization mass spectrometer in 400 milliseconds. Conditions investigated included a composition survey across the nozzle exit at 3 cm z-distance from the nozzle exit for 3 different currents. Also, a point composition survey was taken around a shock created by the presence of a blunt body.

Willey, Ronald J.↗
NASA NTRSDate not supplied

Computationally Guided Design of Polymer-Coated Microparticles as Reusable Materials

Long-duration space exploration missions and sustained lunar or Martian surface operations present greater demands for multifunctional and reusable materials. By scaling down the amount of material to be launched from Earth, both mission cost and risk can be reduced. In this regard, leveraging in-space manufacturing capabilities with reusable feedstock materials is an attractive option, as it will allow for articles to be generated on demand, utilized, and then recycled for additional use. NASA’s Enabling Sustained Presence Using Recyclables (ESPUR) project aims to develop reusable materials using polymer-coated microparticles that are bonded via reversible Diels-Alder reactions, where only modest heat is needed to trigger the reverse reaction and enable reuse. For proof-of-concept demonstration, research is currently focused on the fabrication of epoxy microparticles that contain a copoly(carbonate urethane) coating with maleimide and furan functionalities. Here, we discuss the integration of computational materials modeling approaches to help navigate the large design space in this development effort. We perform molecular dynamics (MD) simulations with atomistic and coarse-grained models of the copolymer, which allow us to evaluate the effects of design parameters like the molecular weight and composition on the molecular interactions and chain dynamics. We show how the properties change with the reversible bonds. We also leverage discrete element method (DEM) simulations to assess how microparticle design parameters like the size ratio and volume fraction can be tuned to increase the packing density and number of microparticle contacts to improve the mechanical properties. Our results demonstrate how computational tools can be used in close collaboration with experimental efforts to accelerate material design.

reusable materials↗
NASA NTRS2022

Development of an Effective Finite-rate Oxidation Model for NuSil-coated Charred Carbon Preform Ablators

Recently, a detailed effective finite-rate surface chemistry model was developed for the oxidation of FiberForm [1] using the molecular beam experimental data of Poovathingal et al., [2]. FiberForm is the major building block of the thermal protection system (TPS) material Phenolic Impregnated Carbon Ablator (PICA), commonly used by NASA. The surface chemistry model consists of detailed surface reaction mechanisms such as adsorption, desorption, and several types of Langmuir-Hinshelwood (LH) reactions to characterize the oxygen-carbon interactions at the surface. This model provides excellent agreement with the experimental data for oxidation product compositions and corresponding translational energy distributions. Further, an effective oxidation model was constructed that captures the equivalent interaction of oxygen inside the microstructure (including multiple surface collisions) via a modified reactivity for a smooth wall boundary condition. This enables the use of this model directly into Computational Fluid Dynamics (CFD) codes and Material Response (MR) codes to accurately simulate the gas–surface interactions within FiberForm without using the detailed micro-structure. However, this effective model is valid only for the virgin FiberForm. As the TPS material undergoes ablation, the preform carbon burns and turns into char. In addition, PICA is also coated with a protective silicon coating called NuSil for the purpose of mitigating the spread of phenolic dust, and limit contamination during clean room operations. Fig. 1 shows a X-ray microtomography image of a charred NuSil-coated PICA. The NuSil layer introduces species containing silicon into the product mixture. Further, the reactivity of the carbon within the char layer is different from the virgin FiberForm as shown in Fig. 2. Recently a new set of molecular beam experiments were performed on this NuSil-coated TPS material [3] with the same type of oxygen beam used in the previous experiments. Using the latest experimental data, the previously developed effective model will be extended to account for the charred carbon as well as the NuSil coating. Finally, this new effective model with three phases – preform carbon, char, and NuSil; will be compared and validated against the experimental product compositions.

K Swaminathan Gopalan↗