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All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

Coordinated Analyses of Diverse Components in Whole Stardust Cometary Tracks

Analyses of samples returned from Comet 81P/Wild-2 by the Stardust spacecraft have resulted in a number of surprising findings that show the origins of comets are more complex than previously suspected. However, these samples pose new experimental challenges because they are diverse and suffered fragmentation, thermal alteration, and fine scale mixing with aerogel. Questions remain about the nature of Wild-2 materials, such as the abundances of organic matter, crystalline materials, and presolar grains. To overcome these challenges, we have developed new sample preparation and analytical techniques tailored for entire aerogel tracks. We have successfully ultramicrotomed entire "carrot" and "bulbous" type tracks along their axis while preserving their original shapes. This innovation allowed us to examine the distribution of fragments along the track from the entrance hole all the way to the terminal particle (TP). We will present results of our coordinated analysis of the "carrot" type aerogel tracks #112 and #148, and the "bulbous" type aerogel tracks #113, #147 and #168 from the nanometer to the millimeter scale. Scanning TEM (STEM) was used for elemental and detailed mineralogy characterization, NanoSIMS was used for isotopic analyses, and ultrafast two-step laser mass spectrometry (ultra L2MS) was used to investigate the nature and distribution of organic phases. The isotopic measurements were performed following detailed TEM characterization for coordinated mineralogy. This approach also enabled spatially resolving the target sample from fine-scale mixtures of compressed aerogel and melt. Eight of the TPs of track #113 are dominated by coarse-grained enstatite (En90) that is largely orthoenstatite with minor, isolated clinoenstatite lamellae. One TP contains minor forsterite (Fo88) and small inclusions of diopside with % levels of Al, Cr and Fe. Two of the TPs contain angular regions of fine-grained nepheline surrounded by enstatite. Their O isotopic compositions are in the range of meteoritic materials, implying that they originated in the inner Solar System. Complex aromatic hydrocarbons are distributed along aerogel tracks and in TPs. These organics are likely cometary but were affected by shock heating. Three TPs of track #147 and two of track 168 have completely different mineralogy. TP2 of track #147 entirely consists of Fe-Ni alloy (5 at% Ni) and TP3 contains Fa28 with partial olivine-pyroxene intergrowth and minor albite. TP4 contains pentlandite, Fe-olivine, albite and high Ca pyroxene with Na and Cr (kosmochlor component). TP1 of #168 contains Fe-olivine, albite and pentlandite, and the concentric TP2 has a core of olivine grains with co-existing indigenous amorphous SiO2 surrounded by a carbon mantle, which in turn is surrounded by a layer of compressed aerogel. The TP of the carrot track #112 is a (16)O-rich forsteritic olivine grain that likely formed in the inner Solar System. The track also contains submicron-sized diamond grains of likely Solar System origin.

Nakamura-Messenger, Keiko↗
NASA NTRS1998

Crystal Growth of Mixed Optical Materials With the Automatic Czochralski Puller

Most of optical and semiconductor single crystalline materials produced in the electronic industry is grown with the Czochralski technique. This is the only technique capable of producing large high quality single crystals in a reasonable amount of time. The technique originated, and took its name, from pioneering work by Polish engineer J. Czochralski in 1917, who pulled single crystal wires (fibers) of low melting point metals from the melt in order to determine the maximum speeds at which they could be crystallized. The technique has been modified and its application has been extended first to the growth of silicon and later to a very wide range of compound semiconductors, metals, oxides and halides. It is now the dominant technique for the wide range of materials in the electronic industries. Czochralski growth is initiated by dipping a seed crystal of a chosen crystallographic orientation onto the surface of a melt contained in the heated crucible. The seed is then slowly withdrawn, solidifying the adherent column of the melt in steady state at an average rate given by the sum of the pulling rate and the rate of lowering the solid-liquid interface due to the depletion of the melt in the crucible. The control of the desired crystal diameter is achieved by closely controlling the heat balance at the solid-liquid interface.

