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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Formation of Insoluble Organic Material from the Ultraviolet Irradiation of Laboratory Ice Photolysis Residues

We present preliminary results from the study of ice photolysis residues which were exposed to ultraviolet (UV)/extreme UV (EUV) photon radiation. The residues were produced from the simultaneous deposition and UV irradiation of ice mixtures of astrophysical interest (H2O, CH3OH, CO, NH3, without/with N2 and/or O2, and without/with small quantities of aromatic compounds) at 15–20 K using an H2 lamp, which emits 10.2-eV (121.6 nm) Lyman-α photons and a continuum at 7.5–8 eV (155–165 nm). After warm-up to room temperature and subsequent sublimation of volatile compounds, the refractory materials (residues) recovered at room temperature were analyzed with infrared (IR) microscopy and then further irradiated with UV/EUV photons at a synchrotron facility, on a beamline providing a broad-band photon beam in the 4–45-eV range with a ~1016 photons s-1 flux.2 The residues were UV/EUV irradiated with increasing photon doses ranging from ~1018 to ~1021 photons, i.e., covering 4 orders of magnitude and relevant to those experienced by ice-coated grains in the protosolar nebula.1. After UV/EUV irradiation, residues were analyzed with IR microscopy and the data compared to those before irradiation to identify changes in chemical composition as a function of the photon dose. UV/EUV-irradiated residues were also analyzed with other techniques such as nanoscale secondary-ion mass spectrometry (nanoSIMS) to the study the changes in isotopic composition, and scanning transmission electron microscopy to look at variations in structure and C bonding distribution. Results will be compared with data from extraterrestrial materials, in particular, meteoritic insoluble organic material (IOM) and interplanetary dust particles (IDPs).

Ices↗
DOE OSTI2023

Atomistic‐Level Effects of Noncovalent Interactions and Crystalline Packing for Organic Material Structural Integrity upon Exposure to Gamma Radiation

Developing an atomistic understanding of ionizing radiation induced changes to organic materials is necessary for intentional design of greener and more sustainable materials for radiation shielding and detection. Cocrystals are promising for these purposes, but a detailed understanding of how the specific intermolecular interactions within the lattice upon exposure to radiation affect the structural stability of the organic crystalline material is unknown. This study evaluates atomistic-level effects of γ radiation on both single- and multicomponent organic crystalline materials and how specific noncovalent interactions and packing within the crystalline lattice enhance structural stability. Dose studies were performed on all crystalline systems and evaluated via experimental and computational methods. Changes in crystallinity were evaluated by p-XRD and free radical formation was analyzed via EPR spectroscopy. Type of intermolecular interactions and packing within the crystal lattice was delineated and related to the specific free radical species formed and the structural integrity of each material. Periodic DFT and HOMO-LUMO surface mapping calculations provided atomistic-level identifications of the most probable sites for the radicals formed upon exposure to γ radiation and relate intermolecular interactions and molecular packing within the crystalline lattice to experimental results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

The Impact and Oxidation Survival of Selected Meteoritic Compounds: Signatures of Asteroid Organic Material on Planetary Surfaces

Polar, non-volatile organic compounds may be present on the surfaces (or near surfaces) of multiple Solar System bodies. If found, by current or future missions, it would be desirable to determine the origin(s) of such compounds, e.g., asteroidal or in situ. To test the possible survival of meteoritic compounds both during impacts with planetary surfaces and under subsequent (possibly) harsh ambient conditions, we subjected known meteoritic compounds to relatively high impact-shock pressures and/or to varying oxidizing/corrosive conditions. Tested compounds include sulfonic and phosphonic acids (S&P), polyaromatic hydrocarbons (PAHs) amino acids, keto acids, dicarboxylic acids, deoxy sugar acids, and hydroxy tricarboxylic acids (Table 1). Meteoritic sulfonic acids were found to be relatively abundant in the Murchison meteorite and to possess unusual S-33 isotope anomalies (non mass-dependent isotope fractionations). Combined with distinctive C-S and C-P bonds, the S&P are potential signatures of asteroidal organic material.

