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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Computer simulation of thin film nucleation and growth

Some of the processes involved in thin film nucleation and growth were simulated by means of a digital computer. The main conclusions drawn from the simulation results are (1) Because of the random nature of the processes involved, a large variation in results is obtained. (2) Upon impingement, clusters are formed up to a coverage of ca. 0.2, and from there on growth of existing clusters, rather than formation of new ones, takes place. (3) Surface migration is responsible for the formation of most of the clusters at coverages smaller than 0.1, whereas at higher coverages most clusters are formed upon impingement. (4) Surface migration accelerates the growth and causes reduction in cluster density. (5) Reevaporation slows the growth and reduces the cluster density dramatically.

Salik, J.↗
NASA NTRS1994

Development studies of Aurelia (jellyfish) ephyrae which developed during the SLS-1 mission

Aurelia polyps (scyphistomae) and ephyrae were exposed to microgravity for nine days aboard the space shuttle during the SLS-1 mission. During strobilation, polyps segment transversely and each segment develops into an ephyra. Polyps were induced to strobilate at 28 C, using iodine or thyroxine, at L(Launch)-48h, L-24h, and L+8h. Ephyrae developed in the groups tested in space and on Earth. The number of ephyrae formed per polyp was slightly higher in the L+8h groups as compared with those induced at L-24h and L-48h. On Earth, iodine is used by jellyfish to synthesize jellyfish-thyroxine (Jf T(sub 4)), needed for ephyra production. Since iodine-treated polyps strobilated and formed ephyrae in space, it appears that jellyfish can synthesize Jf-T(sub 4) in space. Indeed, two groups of polyps not given inducer formed ephryae in space, presumably due to enhanced Jf-T(sub 4) synthesis, utilization or accumulation. Some ephyrae that formed in space were also fixed in space on Mission Day (MD) 8; others were fixed post-flight. Examination of living ephyrae with the light microscope and fixed ones with the Scanning and Transmission Electron Microscopes revealed that those which developed in space were morphologically very similar to those which developed on Earth. Quantitation of arm numbers determined that there were no significant differences between space and Earth-developed ephyrae. Pulsing abnormalities, however, were found in greater number (18.3%) in space-developed ephyrae than in Earth-developed controls (2.9%). These abnormalities suggest abnormal development of the graviceptors, the neuromuscular system, or a defect in the integration between these systems in apparently microgravity-sensitive animals.

Spangenberg, D. B.↗
NASA NTRS1989

Degradation and crosslinking of perfluoroalkyl polyethers under X-ray irradiation in ultrahigh vacuum

Degradation of three types of commercially available perfluoroalkyl polyethers (PFPE)-Demnum S200, Fomblin Z25, and Krytox 16256-by X-ray irradiation was studied by using X-ray photoemission spectroscopy (XPS) and a mass spectrometer under ultra-high-vacuum conditions. The carbons in the polymers were characterized by chemical shifts of Cls binding energies. Gaseous products containing COF2 and low-molecular-weight fluorocarbons were formed. From Fomblin Z25, which has acetal linkages (-OCF2O-), a large quantity of COF2 gas was evolved. Liquid products became tacky after a long irradiation time, and some did not dissolve in Freon. High-pressure liquid chromatography (HPLC) showed that molecular weight distribution became broader and that higher molecular weight polymers were formed from Demnum and Krytox. We concluded from these results that degradation and cross-linking took place simultaneously. Demnum crosslinked more easily than the other fluids. The time dependence of both XPS spectra of Cls and mass spectra showed that C-O-bonded carbons in PFPE'S were removed faster than other carbons. There was no substrate effect on the degradation reaction because the first-order rate constants calculated from the change of gaseous products were similar when stainless steel (440C) and gold-coated surfaces were used. Metal fluorides were formed on stainless steel during the reaction. A mechanism for the degradation of PFPE'S is discussed on the basis of their molecular structures.