Loutts, George B.↗
NASA NTRS2013

Highly Reduced Forsterite and Enstatite from Stardust Track 61: Implications for Radial Transport of E Asteroid Material

The Stardust Mission returned a large fraction of high-temperature, crystalline material that was radially transported from the inner solar system to the Kuiper Belt [1,2]. The mineralogical diversity found in this single cometary collection points to an even greater number of source materials than most primitive chondrites. In particular, the type II olivine found in Wild 2 includes the three distinct Fe/Mn ratios found in the matrix and chondrules of carbonaceous chondrites (CCs) and unequilibrated ordinary chondrites (UOCs) [3]. We also find that low-Ca pyroxene is quite variable (approximately Fs3-29) and is usually indistinguishable from CC, UOC, and EH3 pyroxene as well. However, occasional olivine and pyroxene compositions are found in Wild 2 that are inconsistent with chondrites. The Stardust track 61 terminal particle (TP) is one such example and is the focus of this study. It s highly reduced forsterite and enstatite is consistent only with that in Aubrites, in which FeO is essentially absent from these phases (less than approximately 0.1 wt.% FeO) [4].

Frank, David R.↗
DOE OSTI2026

A technoeconomic analysis of poly- and single-crystalline NMCxyz from material synthesis to battery pack design

A process model was developed for estimating the cost of manufacturing lithium nickel manganese cobalt oxide (LiNi x Mn y Co z O 2 , NMCxyz), the main cathode active material in lithium-ion batteries used for electric vehicles in the United States. The model was used to estimate the prices of NMC622, NMC811, and NMC955 with poly- and single-crystalline morphologies. The Battery Performance and Cost Model (BatPaC) was used to translate the NMC prices into battery pack prices. A decrease in cobalt content from NMC622 (20% Co) to NMC955 (5% Ni) decreases the material price by $\$$0.85/kg (−3%) due to a decrease in the cost of battery materials, which account for >60% of the total price. NMC622 only produce cheaper packs if the nickel sulfate cost is > 4 × its baseline, indicating higher nickel materials will lower pack cost under normal market conditions. Single-crystalline materials are $\$$2/kg (+8%) more expensive than their polycrystalline counterparts due to higher manufacturing costs from longer, hotter calcinations in less densely packed saggars. This increases the pack price by ∼$\$$3/kWh, assuming identical electrochemical properties. In conclusion, the single-crystalline materials could yield cheaper packs if cycled to higher upper cutoff voltages (i.e., 4.35 to 4.43 V for the single-crystalline material vs. 4.25 V for their polycrystalline counterparts).

Cost modeling↗
NASA NTRS1992

Nonlinear Elastic Effects on the Energy Flux Deviation of Ultrasonic Waves in GR/EP Composites

In isotropic materials, the direction of the energy flux (energy per unit time per unit area) of an ultrasonic plane wave is always along the same direction as the normal to the wave front. In anisotropic materials, however, this is true only along symmetry directions. Along other directions, the energy flux of the wave deviates from the intended direction of propagation. This phenomenon is known as energy flux deviation and is illustrated. The direction of the energy flux is dependent on the elastic coefficients of the material. This effect has been demonstrated in many anisotropic crystalline materials. In transparent quartz crystals, Schlieren photographs have been obtained which allow visualization of the ultrasonic waves and the energy flux deviation. The energy flux deviation in graphite/epoxy (gr/ep) composite materials can be quite large because of their high anisotropy. The flux deviation angle has been calculated for unidirectional gr/ep composites as a function of both fiber orientation and fiber volume content. Experimental measurements have also been made in unidirectional composites. It has been further demonstrated that changes in composite materials which alter the elastic properties such as moisture absorption by the matrix or fiber degradation, can be detected nondestructively by measurements of the energy flux shift. In this research, the effects of nonlinear elasticity on energy flux deviation in unidirectional gr/ep composites were studied. Because of elastic nonlinearity, the angle of the energy flux deviation was shown to be a function of applied stress. This shift in flux deviation was modeled using acoustoelastic theory and the previously measured second and third order elastic stiffness coefficients for T300/5208 gr/ep. Two conditions of applied uniaxial stress were considered. In the first case, the direction of applied uniaxial stress was along the fiber axis (x3) while in the second case it was perpendicular to the fiber axis along the laminate stacking direction (x1).