Cooper, George↗
NASA NTRS1993

First discovery of the organic materials in deep-sea iron cosmic spherule

The dust impact mass analyzer (PUMA) carried by the spacecraft Vega 1, Vega 2 and Giotto has provided the first direct measurements of the physical and chemical properties of cometary dust. The results indicate that most of the cometary dust particles are rich in light elements such as H, C, N, and O, suggesting the validity of models that describe the cometary dust as including organic material. Up to now, there were none found with the organic material from the deep-sea cosmic spherules. We have determined this from the deep-sea iron cosmic spherules collected from the North Pacific. An iron cosmic spherule (382 microns in diameter) was determined by the Laser Raman Microprobe.

Hanchang, Peng↗
NASA NTRS2001

Organic Materials Ionizing Radiation Susceptibility for the Outer Planet/Solar Probe Radioisotope Power Source

The Department of Energy is considering the current Stirling Technology Corporation 55 We Stirling Technology Demonstration Convertor as a baseline option for an advanced radioisotope power source for the Outer Planets/Solar Probe project of Jet Propulsion Laboratory and other missions. However, since the Technology Demonstration Convertor contains organic materials chosen without any special consideration of flight readiness, and without any consideration of the extremely high radiation environment of Europa, a preliminary investigation was performed to address the radiation susceptibility of the current organic materials used in the Technology Demonstration Convertor. This report documents the results of the investigation. The results of the investigation show that candidate replacement materials have been identified to be acceptable in the harsh Europa radiation environment.

Golliher, Eric L.↗
NASA NTRS1993

Prediction of nonlinear optical properties of organic materials. General theoretical considerations

The prediction of nonlinear optical properties of organic materials is geared to assist materials scientists in the selection of good candidate molecules. A brief summary of the quantum mechanical methods used for estimating hyperpolarizabilities will be presented. The advantages and limitations of each technique will be discussed. Particular attention will be given to the finite-field method for calculating first and second order hyperpolarizabilities, since this method is better suited for large molecules. Corrections for dynamic fields and bulk effects will be discussed in detail, focusing on solvent effects, conformational isomerization, core effects, dispersion, and hydrogen bonding. Several results will be compared with data obtained from third-harmonic-generation (THG) and dc-induced second harmonic generation (EFISH) measurements. These comparisons will demonstrate the qualitative ability of the method to predict the relative strengths of hyperpolarizabilities of a class of compounds. The future application of molecular mechanics, as well as other techniques, in the study of bulk properties and solid state defects will be addressed. The relationship between large values for nonlinear optical properties and large conjugation lengths is well known, and is particularly important for third-order processes. For this reason, the materials with the largest observed nonresonant third-order properties are conjugated polymers. An example of this type of polymer is polydiacetylene. One of the problems in dealing with polydiacetylene is that substituents which may enhance its nonlinear properties may ultimately prevent it from polymerizing. A model which attempts to predict the likelihood of solid-state polymerization is considered, along with the implications of the assumptions that are used. Calculations of the third-order optical properties and their relationship to first-order properties and energy gaps will be discussed. The relationship between monomeric and polymeric third-order optical properties will also be considered.

Cardelino, B.↗
NASA NTRS2017

Screening of High Temperature Organic Materials for Future Stirling Convertors

Along with major advancement of Stirling-based convertors, high temperature organics are needed to develop future higher temperature convertors for much improved efficiencies as well as to improve the margin of reliability for the current SOA (State-of-the-Art) convertors. The higher temperature capabilities would improve robustness of the convertors and also allow them to be used in additional missions, particularly ones that require a Venus flyby for a gravity assist. Various organic materials have been employed as essential components in the convertor for their unique properties and functions such as bonding, potting, sealing, thread locking, insulation, and lubrication. The Stirling convertor radioisotope generators have been developed for potential future space applications including Lunar/Mars surface power or a variety of spacecraft and vehicles, especially with a long mission cycle, sometimes up to 17 years, such as deep space exploration. Thus, performance, durability, and reliability of the organics should be critically evaluated in terms of every possible material structure-process-service environment relations based on the potential mission specifications. The initial efforts in screening the high temperature candidates focused on the most susceptible organics, such as adhesive, potting compound, O-ring, shrink tubing, and thread locker materials in conjunction with commercially available materials. More systematic and practical test methodologies that were developed and optimized based on the extensive organic evaluations and validations performed for various Stirling convertor types were employed to determine thermal stability, outgassing, and material compatibility of the selected organic candidates against their functional requirements. Processing and fabrication conditions and procedures were also optimized. This report presents results of the three-step candidate evaluation processes, their application limitations, and the final selection recommendations.

