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At least 217 records · Page 12

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NASA NTRS2012

Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗

NASA NTRS2012

Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

Lawson, John W.↗

NASA NTRS2004

A New Process for Fabricating Random Silicon Nanotips

An improved process for the fabrication of random arrays of silicon nanotips has been demonstrated to be feasible. Relative to other such processes, this process offers advantages of low cost and simplicity. Moreover, this process can readily be combined with other processes used to fabricate integrated circuits and other monolithic silicon structures. Arrays of silicon nanotips are subjects of research and development efforts directed toward utilizing them as field emitters in flat-panel displays, vacuum microelectronics, and microwave devices. Other silicon-nanotip-fabrication processes developed thus far predominantly include lithography, etching, and/or elaborate deposition steps followed by oxide sharpening steps and are both process intensive as well as expensive. In addition to being cheaper and simpler, the present process can efficiently produce silicon nanotips that range in height from a few microns to several tens of microns and are distributed over large areas. The process mentioned here can be summarized as consisting of (1) the growth of micro-etch masks on a silicon substrate, followed by (2) etching away of the masks, along with some of the substrate, to make an array of sharp tips. In the first step of the process, a cleaned silicon substrate is subjected to reactive ion etching (RIE) in a certain mixture of oxygen and carbon tetrafluoride under radio-frequency excitation. This process step results in the growth of fluorine based compounds in the form of stumps randomly distributed on the substrate. These stumps are known in the art as polymer RIE grass. The dimensions of these stumps are of the order of hundreds of nanometers, the exact values depending on process time and gas composition. The areal density of the stumps decreases with increasing process time as they grow and merge with neighboring stumps. These stumps constitute the micro-etch masks for the next step of the process. In the second step of the process, the substrate covered with the microetch masks is subjected to deep reactive ion etching (DRIE) process, which consists of cycles of reactive ion etching alternating with passivation (the Bosch process). The gas used in the etching substeps is sulfur hexafluoride (SF6); the gas used in the passivation substeps is octafluorocyclobutane (C4F8). The portions of the substrate directly under the RIE grass stubs are etched more slowly than are the portions between the stubs. Hence, what remains at the end of the process, after the stubs and parts of the substrate have been etched away, are silicon spikes where the stubs were (see figure). In a variation of the process, one starts with a silicon or silicon-on-insulator substrate with the intent to etch through the full thickness of the substrate. That is to say, one chooses the thickness so that the DRIE step releases individual nanotips. Such individual silicon nanotips may have utility as microscopic probes in biomedical applications.

Manohara, Harish↗

NASA NTRS2017

TEM Analysis of Diffusion-Bonded Silicon Carbide Ceramics Joined Using Metallic Interlayers

SiC fiber-bonded ceramics (SA-Tyrannohex: SA-THX) diffusion-bonded with TiCu metallic interlayers were investigated. Thin samples of the ceramics were prepared with a focused ion beam (FIB) and the interfacial microstructure of the prepared samples was studied by transmission electron microscopy (TEM) and scanning TEM (STEM). In addition to conventional microstructure observation, for detailed analysis of reaction compounds in diffusion-bonded area, we performed STEM-EDS measurements and selected area electron diffraction (SAD) experiments. The TEM and STEM experiments revealed the diffusion-bonded area was composed of only one reaction layer, which was characterized by TiC precipitates in Cu-Si compound matrix. This reaction layer was in good contact with the SA-THX substrates, and it is concluded that the joint structure led to the excellent bonding strength.

Ceramics↗

DOE OSTI2024

Multimodal, microspectroscopic speciation of legacy phosphorus in two US mid-Atlantic agricultural soils

To understand phosphorus (P) mobility in agricultural soils and its potential environmental risk, it is essential to directly measure solid phase P speciation. Often, bulk P K-edge X-ray absorption near edge structure (XANES) spectroscopy followed by linear combination fitting (LCF) is utilized to determine the solid P phases in soil. However, this method may limit results to only a few major phases. Additionally, XANES spectra for different P species may have very similar features, leading to an over- or underestimate of their contribution to LCF. Here, an improved P speciation by pairing multimodal microbeam-X-ray fluorescence (µ-XRF) mapping coupled with µ-XANES (microbeam-X-ray absorption near edge structure) analysis to directly speciate major and minor P phases on the micron scale is provided. We combined maps of both tender (P, sulfur, aluminum, and silicon) and hard energy (calcium, iron [Fe], and manganese) elements to evaluate the elemental co-locations with P. To better account for uncertainty assigning XANES peaks to individual compounds, a more quantitative fingerprinting by “spectral feature analysis” was completed. With this analysis, an R-factor is reported for the fit. These results were compared to traditional LCF. Pre-edge fitting results revealed the presence of a two-component pre-edge feature for phosphate adsorbed to ferrihydrite. Additionally, phytate co-precipitated with ferrihydrite (Phytate-Fe-Cop) had a pre-edge feature, indicating direct association with Fe. Lastly, a unique P species associated with manganese oxide was identified in the soil via multimodal mapping and µ-XANES. These results allow for better prediction of P dissolution and mobility.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Cs X Si 15 P 21 ( X = Sn or Pb): Polar Noncentrosymmetric Si–P Frameworks Stabilized by Covalent X –P Bonding