Prosser, William H.↗
NASA NTRS2004

Ion Milling of Sapphire

The ion milling of sapphire is a complicated operation due to several characteristics of the material itself. It is a relatively hard transparent nonconductive crystalline material that does not transfer heat nearly as well as metals that have been successfully ion milled in the past. This investigation involved designing an experimental arrangement, using existing ion milling equipment, as the precursor to figuring the surface of sapphire and other insulating optical materials. The experimental arrangement employs a laser probe beam to constantly monitor the stresses being induced in the material, as it is being ion milled. The goal is to determine if the technique proposed would indeed indicate the stress being induced in the material so that these stresses can be managed to prevent failure of the optic.

Gregory, Don A.↗
NASA NTRS2004

Thermally Stable Heterocyclic Imines as New Potential Nonlinear Optical Materials

In the course of a search for new thermostable acentric nonlinear optical crystalline materials, several heterocyclic imine derivatives were designed, with the general structure D-pi-A(D'). Introduction of a donor amino group (D') into the acceptor moiety was expected to bring H-bonds into their crystal structures, and so to elevate their melting points and assist in an acentric molecular packing. Six heterocycle-containing compounds of this type were prepared, single crystals were grown for five of them, and these crystals were characterized by X-ray analysis. A significant melting temperature elevation was found for all of the synthesized compounds. Three of the compounds were also found to crystallize in acentric space groups. One of the acentric compounds is built as a three-dimensional H-bonded molecular network. In the other two compounds, with very similar molecular structure, the molecules form one-dimensional H-bonded head-to-head associates (chains). These chains are parallel in two different crystallographic directions and form very unusual interpenetrating chain patterns in an acentric crystal. Two of the compounds crystallized with centrosymmetric molecular packing.

Nesterov, Volodymyr V.↗
DOE OSTI2022

Role of the Mineral in the Self-Healing of Cracks in Human Enamel

Human enamel is an incredibly resilient biological material, withstanding repeated daily stresses for decades. The mechanisms behind this resilience remain an open question, with recent studies demonstrating a crack-deflection mechanism contributing to enamel toughness and other studies detailing the roles of the organic matrix and remineralization. Here, we focus on the mineral and hypothesize that self-healing of cracks in enamel nanocrystals may be an additional mechanism acting to prevent catastrophic failure. To test this hypothesis, we used a molecular dynamics (MD) approach to compare the fracture behavior of hydroxyapatite (HAP) and calcite, the main minerals in human enamel and sea urchin teeth, respectively. In this work, we find that cracks heal under pressures typical of mastication by fusion of crystals in HAP but not in calcite, which is consistent with the resilience of HAP enamel that calcite teeth lack. Scanning transmission electron microscopy (STEM) images of structurally intact ("sound") human enamel show dashed-line nanocracks that resemble and therefore might be the cracks healed by fusion of crystals produced in silico . The fast, self-healing mechanism shown here is common in soft materials and ceramics but has not been observed in single crystalline materials at room temperature. The crack self-healing in sound enamel nanocrystals, therefore, is unique in the human body and unique in materials science, with potential applications in designing bioinspired materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Synchrotron radiation - Applications in the earth sciences

Synchrotron-radiation sources and their characteristics are overviewed along with recent synchrotron-based research on earth materials and future earth-science applications utilizing the next generation of synchrotron-radiation sources presently under construction. Focus is placed on X-ray scattering studies of earth materials (crystalline and noncrystalline) under ambient conditions, diffraction studies of earth materials at high pressures and/or temperatures, spectroscopic studies, primarily X-ray absorption spectroscopy, and spatially resolved X-ray fluorescence studies of compositional variations in earth materials. It is noted that other synchrotron-based methods, such as X-ray tomography and topography may become important in characterizing earth materials, while soft X-ray/vacuum ultraviolet radiation from synchrotron sources can be applied to problems involving the structural environments of low-atomic-number elements and the characterization of surface reactions of minerals with liquids and gases.

