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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Control of Peptide Amphiphile Supramolecular Nanostructures by Isosteric Replacements

Supramolecular nanostructures with tunable properties can have applications in medicine, pharmacy, and biotechnology. In this work, we show that the self-assembly behavior of peptide amphiphiles (PAs) can be effectively tuned by replacing the carboxylic acids exposed to the aqueous media with isosteres, functionalities that share key physical or chemical properties with another chemical group. Transmission electron microscopy, atomic force microscopy, and small-angle X-ray scattering studies indicated that the nanostructure’s morphologies are responsive to the ionization states of the side chains, which are related to their pK a values. Circular dichroism studies revealed the effect of the isosteres on the internal arrangement of the nanostructures. The interactions between diverse surfaces and the nanostructures and the effect of salt concentration and temperature were assessed to further understand the properties of these self-assembled systems. These results indicate that isosteric replacements allow the pH control of supramolecular morphology by manipulating the pK a of the charged groups located on the nanostructure’s surface. Theoretical studies were performed to understand the morphological transitions that the nanostructures underwent in response to pH changes, suggesting that the transitions result from alterations in the Coulomb forces between PA molecules. Furthermore, this work provides a strategy for designing biomaterials that can maintain or change behaviors based on the pH differences found within cells and tissues.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Synthesis and thermal properties of strontium and calcium peroxides

A practical synthesis and a discussion of some chemical properties of pure strontium peroxide and calcium peroxide are presented. The general synthesis of these peroxides involves precipitation of their octahydrates by addition of H2O2 to aqueous ammoniacal Sr(NO3)2 or CaCl2. The octahydrates are converted to the anhydrous peroxides by various dehydration techniques. A new x-ray diffraction powder pattern for CaO2 x 8H2O is given from which lattice parameters a=6.212830 and c=11.0090 were calculated on the basis of the tetragonal crystal system.

Philipp, Warren H.↗
DOE OSTI2021

Surface Functionalization of Black Phosphorus with Nitrenes: Identification of P=N Bonds by Using Isotopic Labeling

Abstract Surface functionalization of two‐dimensional crystals is a key path to tuning their intrinsic physical and chemical properties. However, synthetic protocols and experimental strategies to directly probe chemical bonding in modified surfaces are scarce. Introduced herein is a mild, surface‐specific protocol for the surface functionalization of few‐layer black phosphorus nanosheets using a family of photolytically generated nitrenes (RN) from the corresponding azides. By embedding spectroscopic tags in the organic backbone, a multitude of characterization techniques are employed to investigate in detail the chemical structure of the modified nanosheets, including vibrational, X‐ray photoelectron, solid state 31 P NMR, and UV‐vis spectroscopy. To directly probe the functional groups introduced on the surface, R fragments were selected such that in conjunction with vibrational spectroscopy, 15 N‐labeling experiments, and DFT methods, diagnostic P=N vibrational modes indicative of iminophosphorane units on the nanosheet surface could be conclusively identified.

Walz Mitra, Kendahl L.↗
DOE OSTI2021

PyKrev: A Python Library for the Analysis of Complex Mixture FT-MS Data

In this study, we present PyKrev, a Python library for the analysis of complex mixture Fourier transform mass spectrometry (FT-MS) data. PyKrev is a comprehensive suite of tools for analysis and visualization of FT-MS data after formula assignment has been performed. These comprise formula manipulation and calculation of chemical properties, intersection analysis between multiple lists of formulas, calculation of chemical diversity, assignment of compound classes to formulas, multivariate analysis, and a variety of visualization tools producing van Krevelen diagrams, class histograms, PCA score, and loading plots, biplots, scree plots, and UpSet plots. The library is showcased through analysis of hot water green tea extracts and Scotch whisky FT-ion cyclotron resonance-MS data sets. PyKrev addresses the lack of a single, cohesive toolset for researchers to perform FT-MS analysis in the Python programming environment encompassing the most recent data analysis techniques used in the field.