Mori, Shigeyuki↗
DOE OSTI2021

Galaxy zoo: stronger bars facilitate quenching in star-forming galaxies

ABSTRACT We have used Galaxy Zoo DECaLS (GZD) to study strong and weak bars in disc galaxies. Out of the 314 000 galaxies in GZD, we created a volume-limited sample (0.01 < z < 0.05, Mr < − 18.96) which contains 1867 galaxies with reliable volunteer bar classifications in the ALFALFA footprint. In keeping with previous Galaxy Zoo surveys (such as GZ2), the morphological classifications from GZD agree well with previous morphological surveys. GZD considers galaxies to either have a strong bar (15.5 per cent), a weak bar (28.1 per cent) or no bar (56.4 per cent), based on volunteer classifications on images obtained from the DECaLS survey. This places GZD in a unique position to assess differences between strong and weak bars. We find that the strong bar fraction is typically higher in quiescent galaxies than in star-forming galaxies, while the weak bar fraction is similar. Moreover, we have found that strong bars facilitate the quenching process in star-forming galaxies, finding higher fibre star formation rates (SFRs), lower gas masses, and shorter depletion time-scales in these galaxies compared to unbarred galaxies. However, we also found that any differences between strong and weak bars disappear when controlling for bar length. Based on this, we conclude that weak and strong bars are not fundamentally different phenomena. Instead, we propose that there is a continuum of bar types, which varies from ‘weakest’ to ‘strongest’.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1986

A study of the microstructure of a rapidly solidified nickel-base superalloy modified with boron

The microstructures of melt-spun superalloy ribbons with variable boron levels have been studied by transmission electron microscopy. The base alloy was of approximate composition Ni-11% Cr-5%Mo-5%Al-4%Ti with boron levels of 0.06, 0.12, and 0.60 percent (all by weight). Thirty micron thick ribbons display an equiaxed chill zone near the wheel contact side which develops into primary dendrite arms in the ribbon center. Secondary dendrite arms are observed near the ribbon free surface. In the higher boron bearing alloys, boride precipitates are observed along grain boundaries. A concerted effort has been made to elucidate true grain shapes by the use of bright field/dark field microscopy. In the low boron alloy, grain shapes are often convex, and grain faces are flat. Boundary faces frequently have large curvature, and grain shapes form concave polygons in the higher boron level alloys. It is proposed that just after solidification, in all of the alloys studied, grain shapes were initially concave and boundaries were wavy. Boundary straightening is presumed to occur on cooling in the low boron alloy. Boundary migration is precluded in the higher boron alloys by fast precipitation of borides at internal interfaces.

Speck, J. S.↗
DOE OSTI2024

Establishing coherent momentum-space electronic states in locally ordered materials

Rich momentum-dependent electronic structure naturally arises in solids with long-range crystalline symmetry. Reliable and scalable quantum technologies rely on materials that are either not perfect crystals or non-crystalline, breaking translational symmetry. This poses the fundamental questions of whether coherent momentum-dependent electronic states can arise without long-range order, and how they can be characterized. Here we investigate Bi 2 Se 3 , which exists in crystalline, nanocrystalline, and amorphous forms, allowing direct comparisons between varying degrees of spatial ordering. Through angle-resolved photoemission spectroscopy, we show for the first time momentum-dependent band structure with Fermi surface repetitions in an amorphous solid. The experimental data is complemented by a model that accurately reproduces the vertical, dispersive features as well as the replication at higher momenta in the amorphous form. These results reveal that well-defined real-space length scales are sufficient to produce dispersive band structures, and that photoemission can expose the imprint of these length scales on the electronic structure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Facile Decomposition of Organophosphonates by Dual Lewis Sites on a Fe 3 O 4 (111) Film

Dimethyl methylphosphonate (DMMP) is used as a simulant for toxic nerve agents and pesticides, rendering the understanding of surface chemistry requisite to design effective materials for organophosphonate (catalytic) decomposition at room temperature. In this work, DMMP surface chemistry is studied on an iron oxide surface in a very well-defined environment using temperature-programmed reaction, isotopic labeling, scanning tunneling microscopy, X-ray photoelectron spectroscopy, and density functional theory. DMMP, (CH 3 O) 2 P(O)(CH 3 ), dissociates to yield methoxy and methyl methylphosphonate, (CH 3 O)P(O) 2 (CH 3 ), on the surface at room temperature. At higher temperatures, dimethyl ether is formed via intramolecular reaction, followed by the formation of formaldehyde and methanol from adsorbed methoxy decomposition during temperature-programmed reaction. Ultimately, stochiometric combustion at 870 K produces CO, H 2 C=O, and CO 2 via reaction with lattice oxygen, with PO x remaining on the surface. Excess oxygen from the bulk is required to drive these higher temperature pathways. Neither hydrolysis nor a photoreaction is observed, when exposing the adsorbed DMMP to water or light above the band gap, respectively. No evolution of P-containing species is detected, indicating efficient trapping of this contaminant. The activity for DMMP decomposition at room temperature is reduced by the accumulation of PO x . However, a significant amount of reaction persists after multiple temperature-programmed reaction experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Studies of the chemical basis of the origin of protein synthesis Initiation and direction of peptide growth