Bassett, W. A.↗
NASA NTRS1985

Ion beam sputter deposited zinc telluride films

Zinc telluride is of interest as a potential electronic device material, particularly as one component in an amorphous superlattice, which is a new class of interesting and potentially useful materials. Some structural and electronic properties of ZnTe films deposited by argon ion beam sputter depoairion are described. Films (up to 3000 angstroms thick) were deposited from a ZnTe target. A beam energy of 1000 eV and a current density of 4 mA/sq. cm. resulted in deposition rates of approximately 70 angstroms/min. The optical band gap was found to be approximately 1.1 eV, indicating an amorphous structure, as compared to a literature value of 2.26 eV for crystalline material. Intrinsic stress measurements showed a thickness dependence, varying from tensile for thicknesses below 850 angstroms to compressive for larger thicknesses. Room temperature conductivity measurement also showed a thickness dependence, with values ranging from 1.86 x to to the -6/ohm. cm. for 300 angstrom film to 2.56 x 10 to the -1/ohm. cm. for a 2600 angstrom film. Measurement of the temperature dependence of the conductivity for these films showed complicated behavior which was thickness dependent. Thinner films showed at least two distinct temperature dependent conductivity mechanisms, as described by a Mott-type model. Thicker films showed only one principal conductivity mechanism, similar to what might be expected for a material with more crystalline character.

Gulino, D. A.↗
NASA NTRS1986

Ion beam sputter deposited zinc telluride films

Zinc telluride is of interest as a potential electronic device material, particularly as one component in an amorphous superlattice, which is a new class of interesting and potentially useful materials. Some structural and electronic properties of ZnTe films deposited by argon ion beam sputter deposition are described. Films (up to 3000 angstroms thick) were deposited from a ZnTe target. A beam energy of 1000 eV and a current density of 4 mA/sq cm resulted in deposition rates of approximately 70 angstroms/min. The optical band gap was found to be approximately 1.1 eV, indicating an amorphous structure, as compared to a literature value of 2.26 eV for crystalline material. Intrinsic stress measurements showed a thickness dependence, varying from tensile for thicknesses below 850 angstroms to compressive for larger thicknesses. Room temperature conductivity measurement also showed a thickness dependence, with values ranging from 1.86 x 10 to the -6th/ohm cm for 300 angstrom film to 2.56 x 10 to the -1/ohm cm for a 2600 angstrom film. Measurement of the temperature dependence of the conductivity for these films showed complicated behavior which was thickness dependent. Thinner films showed at least two distinct temperature dependent conductivity mechanisms, as described by a Mott-type model. Thicker films showed only one principal conductivity mechanism, similar to what might be expected for a material with more crystalline character.

Gulino, D. A.↗
DOE OSTI2025

Epitaxy of Emerging Materials and Advanced Heterostructures for Microelectronics and Quantum Sciences

Abstract Epitaxy, a process to prepare crystalline materials in nanostructures and thin films, is the core technology for preparing high‐quality materials as a key enabler of next‐generation microelectronics and quantum information system. Progress in epitaxy has been expanding the choice of materials and their heterostructures beyond the combinations limited by materials compatibility. However, the improvement of material quality, physical implementation of materials with unique properties, and integration of incommensurate materials in an architecture have been the challenging issues. Emerging materials, including 2D materials and quantum materials, have opened opportunities to study epitaxy mechanisms and realize various functional devices. Acceleration of discovery and progress in epitaxy research should be accomplished by “understanding of epitaxy under various circumstances at multiple length scales” and “integration of experiments and models.” In the perspective, a basic summary of the status of epitaxially grown materials, the challenges in epitaxy research, and integration of modeling epitaxy and ultimate control of the epitaxy process with advanced characterization techniques are discussed.