47 OTHER INSTRUMENTATION↗
NASA NTRS2005

Water as a matrix for life

Life is based on non-covalent interactions. They might be either specific (enzyme-substrate interactions, selective ion transport) or nonspecific (lipid-lipid and lipid-protein interactions needed for membrane integrity, fusion and division). Their strength needs to be properly tuned, and this is mediated by the solvent. If interactions are too weak, there might be undesired response to natural fluctuations of physical and chemical parameters. If they are too strong it could impede kinetics and energetics of cellular processes. Thus, the solvent must allow for balancing these interactions. Physical and chemical properties of solvent provide strong constraints for life. Water exhibits a remarkable trait that it promotes both solvophobic and solvophilic interactions. Solvophobic interactions; related to high dielectric constant of the solvent) are necessary for self-organization of matter whereas solvophilic interactions are needed to ensure solubility of polar species. Water offers a large temperature domain of stable liquid and the characteristics hydrophobic effects are a consequence of the temperature in sensitivity of essential properties of its liquid state. Water, however, is not the only liquid with these favorable properties. I will compare in detail properties of water and other pure liquids or their mixtures that have a high dielectric constant and simultaneously support self-organization. I will also discuss properties of water that are unfavorable to life (e.g. its chemical activity against polymerization reactions) and close with summarizing what are alternatives to water as a matrix of life in space.

Pohorille, Andrew↗
NASA NTRS2014

Green PCB Remediation from Sediment Systems (GPRSS) Project

An ongoing problem facing the global environment community including NASA centers is the removal and remediation of polychlorinated biphenyls (PCBs). PCBs were commonly used in a variety of materials including paints, caulking, and adhesives due to the advantageous physical and chemical properties that PCBs imparted to these various materials. Unfortunately, these properties have made the treatment of sites contaminated with these chemicals extremely difficult to deal with, due to their inherent chemical stability. The remediation of sediments contaminated with PCBs is especially difficult, primarily due to the risk of releasing the contaminant into the environment during the treatment process. Traditional treatment options involve the use of dredging and incineration of the contaminated soils/sediments, in which the chance of releasing the contaminants is greatly increased. The purpose of this project is to develop cleanup technology capable of remediating contaminated sediments in-situ, with minimum intrusion. This allows for the minimization of any potential contaminant release during the treatment process, providing a safer method for cleanup operations (as opposed to dredging/incineration) and still treating the basic problem of PCB contamination (as opposed to capping).

System↗
DOE OSTI2025

Amorphous boron nitride: synthesis, properties and device application

Amorphous boron nitride (a-BN) exhibits remarkable electrical, optical, and chemical properties, alongside robust mechanical stability, making it a compelling material for advanced applications in nanoelectronics and photonics. This review comprehensively examines the unique characteristics of a-BN, emphasizing its electrical and optical attributes, state-of-the-art synthesis techniques, and device applications. Key advancements in low-temperature growth methods for a-BN are highlighted, offering insights into their potential for integration into scalable, CMOS-compatible platforms. Additionally, the review discusses the emerging role of a-BN as a dielectric material in electronic and photonic devices, serving as substrates, encapsulation layers, and gate insulators. Finally, perspectives on future challenges, including defect control, interface engineering, and scalability, are presented, providing a roadmap for realizing the full potential of a-BN in next-generation device technologies.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Fuels research: Combustion effects overview

The effects of broadened property fuels on gas turbine combustors were assessed. Those physical and chemical properties of fuels that affect aviation gas turbine combustion were isolated and identified. Combustion sensitivity to variations in particular fuel properties were determined. Advanced combustion concepts and subcomponents that could lessen the effect of using broadened property fuels were also identified.

Haggard, J. B., Jr.↗
NASA NTRS1993

A comparison of calculated and measured rheological properties of crystallising lavas in the field and in the laboratory

Models of most magmatic processes, including realistic models of planetary lava flows require accurate data on the rheological properties of magma. Previous studies suggest that field and laboratory rheological properties of Hawaiian lavas can be calculated from their physico-chemical properties using a non-Newtonian rheology model. The present study uses new measurements of the rheological properties of crystallizing lavas to show that this is also true for lavas from Mount Etna. Rheological measurements on quenched Etna basalts were made in a specially designed furnace using a Haake Rotovisco viscometer attached to a spindle which has been designed to eliminate slippage at the melt-spindle interface. Using this spindle, we have made measurements at lower temperatures than other workers in this field. From these measurements, Mount Etna lavas are Newtonian at temperatures above 1120 C and they are thixotropic pseudoplastic fluids with a yield strength at lower temperatures. The close agreement between calculated and measured rheology over the temperature range 1084 - 1125 C support the use of the non-Newtonian rheology model in future modeling of planetary lava flows.