The data presented in this paper show that the ease of nonenzymatic activation of carboxylic acids by ATP at pH 5 varies directly with the pKa of the carboxyl group, and is consistent with the idea that it is the protonated form of the carboxyl group which participates in the activation reaction. Consequently, since most N-blocked amino acids have higher pKas than do their unblocked forms, they are activated more readily, and it has been demonstrated that this principle applies to peptides as well, which are activated more rapidly than single amino acids. It is proposed that this fact may be partly responsible for the origin of two important features still observed in contemporary protein synthesis: (1) initiation in prokaryotes is accomplished with an N-blocked amino acid, and (2) elongation in all living systems occurs at the carboxyl end of the growing peptide.

Mullins, D. W., Jr.↗
DOE OSTI2022

Reactivity of Zn + aq in high-temperature water radiolysis

For this work, reactivity of transients involving Zn + in high-temperature water radiolysis has been studied in the temperature range of 25–300 °C. The reduced monovalent zinc species were generated from an electron transfer process between the hydrated electron and Zn 2+ ions using pulse radiolysis. The Zn + species can subsequently be oxidized by the radiolytically-produced oxidizing species: ˙OH, H 2 O 2 and ˙H. We find that the absorption of monovalent zinc is very sensitive to the pH of the medium. An absorption maximum at 306–311 nm is most pronounced at pH 7 and the signal then decreases in acidic media where the reducing electrons are competitively captured by protons. At pH values higher than 7, hydroxo-forms of Zn 2+ are created and the maximum of the absorption signal begins to shift to the red spectral region. We find that the optical spectrum of Zn + aq cannot be fully explained in terms of a charge-transfer to solvent (CTTS) process, which was previously proposed. Reaction rates of most of the recombination reactions investigated follow the empirical Arrhenius relationship at temperatures up to 200 °C and have been determined at higher temperatures for the first time. A bimolecular disproportionation reaction of Zn + aq is not observed under the conditions investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

An abiotic origin for hydrocarbons in the Allan Hills 84001 martian meteorite through cooling of magmatic and impact-generated gases

Thermodynamic calculations of metastable equilibria were used to evaluate the potential for abiotic synthesis of aliphatic and polycyclic aromatic hydrocarbons (PAHs) in the martian meteorite Allan Hills (ALH) 84001. The calculations show that PAHs and normal alkanes could form metastably from CO, CO2, and H2 below approximately 250-300 degrees C during rapid cooling of trapped magmatic or impact-generated gases. Depending on temperature, bulk composition, and oxidation-reduction conditions, PAHs and normal alkanes can form simultaneously or separately. Moreover, PAHs can form at lower H/C ratios, higher CO/CO2 ratios, and higher temperatures than normal alkanes. Dry conditions with H/C ratios less than approximately 0.01-0.001 together with high CO/CO2 ratios also favor the formation of unalkylated PAHs. The observed abundance of PAHs, their low alkylation, and a variable but high aromatic to aliphatic ratio in ALH 84001 all correspond to low H/C and high CO/CO2 ratios in magmatic and impact gases and can be used to deduce spatial variations of these ratios. Some hydrocarbons could have been formed from trapped magmatic gases, especially if the cooling was fast enough to prevent reequilibration. We propose that subsequent impact heating(s) in ALH 84001 could have led to dissociation of ferrous carbonates to yield fine-grain magnetite, formation of a CO-rich local gas phase, reduction of water vapor to H2, reequilibration of the trapped magmatic gases, aromatization of hydrocarbons formed previously, and overprinting of the synthesis from magmatic gases, if any. Rapid cooling and high-temperature quenching of CO-, H2-rich impact gases could have led to magnetite-catalyzed hydrocarbon synthesis.