Materials Science↗
DOE OSTI2021

Revealing nano-scale lattice distortions in implanted material with 3D Bragg ptychography

Small ion-irradiation-induced defects can dramatically alter material properties and speed up degradation. Unfortunately, most of the defects irradiation creates are below the visibility limit of state-of-the-art microscopy. As such, our understanding of their impact is largely based on simulations with major unknowns. Here we present an x-ray crystalline microscopy approach, able to image with high sensitivity, nano-scale 3D resolution and extended field of view, the lattice strains and tilts in crystalline materials. Using this enhanced Bragg ptychography tool, we study the damage helium-ion-irradiation produces in tungsten, revealing a series of crystalline details in the 3D sample. Our results lead to the conclusions that few-atom-large ‘invisible’ defects are likely isotropic in orientation and homogeneously distributed. A partially defect-denuded region is observed close to a grain boundary. These findings open up exciting perspectives for the modelling of irradiation damage and the detailed analysis of crystalline properties in complex materials.

42 ENGINEERING↗
NASA NTRS1990

Optical constants of solid methane

Methane is the most abundant simple organic molecule in the outer solar system bodies. In addition to being a gaseous constituent of the atmospheres of the Jovian planets and Titan, it is present in the solid form as a constituent of icy surfaces such as those of Triton and Pluto, and as cloud condensate in the atmospheres of Titan, Uranus, and Neptune. It is expected in the liquid form as a constituent of the ocean of Titan. Cometary ices also contain solid methane. The optical constants for both solid and liquid phases of CH4 for a wide temperature range are needed for radiative transfer calculations, for studies of reflection from surfaces, and for modeling of emission in the far infrared and microwave regions. The astronomically important visual to near infrared measurements of solid methane optical constants are conspicuously absent from the literature. Preliminary results are presented on the optical constants of solid methane for the 0.4 to 2.6 micrometer region. Deposition onto a substrate at 10 K produces glassy (semi-amorphous) material. Annealing this material at approximately 33 K for approximately 1 hour results in a crystalline material as seen by sharper, more structured bands and negligible background extinction due to scattering. The constant k is reported for both the amorphous and the crystalline (annealed) states. Typical values (at absorption maxima) are in the .001 to .0001 range. Below lambda = 1.1 micrometers the bands are too weak to be detected by transmission through the films less than or equal to 215 micrometers in thickness, employed in the studies to date. Using previously measured values of the real part of the refractive index, n, of liquid methane at 110 K, n is computed for solid methane using the Lorentz-Lorenz relationship. Work is in progress to extend the measurements of optical constants n and k for liquid and solid to both shorter and longer wavelengths, eventually providing a complete optical constants database for condensed CH4.

Khare, Bishun N.↗
NASA NTRS1995

The Metastable Persistence of Vapor-Deposited Amorphous Ice at Anomalously High Temperatures

Studies of the gas release, vaporization behavior and infrared (IR) spectral properties of amorphous and crystalline water ice have direct application to cometary and planetary outgassing phenomena and contribute to an understanding of the physical properties of astrophysical ices. Several investigators report anomalous phenomena related to the warming of vapor-deposited astrophysical ice analogs. However gas release, ice volatilization and IR spectral features are secondary or tertiary manifestations of ice structure or morphology. These observations are useful in mimicking the bulk physical and chemical phenomena taking place in cometary and other extraterrestrial ices but do not directly reveal the structural changes which are their root cause. The phenomenological interpretation of spectral and gas release data is probably the cause of somewhat contradictory explanations invoked to account for differences in water ice behavior in similar temperature regimes. It is the microstructure, micromorphology and microchemical heterogeneity of astrophysical ices which must be characterized if the mechanisms underlying the observed phenomena are to be understood. We have been using a modified Transmission Electron Microscope to characterize the structure of vapor-deposited astrophysical ice analogs as a function of their deposition, temperature history and composition. For the present experiments, pure water vapor is deposited at high vacuum onto a 15 K amorphous carbon film inside an Hitachi H-500H TEM. The resulting ice film (approx. 0.05 micrometers thick) is warmed at the rate of 1 K per minute and diffraction patterns are collected at 1 K intervals. These patterns are converted into radial intensity distributions which are calibrated using patterns of crystalline gold deposited on a small part of the carbon substrate. The small intensity contributed by the amorphous substrate is removed by background subtraction. The proportions of amorphous and crystalline material in each pattern are determined by subtracting a percentage of crystalline component relative to amorphous and pure crystalline endmembers. Vapor-deposited water ice undergoes two amorphous to amorphous structural transformations in the temperature range 15-130 K with important astrophysical implications. The onset of cubic crystallization occurs at 142-160 K (at 1K per minute heating rates) during which the 220 and 311 diffraction maxima appear and 0.1 micrometer crystallites can be seen in bright field images. This transition is time dependent.