Screening↗
DOE OSTI2021

From n- to p-type material: Effect of Metal Ion on Charge Transport in Metal-Organic Materials

An intriguing new class of two-dimensional (2D) materials based on metal–organic frameworks (MOFs) has recently been developed that displays electrical conductivity, a rarity among these nanoporous materials. The emergence of conducting MOFs raises questions about their fundamental electronic properties, but few studies exist in this regard. Here, we present an integrated theory and experimental investigation to probe the effects of metal substitution on the charge transport properties of M-HITP, where M = Ni or Pt and HITP = 2,3,6,7,10,11-hexaiminotriphenylene. The results show that the identity of the M-HITP majority charge carrier can be changed without intentional introduction of electronically active dopants. We observe that the selection of the metal ion substantially affects charge transport. Using the known structure, Ni-HITP, we synthesized a new amorphous material, a-Pt-HITP, which although amorphous is nevertheless found to be porous upon desolvation. Importantly, this new material exhibits p-type charge transport behavior, unlike Ni-HITP, which displays n-type charge transport. These results demonstrate that both p- and n-type materials can be achieved within the same MOF topology through appropriate choice of the metal ion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Selection of High Temperature Organic Materials for Future Stirling Convertors

In the future higher temperature Stirling convertors for improved efficiency and performance, various high temperature organic materials have been demanded as essential components for their unique properties and functions such as bonding, potting, sealing, thread locking, insulation, and lubrication. The higher temperature capabilities would also allow current state-of-the-art (SOA) convertors to be used in additional missions, particularly those that require a Venus flyby for a gravity assist. Stirling convertor radioisotope generators have been developed for potential future space applications including Lunar/Mars surface power or a variety of spacecraft and vehicles, especially with a long mission cycle, sometimes up to 17 years, such as deep space exploration. Thus, performance, durability, and reliability of the organics should be critically evaluated in terms of comprehensive structure-process-service environment relations based on the potential mission specifications. The initial efforts in screening the high temperature candidates focused on the most susceptible organics, such as adhesive, potting compound, o-ring, shrink tubing, and thread locker materials in conjunction with commercially available materials. More systematic and practical test methodologies that were developed and optimized based on the extensive organic evaluations and validations performed for various Stirling convertor types were employed to determine thermal stability, outgassing, and material compatibility of the selected organic candidates against their functional requirements. Processing and fabrication conditions and procedures were also optimized. This paper presents results of the three-step candidate evaluation processes, their application limitations, and the final selection recommendations.

Organics↗
NASA NTRS1985

Synthetic Organic Materials in Nuclear Powerplants

Report aids plant designers and qualification engineers in ensuring that organic materials in nuclear powerplants will perform satisfactorily in such safety-related equipment as insulation on motor windings, pump diaphragms, motor and pump lubricants, and pump seals and gaskets. Report provides information for service that may include both mild and harsh nuclear environments.

Bouquet, F. L.↗
NASA NTRS1991

Growth of bulk single crystals of organic materials for nonlinear optical devices - An overview

Highly perfect single crystals of nonlinear optical organic materials are required for use in optical devices. An overview of the bulk crystal growth of these materials by melt, vapor, and solution processes is presented. Additionally, methods that may be used to purify starting materials, detect impurities at low levels, screen materials for crystal growth, and process grown crystals are discussed.

Penn, Benjamin G.↗
NASA NTRS1993

Organic Materials For Optical Switching

Equations predict properties of candidate materials. Report presents results of theoretical study of nonlinear optical properties of organic materials. Such materials used in optical switching devices for computers and telecommunications, replacing electronic switches. Optical switching potentially offers extremely high information throughout in compact hardware.