Non-NASA Center↗
DOE OSTI2023

The Role of SnO2 Processing on Ionic Distribution in Double-Cation-Double Halide Perovskites

Moving toward a future of efficient, accessible, and less carbon-reliant energy devices has been at the forefront of energy research innovations for the past 30 years. Metal-halide perovskite (MHP) thin films have gained significant attention due to their flexibility of device applications and tunable capabilities for improving power conversion efficiency. Serving as a gateway to optimize device performance, consideration must be given to chemical synthesis processing techniques. Therefore, how does common substrate processing techniques influence the behavior of MHP phenomena such as ion migration and strain? Here, we demonstrate how a hybrid approach of chemical bath deposition (CBD) and nanoparticle SnO2 substrate processing significantly improves the performance of (FAPbI3)0.97(MAPbBr3)0.03 by reducing micro-strain in the SnO2 lattice, allowing distribution of K+ from K-Cl treatment of substrates to passivate defects formed at the interface and produce higher current in light and dark environments. X-ray diffraction reveals differences in lattice strain behavior with respect to SnO2 substrate processing methods. Through use of conductive atomic force microscopy (c-AFM), conductivity is measured spatially with MHP morphology, showing higher generation of current in both light and dark conditions for films with hybrid processing. Additionally, time-of-flight secondary ionization mass spectrometry (ToF-SIMS) observed the distribution of K+ at the perovskite/SnO2 interface, indicating K+ passivation of defects to improve the power conversion efficiency (PCE) and device stability. We show how understanding the role of ion distribution at the SnO2 and perovskite interface can help reduce the creating of defects and promote a more efficient MHP device.

conductive atomic force microscopy↗
NASA NTRS2001

Vacuum Plasma Spray of Cu-8Cr-4Nb for Advanced Liquid-Fuel Combustion Chambers

Vacuum plasma spray (VPS) formed Cu-8Cr-4Nb alloy, with low oxygen, exhibits higher strength at room and elevated temperature than material formed by extrusion. The VPS formed material exhibits slightly lower ductility than the extruded material. VPS forming of Cu-8Cr-4Nb can be used to produce near net structures with mechanical properties comparable to current extruded material.

Zimmerman, F.↗
NASA NTRS2012

Stellar Populations of Lyman Break Galaxies at z approx. to 1-3 in the HST/WFC3 Early Release Science Observations

We analyze the spectral energy distributions (SEDs) of Lyman break galaxies . (LBGs) at z approx = 1-3 selected using the Hubble Space Telescope (HST) Wide Field Camera 3 (WFC3) UVIS channel filters. These HST /WFC3 obse,rvations cover about 50 arcmin2 in the GOODS-South field as a part of the WFC3 Early Release Science program. These LBGs at z approx = 1-3 are selected using dropout selection criteria similar to high redshift LBGs. The deep multi-band photometry in this field is used to identify best-fit SED models, from which we infer the following results: (1) the photometric redshift estimate of these dropout selected LBGs is accurate to within few percent; (2) the UV spectral slope f3 is redder than at high redshift (z > 3), where LBGs are less dusty; (3) on average, LBGs at .z approx = 1-3 are massive, dustier and more highly star-forming, compared to LBGs at higher redshifts with similar luminosities, though their median values are similar within 1a uncertainties. This could imply that identical dropout selection technique, at all. redshifts, find physically similar galaxies; and (4) the stellar masses of these LBGs are directly proportional to their UV luminosities with a logarithmic slope of approx 0.46, and star-formation rates are proportional to their stellar masses with a logarithmic slope of approx 0.90. These relations hold true - within luminosities probed in this study - for LBGs from z approx = 1.5 to 5. The star-forming galaxies selected using other color-based techniques show similar correlations at z approx = 2, but to avoid any selection biases, and for direct comparison with LBGs at z > 3, a true Lyman break selection at z approx = 2 is essential. The future HST UV surveys,. both wider and deeper, covering a large luminosity range are important to better understand LBG properties, and their evolution.

Hathi, N. P.↗
DOE OSTI2026

High-resolution bandpass x-ray imaging with crystal reflectors: Overcoming geometric aberrations

The imaging problem of a specular reflector is revisited. Retaining terms through the second order in the reflector surface expansion, we derive the form of the aberration-limiting aperture for arbitrary magnification, assuming no bandwidth limitations. A permissible relative aperture size of the reflector is limited by a set relative aberration tolerance and scales with the tangent of the central glancing angle of incidence. These limiting aberrations become practically insignificant near backscattering. The results extend to x-ray diffracting crystals in symmetric Bragg geometry shaped as an ellipsoid of revolution. This geometry permits polychromatic imaging for hard x-rays over a bandwidth defined by the accepted range of Bragg angles, thereby suppressing aberrations of higher orders. We assess ellipsoidal crystal imagers using ray tracing simulations for two high-magnification designs with Bragg angles far from and close to backscattering. Finally, in both cases, the ellipsoidal crystals produce images of higher quality compared to those formed by equivalent toroidal crystal imagers.