Pinkerton, Harry↗
NASA NTRS2016

Organic Analysis in the Miller Range 090657 CR2 Chondrite: Part 3 C and N Isotopic Imaging

Primitive carbonaceous chondrites contain a wide variety of organic material, ranging from soluble discrete molecules to insoluble nanoglobules of macro-molecular carbon. The relationship between the soluble organic molecules, macromolecular organic material, and host minerals are poorly understood. Large H, C and N isotopic anomalies suggest some organic components formed in low-T interstellar or outer Solar System environments. The highest isotope anomalies occur in m-scale inclusions in the most primitive materials, such as cometary dust and the least altered carbonaceous chondrites. Often, the hosts of these isotopically anomalous 'hotspots' are discrete organic nanoglobules that probably formed in the outermost reaches of the protosolar disk or cold molecular cloud. Molecular and isotopic studies of meteoritic organic matter are aimed at identifying the chemical properties and formation processes of interstellar organic materials and the subsequent chemical evolutionary pathways in various Solar System environments. The combination of soluble and insoluble analyses with in situ and bulk studies provides powerful constraints on the origin and evolution of organic matter in the Solar System. Using macroscale extraction and analysis techniques as well as microscale in situ observations we have been studying both insoluble and soluble organic material in primitive astromaterial samples. Here, we present results of bulk C and N isotopic measurements and coordinated in situ C and N isotopic imaging and mineralogical and textural studies of carbonaceous materials in a Cr2 carbonaceous chondrite. In accompanying abstracts we discuss the morphology and distribution of carbonaceous components and soluble organic species of this meteorite.

Messenger, S.↗
NASA NTRS1996

Evolutionary status of the pre-protostellar core L1498

L1498 is a classic example of a dense cold pre-protostellar core. To study the evolutionary status, the structure, dynamics, and chemical properties of this core we have obtained high spatial and high spectral resolution observations of molecules tracing densities of 10(3)-10(5) cm-3. We observed CCS, NH3, C3H2, and HC7N with NASA's DSN 70 m antennas. We also present large-scale maps of C18O and 13CO observed with the AT&T 7 m antenna. For the high spatial resolution maps of selected regions within the core we used the VLA for CCS at 22 GHz, and the Owens Valley Radio Observatory (OVRO) MMA for CCS at 94 GHz and CS (2-1). The 22 GHz CCS emission marks a high-density [n(H2) > 10(4) cm -3] core, which is elongated with a major axis along the SE-NW direction. NH3 and C3H2 emissions are located inside the boundary of the CCS emission. C18O emission traces a lower density gas extending beyond the CCS boundary. Along the major axis of the dense core, CCS, NH3 and C3H2 emission show evidence of limb brightening. The observations are consistent with a chemically differentiated onion-shell structure for the L1498 core, with NH3 in the inner and CCS in the outer parts of the core. The high angular resolution (9"-12") spectral line maps obtained by combining NASA Goldstone 70 m and VLA data resolve the CCS 22 GHz emission in the southeast and northwest boundaries into arclike enhancements, supporting the picture that CCS emission originates in a shell outside the NH3 emitting region. Interferometric maps of CCS at 94 GHz and CS at 98 GHz show that their emitting regions contain several small-scale dense condensations. We suggest that the differences between the CCS, CS, C3H2, and NH3 emission are caused by a time-dependent effect as the core evolves slowly. We interpret the chemical and physical properties of L1498 in terms of a quasi-static (or slowly contracting) dense core in which the outer envelope is still growing. The growth rate of the core is determined by the density increase in the CCS shell resulting from the accretion of the outer low-density gas traced by C18O. We conclude that L1498 could become unstable to rapid collapse to form a protostar in less than 5 x 10(6) yr.