Metal silicon phosphides composed of earth-abundant Si and P tend to exhibit semiconducting properties and adopt diverse crystal structures with relatively small additions of structure-directing elements. The potential of silicon phosphide materials in nonlinear optical applications has been hindered by the inability to systematically produce noncentrosymmetric structures with such a flexible framework. Here, in this work, two isostructural compounds with a novel noncentrosymmetric structure were made possible by the inclusion of elements with stereochemically active lone pairs (Sn 2+ and Pb 2+ ). The structures were determined through single-crystal and synchrotron powder X-ray diffraction. Analysis of chemical bonding in real space through the electron localization function revealed stereochemically active Pb 2+ and Sn 2+ species in a trigonal pyramidal coordination with {Pb/Sn}–P bonds. Such covalent bonding between Pb and P is quite uncommon in extended solids and has been reported in a few rare instances. Band structure calculations and linear optical measurements confirm the semiconducting nature of Cs X Si 15 P 21 ( X = Sn or Pb). The synthesis was optimized to yield high-purity polycrystalline samples. The nonlinear optical properties show promising second-harmonic generation (SHG) coefficients from the Kurtz–Perry method. First-principles calculations of the nonlinear optical properties support the experimentally determined SHG values and provide moderate values of birefringence, suggesting Cs X Si 15 P 21 could be phase-matchable and practical nonlinear optical materials in the mid-IR region.

crystal structure↗

NASA NTRS2003

Aluminum Alloy and Article Cast Therefrom

A cast article from an aluminum alloy, which has improved mechanical properties at elevated temperatures, has the following composition in weight percent: Silicon 14 - 25.0, Copper 5.5 - 8.0, Iron 0.05 - 1.2, Magnesium 0.5 - 1.5, Nickel 0.05 - 0.9, Manganese 0.05 - 1.0, Titanium 0.05 - 1.2, Zirconium 0.05 - 1.2, Vanadium 0.05 - 1.2, Zinc 0.05 - 0.9, Phosphorus 0.001 - 0.1, and the balance is Aluminum, wherein the silicon-to-magnesium ratio is 10 - 25, and the copper-to-magnesium ratio is 4 - 15. The aluminum alloy contains a simultaneous dispersion of three types of Al3X compound particles (X=Ti, V, Zr) having a LI2, crystal structure, and their lattice parameters are coherent to the aluminum matrix lattice. A process for producing this cast article is also disclosed, as well as a metal matrix composite, which includes the aluminum alloy serving as a matrix and containing up to about 60% by volume of a secondary filler material.

Lee, Jonathan A.↗

NASA NTRS2005

High Strength Aluminum Alloy For High Temperature Applications

A cast article from an aluminum alloy has improved mechanical properties at elevated temperatures. The cast article has the following composition in weight percent: Silicon 6.0-25.0, Copper 5.0-8.0, Iron 0.05-1.2, Magnesium 0.5-1.5, Nickel 0.05-0.9, Manganese 0.05-1.2, Titanium 0.05-1.2, Zirconium 0.05-1.2, Vanadium 0.05-1.2, Zinc 0.05-0.9, Strontium 0.001-0.1, Phosphorus 0.001-0.1, and the balance is Aluminum, wherein the silicon-to-magnesium ratio is 10-25, and the copper-to-magnesium ratio is 4-15. The aluminum alloy contains a simultaneous dispersion of three types of Al3X compound particles (X=Ti, V, Zr) having a LI2 crystal structure, and their lattice parameters are coherent to the aluminum matrix lattice. A process for producing this cast article is also disclosed, as well as a metal matrix composite, which includes the aluminum alloy serving as a matrix containing up to about 60% by volume of a secondary filler material.