Cardelino, Beatriz H.↗
NASA NTRS2016

Conversion and Extraction of Insoluble Organic Materials in Meteorites

We endeavor to develop and implement methods in our laboratory to convert and extract insoluble organic materials (IOM) from low car-bon bearing meteorites (such as ordinary chondrites) and Precambrian terrestrial rocks for the purpose of determining IOM structure and prebiotic chemistries preserved in these types of samples. The general scheme of converting and extracting IOM in samples is summarized in Figure 1. First, powdered samples are solvent extracted in a micro-Soxhlet apparatus multiple times using solvents ranging from non-polar to polar (hexane - non-polar, dichloromethane - non-polar to polar, methanol - polar protic, and acetonitrile - polar aprotic). Second, solid residue from solvent extractions is processed using strong acids, hydrochloric and hydrofluoric, to dissolve minerals and isolate IOM. Third, the isolated IOM is subjected to both thermal (pyrolysis) and chemical (oxidation) degradation to release compounds from the macromolecular material. Finally, products from oxidation and pyrolysis are analyzed by gas chromatography - mass spectrometry (GCMS). We are working toward an integrated method and analysis scheme that will allow us to determine prebiotic chemistries in ordinary chondrites and Precambrian terrestrial rocks. Powerful techniques that we are including are stepwise, flash, and gradual pyrolysis and ruthenium tetroxide oxidation. More details of the integrated scheme will be presented.

Locke, Darren R.↗
DOE OSTI2020

GIWAXS-SIIRkit: scattering intensity, indexing and refraction calculation toolkit for grazing-incidence wide-angle X-ray scattering of organic materials

Grazing-incidence wide-angle X-ray scattering (GIWAXS) has become an increasingly popular technique for quantitative structural characterization and comparison of thin films. For this purpose, accurate intensity normalization and peak position determination are crucial. At present, few tools exist to estimate the uncertainties of these measurements. Here, a simulation package is introduced called GIWAXS-SIIRkit , where SIIR stands for scattering intensity, indexing and refraction. Furthermore, the package contains several tools that are freely available for download and can be executed in MATLAB. The package includes three functionalities: estimation of the relative scattering intensity and the corresponding uncertainty based on experimental setup and sample dimensions; extraction and indexing of peak positions to approximate the crystal structure of organic materials starting from calibrated GIWAXS patterns; and analysis of the effects of refraction on peak positions. Additionally, each tool is based on a graphical user interface and designed to have a short learning curve. A user guide is provided with detailed usage instruction, tips for adding functionality and customization, and exemplary files.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Studies of volatiles and organic materials in early terrestrial and present-day outer solar system environments

A review and partial summary of projects within several areas of research generally involving the origin, distribution, chemistry, and spectral/dielectric properties of volatiles and organic materials in the outer solar system and early terrestrial environments are presented. The major topics covered include: (1) impact delivery of volatiles and organic compounds to the early terrestrial planets; (2) optical constants measurements; (3) spectral classification, chemical processes, and distribution of materials; and (4) radar properties of ice, hydrocarbons, and organic heteropolymers.

Sagan, Carl↗
DOE OSTI2022

Optimal high-throughput virtual screening pipeline for efficient selection of redox-active organic materials

As global interest in renewable energy continues to increase, there has been a pressing need for developing novel energy storage devices based on organic electrode materials that can overcome the shortcomings of the current lithium-ion batteries. One critical challenge for this quest is to find materials whose redox potential (RP) meets specific design targets. In this study, we propose a computational framework for addressing this challenge through the effective design and optimal operation of a high-throughput virtual screening (HTVS) pipeline that enables rapid screening of organic materials that satisfy the desired criteria. Starting from a high-fidelity model for estimating the RP of a given material, we show how a set of surrogate models with different accuracy and complexity may be designed to construct a highly accurate and efficient HTVS pipeline. We demonstrate that the proposed HTVS pipeline construction and operation strategies substantially enhance the overall screening throughput.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Terrestrial bitumen analogue of orgueil organic material demonstrates high sensitivity to usual HF-HCl treatment

The relationship between the chemical composition and the interlayer spacing (d002) of organic materials (OM's) is known for various terrestrial OM's. We improved this general trend by correlation with corresponding trend of natural solid bitumens (asphaltite-kerite-anthraxolite) up to graphite. Using the improved trend we identified bitumen analogs of carbonaceous chondrite OM's residued after HF-HCl treatment. Our laboratory experiment revealed that these analogs and, hence, structure and chemical composition of carbonaceous chondrite OM's are very sensitive to the HF-HCl treatment. So, usual extraction of OM from carbonaceous chondrites may change significantly structural and chemical composition of extracted OM.

Korochantsev, A. V.↗