NASA Discipline Exobiology↗
NASA NTRS2015

Synthesis and Modification of Holey Graphene for Energy Storage

Porous graphene materials have recently drawn significant interest for energy storage applications due to the effective use of the graphitic surface area provided by the pores. Holey graphene is a type of porous graphene with pores in the form of physical through thickness holes. This type of porous graphene provides a unique morphology that allows for effective transport of molecular species through the graphene plane. Therefore, as we recently demonstrated, holey graphene could be advantageous in the preparation of electrodes in supercapacitors with high volumetric performance.1 We have developed methodologies to scalably prepare holey graphene materials with or without the use of catalysts (Figure 1).1,2 In this presentation, we will discuss the choice of synthetic strategies and experimental conditions on the morphology and physical properties of holey graphene (Figure 2) and the effect on their electrochemical properties. We will also present the results on the further modification of holey graphene to study their physical and chemical properties, especially with regard to the stability and chemical reactivity of carbons located around the edges of the holes.

Lin, Yi↗
NASA NTRS2011

Qualification Status of Non-Asbestos Internal Insulation in the Reusable Solid Rocket Motor Program

This paper provides a status of the qualification efforts associated with NASA's RSRMV non-asbestos internal insulation program. For many years, NASA has been actively engaged in removal of asbestos from the shuttle RSRM motors due to occupation health concerns where technicians are working with an EPA banned material. Careful laboratory and subscale testing has lead to the downselect of a organic fiber known as Polybenzimidazol to replace the asbestos fiber filler in the existing synthetic rubber copolymer Nitrile Butadiene - now named PBI/NBR. Manufacturing, processing, and layup of the new material has been a challenge due to the differences in the baseline shuttle RSRM internal insulator properties and PBI/NBR material properties. For this study, data gathering and reduction procedures for thermal and chemical property characterization for the new candidate material are discussed. Difficulties with test procedures, implementation of properties into the Charring Material Ablator (CMA) codes, and results correlation with static motor fire data are provided. After two successful five segment motor firings using the PBI/NBR insulator, performance results for the new material look good and the material should eventually be qualified for man rated use in large solid rocket motor applications.

Clayton, Louie↗
DOE OSTI2022

Quantifying Chemical and Kinematical Properties of Galactic Disks

We aim to quantify the chemical and kinematical properties of Galactic disks with a sample of 119,558 giant stars having abundances and 3D velocities taken or derived from the APOGEE DR17 and Gaia EDR3 catalogs. A Gaussian mixture model is employed to distinguish the high-α and low-α sequences along the metallicity by simultaneously using chemical and kinematical data. Four disk components are identified and quantified; they are named the hαmp, hαmr, lαmp, and lαmr disks and correspond to the high-α or low-α, and metal-poor or metal-rich properties. Combined with the spatial and stellar-age information, we confirm that they are well interpreted by the two-infall formation model. The first infall of turbulent gas quickly forms the hot and thick hαmp disk with consequent thinner hαmr and lαmr disks. Then the second gas accretion forms a thinner and outermost lαmp disk. We find that the inside-out and upside-down scenario does not only satisfy the overall Galactic disk formation of these two major episodes but is also presented in the formation sequence of the three inner disks. Importantly, we reveal the inverse age–[M/H] trend of the lαmr disk, which means its younger stars are more metal-poor, indicating that the rejuvenated gas from the second accretion gradually dominates later star formation. Meanwhile, the recently formed stars converge to [M/H] ~ –0.1 dex, demonstrating a sufficient mixture of gas from two infalls.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Post-irradiation Examination Status for the BSU-269 Project