Jonathan A Lee↗

NASA NTRS1981

Application of surface analysis to solve problems of wear

Results are presented for the use of surface analytical tools including field ion microscopy, Auger emission spectroscopy analysis (AES), cylindrical mirror Auger analysis and X-ray photoelectron spectroscopy (XPS). Data from the field ion microscope reveal adhesive transfer (wear) at the atomic level with the formation of surface compounds not found in the bulk, and AES reveals that this transfer will occur even in the presence of surface oxides. Both AES and XPS reveal that in abrasive wear with silicon carbide and diamond contacting the transition metals, the surface and the abrasive undergo a chemical or structural change which effects wear. With silicon carbide, silicon volatilizes leaving behind a pseudo-graphitic surface and the surface of diamond is observed to graphitize.

Buckley, D. H.↗

NASA NTRS1982

IC Capacitors on Groups III-to-V Substrates

Oxides applied by a "spin-on" process have been used to fabricate capacitors on gallium arsenide and indium phosphide substrates: they might also be used with other compounds of elements in groups III to V of the periodic table. The III-to-V materials are attractive for integrated circuits because they offer responses potentially six times faster than silicon.

Alcorn, G. E.↗

NASA NTRS1981

Combustion system processes leading to corrosive deposits

Degradation of turbine engine hot gas path components by high temperature corrosion can usually be associated with deposits even though other factors may also play a significant role. The origins of the corrosive deposits are traceable to chemical reactions which take place during the combustion process. In the case of hot corrosion/sulfidation, sodium sulfate was established as the deposited corrosive agent even when none of this salt enters the engine directly. The sodium sulfate is formed during the combustion and deposition processes from compounds of sulfur contained in the fuel as low level impurities and sodium compounds, such as sodium chloride, ingested with intake air. In other turbine and power generation situations, corrosive and/or fouling deposits can result from such metals as potassium, iron, calcium, vanadium, magnesium, and silicon.

Stearns, C. A.↗

NASA NTRS1983

Combustion system processes leading to corrosive deposits

Stearns, C. A.↗

NASA NTRS1993

Chemical analyses of provided samples

Two batches of samples were received and chemical analysis was performed of the surface and near surface regions of the samples by the surface analysis by laser ionization (SALI) method. The samples included four one-inch optics and several paint samples. The analyses emphasized surface contamination or modification. In these studies, pulsed sputtering by 7 keV Ar+ and primarily single-photon ionization (SPI) by coherent 118 nm radiation (at approximately 5 x 10(exp 5) W/cm(sup 2) were used. For two of the samples, also multiphoton ionization (MPI) at 266 nm (approximately 5 x 10(exp 11) W/cm(sup 2) was used. Most notable among the results was the silicone contamination on Mg2 mirror 28-92, and that the Long Duration Exposure Facility (LDEF) paint sample had been enriched in K and Na and depleted in Zn, Si, B, and organic compounds relative to the control paint.

Becker, Christopher H.↗

NASA NTRS2006

Sorption Properties of Aerogel in Liquid Nitrogen

Aerogel products are now available as insulation materials of the future. The Cryogenics Test Laboratory at the NASA Kennedy Space Center is developing aerogel-based thermal insulation systems for space launch applications. Aerogel beads (Cabot Nanogel ) and aerogel blankets (Aspen Aerogels Spaceloft ) have outstanding ambient pressure thermal performance that makes them useful for applications where sealing is not possible. Aerogel beads are open-celled silicone dioxide and have tiny pores that run throughout the body of the bead. It has also recently been discovered that aerogel beads can be used as a filtering device for aqueous compounds at room temperature. With their hydrophobic covering, the beads absorb any non-polar substance and they can be chemically altered to absorb hot gases. The combination of the absorption and cryogenic insulating properties of aerogel beads have never been studied together. For future cryogenic insulation applications, it is crucial to know how the beads react while immersed in cryogenic liquids, most notably liquid nitrogen. Aerogel beads in loose-fill situation and aerogel blankets with composite fiber structure have been tested for absorption properties. Depending on the type of aerogel used and the preparation, preliminary results show the material can absorb up to seven times its own weight of liquid nitrogen, corresponding to a volumetric ratio of 0.70 (unit volume nitrogen per unit volume aerogel). These tests allow for an estimate on how much insulation is needed in certain situations. The theory behind the different processes of sorption is necessary for a better understanding of the preparation of the beads before they are used in an insulation system.