Blake, David F.↗
NASA NTRS2003

Synthesis of Nano-Crystalline Gamma-TiAl Materials

One of the principal problems with nano-crystalline materials is producing them in quantities and sizes large enough for valid mechanical property evaluation. The purpose of this study was to explore an innovative method for producing nano-crystalline gamma-TiAl bulk materials using high energy ball milling and brief secondary processes. Nano-crystalline powder feedstock was produced using a Fritsch P4(TM) vario-planetary ball mill recently installed at NASA-LaRC. The high energy ball milling process employed tungsten carbide tooling (vials and balls) and no process control agents to minimize contamination. In a collaborative effort, two approaches were investigated, namely mechanical alloying of elemental powders and attrition milling of pre-alloyed powders. The objective was to subsequently use RF plasma spray deposition and short cycle vacuum hot pressing in order to effect consolidation while retaining nano-crystalline structure in bulk material. Results and discussion of the work performed to date are presented.

Hales, Stephen J.↗
DOE OSTI2024

Iterative Bragg peak removal on X-ray absorption spectra with automatic intensity correction

This study introduces a novel iterative Bragg peak removal with automatic intensity correction (IBR-AIC) methodology for X-ray absorption spectroscopy (XAS), specifically addressing the challenge of Bragg peak interference in the analysis of crystalline materials. The approach integrates experimental adjustments and sophisticated post-processing, including an iterative algorithm for robust calculation of the scaling factor of the absorption coefficients and efficient elimination of the Bragg peaks, a common obstacle in accurately interpreting XAS data, particularly in crystalline samples. The method was thoroughly evaluated on dilute catalysts and thin films, with fluorescence mode and large-angle rotation. The results underscore the technique's effectiveness, adaptability and substantial potential in improving the precision of XAS data analysis. While demonstrating significant promise, the method does have limitations related to signal-to-noise ratio sensitivity and the necessity for meticulous angle selection during experimentation. Overall, IBR-AIC represents a significant advancement in XAS, offering a pragmatic solution to Bragg peak contamination challenges, thereby expanding the applications of XAS in understanding complex materials under diverse experimental conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1989

Space optical materials and space qualification of optics; Proceedings of the Meeting, Orlando, FL, Mar. 30, 31, 1989

The present conference on space optical materials discusses current metals and nonmetals-related processing R&D efforts, investigations of space optical effects, and the spaceborne qualification of optical components and systems. Attention is given to CVD SiC for optical applications, optical materials for space-based lasers, the high-efficiency acoustooptic and optoelectronic crystalline material Tl3AsSe3, HIPed Be for low-scatter cryogenic optics, durable solar-reflective surfacing for Be optics, thermal effects on Be mirrors, contamination effects on optical surfaces in the monolayer regime, and IR background signature survey experiment results. Also discussed are the contamination-control program for the EUE instrument, an optical multipass radiation system for the heating of levitated samples, optical sample-position sensing for electrostatic levitation, and the qualification of space lighting systems.

Hale, Robert R.↗