High-density uranium inter-metallic uranium silicide (U 3 Si 2 ) was initially considered as a potential advanced nuclear fuel for light water reactor (LWR) systems due to several advantages it demonstrated in thermophysical properties, chemical, and irradiation stability. In addition to understanding the basic thermophysical and mechanical properties of U 3 Si 2 under LWR irradiation conditions, it is important to assess its performance with advanced claddings such as FeCrAl, SiC, or conventional Zr-based claddings. Several aspects of the fuel cycle and fuel performance are being evaluated for U 3 Si 2 coupled with different types of claddings. To thoroughly characterize the U 3 Si 2 -cladding system, their chemical compatibilities and the potential for fuel-cladding chemical interaction (FCCI) must be addressed. Interdiffusion studies have been performed between U 3 Si 2 /Zry-4 and U 3 Si 2 /FeCrAl using diffusion couples. For the U 3 Si 2 /Zry-4 system, ZrSi 2 was the primary interdiffusion product observed at 800°C in addition to other secondary phases from the Zr alloying elements such as Fe and Cr. Low melting point U 6 Fe was also observed at 1000°C. For the U 3 Si 2 /FeCrAl system, at temperatures above 500°C, chemical diffusion Fe-U and Fe-U-Si was observed, increasing with rising temperatures. Although information from these non-irradiated tests is a fundamental first assessment, follow-up with focused irradiation tests is necessary. Irradiation can significantly alter the structure and evolution of the FCCI layers compared to the non-irradiated conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

X-ray Spectroscopy Characterization of Electronic Structure and Metal–Metal Bonding in Dicobalt Complexes

Developing multimetallic complexes with tunable metal–metal interactions has long been a target of synthetic inorganic chemistry efforts due to the unique properties that such compounds can exhibit. However, understanding relationships between metal–metal bonding and chemical properties is challenging due to system-dependent factors that influence metal–metal and metal–ligand interactions, including ligand identity, coordination geometry, and metal–metal distance. In this work, we apply X-ray absorption and emission spectroscopy and quantum chemical calculations to describe electronic structure and bonding in a series of dicobalt complexes. The compounds with silane ligands and pseudo-octahedral coordination geometry exhibit Co–Co σ and multicentered bonding character, which we characterize from both the occupied and vacant perspectives via their contributions to the Co X-ray emission and absorption spectra, respectively. In contrast, the dicobalt complexes with a pseudotetrahedral coordination environment do not exhibit Co–Co bonding due to symmetry constraints on orbital overlap. We extend these insights to the theoretical evaluation of related dicobalt complexes to explain how ligand coordination and symmetry dictate the presence or absence of a Co–Co bond. In conclusion, this work highlights how fundamental insights into electronic structure and bonding through X-ray spectroscopy uncover important factors governing metal–metal interactions and guide the rational design of multimetallic complexes with tunable metal–metal bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Atmospheric aerosol measurement problems

The present knowledge of the atmospheric aerosols is summarized briefly with respect to geographical distribution, time variations, optical properties, chemical nature, and natural and artificial sources. The measurement techniques for determining aerosol properties are summarized with the limitations and results from each. The problems resulting from variations in refractive index, shape, composition, volatile constituents, relative humidity and time from collection until measurement are described. Needed measurements on atmospheric aerosols are outlined with some of the latest methods for obtaining them, including the needs and goals of some world-wide programs.

Harris, F. S., Jr.↗
NASA NTRS1998

Computational Chemistry and Lubrication

Members of NASA Lewis Research Center's Tribology and Surface Science Branch are applying high-level computational chemistry techniques to the development of new lubrication systems for space applications and for future advanced aircraft engines. The next generation of gas turbine engines will require a liquid lubricant to function at temperatures in excess of 350 C in oxidizing environments. Conventional hydrocarbon-based lubricants are incapable of operating in these extreme environments, but a class of compounds known as the perfluoropolyether (PFAE) liquids (see the preceding illustration) shows promise for such applications. These commercially available products are already being used as lubricants in conditions where low vapor pressure and chemical stability are crucial, such as in satellite bearings and composite disk platters. At higher temperatures, however, these compounds undergo a decomposition process that is assisted (catalyzed) by metal and metal oxide bearing surfaces. This decomposition process severely limits the applicability of PFAE's at higher temperatures. A great deal of laboratory experimentation has revealed that the extent of fluid degradation depends on the chemical properties of the bearing surface materials. Lubrication engineers would like to understand the chemical breakdown mechanism to design a less vulnerable PFAE or to develop a chemical additive to block this degradation.

Zehe, Michael J.↗