Bragg reflection↗
DOE OSTI2021

Thorium amidates function as single-source molecular precursors for thorium dioxide

Here, we report the synthesis of four homoleptic thorium(IV) amidate complexes as single-source molecular precursors for thorium dioxide. Each can be sublimed at atmospheric pressure, with the substituents on the amidate ligands significantly impacting their volatility and thermal stability. These complexes decompose via alkene elimination to give ThO 2 without need for a secondary oxygen source. ThO 2 samples formed from pyrolysis of C-alkyl amidates were found to have higher purity and crystallinity than ThO 2 samples formed from C-aryl amidates.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Structure of an ancestral mammalian family 1B1 cytochrome P450 with increased thermostability

Mammalian cytochrome P450 enzymes often metabolize many pharmaceuticals and other xenobiotics, a feature that is valuable in a biotechnology setting. However, extant P450 enzymes are typically relatively unstable, with T 50 values of ~30–40 °C. Reconstructed ancestral cytochrome P450 enzymes tend to have variable substrate selectivity compared with related extant forms, but they also have higher thermostability and therefore may be excellent tools for commercial biosynthesis of important intermediates, final drug molecules, or drug metabolites. In this work, the mammalian ancestor of the cytochrome P450 1B subfamily was characterized structurally and functionally, revealing differences from the extant human CYP1B1 in ligand binding, metabolism, and potential molecular contributors to its thermostability. Whereas extant human CYP1B1 has one molecule of α-naphthoflavone in a closed active site, we observed that subtle amino acid substitutions outside the active site in the ancestor CYP1B enzyme yielded an open active site with four ligand copies. A structure of the ancestor with 17β-estradiol revealed only one molecule in the active site, which still had the same open conformation. Detailed comparisons between the extant and ancestor forms revealed increases in electrostatic and aromatic interactions between distinct secondary structure elements in the ancestral forms that may contribute to their thermostability. To the best of our knowledge, this represents the first structural evaluation of a reconstructed ancestral cytochrome P450, revealing key features that appear to contribute to its thermostability.

16beta-estradiol↗
DOE OSTI2022

Characterization of the structure and chemistry of the solid–electrolyte interface by cryo-EM leads to high-performance solid-state Li-metal batteries

Solid-state lithium-metal (Li 0 ) batteries are gaining traction for electric vehicle applications because they replace flammable liquid electrolytes with a safer, solid-form electrolyte that also offers higher energy density and better resistance against Li dendrite formation. Solid polymer electrolytes (SPEs) are highly promising candidates because of their tunable mechanical properties and easy manufacturability; however, their electrochemical instability against lithium metal (Li 0 ), mediocre conductivity, and poorly understood Li 0 /SPE interphases have prevented extensive application in real batteries. In particular, the origin of the low Coulombic efficiency (CE) associated with SPEs remains elusive, as the debate continues as to whether it originates from unfavored interfacial reactions or lithium dendritic growth and dead lithium formation. In this work, we use state-of-the-art cryo-electromicroscopy (cryoEM) imaging and spectroscopic techniques to characterize the structure and chemistry of the interface between Li 0 and a polyacrylate-based SPE. Contradicting the conventional knowledge, we find that no protective interphase forms, owing to the sustained reactions between deposited Li dendrites and polyacrylic backbones and succinonitrile plasticizer. Due to the reaction induced volume change, large amounts of cracks form inside the Li dendrites with a stress corrosion-cracking behavior, indicating that Li0cannot be passivated in this SPE system. Based on this observation, we then introduce additive engineering leveraging on the knowledge of liquid electrolytes, and demonstrate that the Li 0 surface can be effectively protected against corrosion using fluoroethylene carbonate (FEC), leading to densely packed Li 0 domes with conformal and stable solid-electrolyte interphases (SEIs) films. Owing to the high room temperature ionic conductivity of 1.01 mS/cm -1 , the high transference number of 0.57 and the stabilized lithium electrolyte interface, this improved new SPE delivers an excellent lithium plating/stripping CE of 99% and 1800 hours of stable cycling in Li||Li symmetric cells (0.2 mA/cm -2 , 1mAh/cm -2 ). Furthermore, this improved cathodic stability along with the high anodic stability enables record high cycle life of >2000 cycles for Li||LiFePO 4 and >400 cycles for Li||LiCoO 2 full cells.

25 ENERGY STORAGE↗