Johnson, Wesley L.↗

NASA NTRS2017

Monocrystalline Silicon and the Meta-Shell Approach to Building X-Ray Astronomical Optics

Angular resolution and photon-collecting area are the two most important factors that determine the power of an X-ray astronomical telescope. The grazing incidence nature of X-ray optics means that even a modest photon-collecting area requires an extraordinarily large mirror area. This requirement for a large mirror area is compounded by the fact that X-ray telescopes must be launched into, and operated in, outer space, which means that the mirror must be both lightweight and thin. Meanwhile the production and integration cost of a large mirror area determines the economical feasibility of a telescope. In this paper we report on a technology development program whose objective is to meet this three-fold requirement of making astronomical X-ray optics: (1) angular resolution, (2) photon-collecting area, and (3) production cost. This technology is based on precision polishing of monocrystalline silicon for making a large number of mirror segments and on the meta-shell approach to integrate these mirror segments into a mirror assembly. The meta-shell approach takes advantage of the axial or rotational symmetry of an X-ray telescope to align and bond a large number of small, lightweight mirrors into a large mirror assembly. The most important features of this technology include: (1) potential to achieve the highest possible angular resolution dictated by optical design and diffraction; and (2) capable of implementing every conceivable optical design, such as Wolter-I, Wolter-Schwarzschild, as well as other variations to one or another aspect of a telescope. The simplicity and modular nature of the process makes it highly amenable to mass production, thereby making it possible to produce very large X-ray telescopes in a reasonable amount of time and at a reasonable cost. As of June 2017, the basic validity of this approach has been demonstrated by finite element analysis of its structural, thermal, and gravity release characteristics, and by the fabrication, alignment, bonding, and X-ray testing of mirror modules. Continued work in the coming years will raise the technical readiness of this technology for use by SMEX, MIDEX, Probe, as well as major flagship missions.

Zhang, William W.↗

NASA NTRS2011

Possible Responsibility of Silicone Materials for Degradation of the CO2 Removal System in the International Space Station

From data concerning the degradation of the CO2 removal system in the International Space Station (ISS) two important features were apparent: (1) The atmosphere within the International Space Station (ISS) contained many organic compounds including alcohols, halocarbons, aldehydes, esters, and ketones, inter alia. Various cyclosiloxanes Dn, hexamethylcyclotrisiloxane (D3) and its higher homologs (D4) and (D5) are also present presumably due to offgassing. (2) Screens within the zeolite-containing canisters, used for the removal of CO2, exhibited partial clogging due to zeolitic fragments (dust) along with "sticky" residues, that in toto significantly reduced the efficiency of the CO2 removal process. Samples of the ISS fresh zeolite, used zeolite, filter clogging zeolite particles and residual polymeric materials were examined using, inter alia, NMR, EM and HRSEM. These data were compared to equivalent samples obtained prior and subsequent to Dn polymerization experiments performed in our laboratories using the clean ISS zeolite samples as catalyst. Polysiloxane materials produced were essentially equivalent in the two cases and the EM images demonstrate a remarkable similarity between the ISS filter zeolite samples and the post-polymerization zeolite material from our experiments. In this regard even the changes in the Al/Si ratio from the virgin zeolite material to the filter samples and the post-polymerization laboratory samples samples is noteworthy. This research was supported by a contract from the Boeing Company

Baeza, Mario↗

NASA NTRS1982

Semiconductor processing

The primary thrust of the semiconductor processing is outlined. The purpose is to (1) advance the theoretical basis for bulk growth of elemental and compound semiconductors in single crystal form, and (2) to develop a new experimental approaches by which semiconductor matrices with significantly improved crystalline and chemical perfection can be obtained. The most advanced approaches to silicon crystal growth is studied. The projected research expansion, directed toward the capability of growth of 4 inch diameter silicon crystals was implemented. Both intra and interdepartmental programs are established in the areas of process metallurgy, heat transfer, mass transfer, and systems control. Solutal convection in melt growth systems is also studied.

Source record↗

DOE OSTI2024

UN-SiC TRISO Post Irradiation Examination Developmental Work

As part of efforts to strengthen INL?s post irradiation analysis capabilities with non-Advanced Gas Reactor (AGR) tristructural isotropic (TRISO) fuels, two developmental activities were conducted. The first activity was to determine how best to analyze uranium nitride TRISO fuel kernels using electron probe microanalysis, while the second activity focused on developing a method to deconsolidate TRISO fuel particles that have been encased in a silicon carbide matrix. Because these two activities were unrelated, they have been presented separately in this report. Initial EPMA analyses showed nitrogen contents that far exceeded the concentration expected for UN--a line compound. Further examination showed that current literature values for the mass absorption coefficient (MAC) for the N ka X-ray absorbed by U ranged from approximately 1600 to 9500, with most values tending toward 9500. Measuring UN with five different progressively increasing accelerating voltages followed by using the modeling program xMAC suggests the actual MAC is approximately 2115. Additional MAC modifications were required to produce reasonable analytical results. Because of the inaccuracies of necessary MAC coefficients, UN analysis via scanning electron microscopy (SEM) is likely to produce inaccurate results. This is because SEM software does not typically allow the user to alter MACs. Tests have been performed to examine the feasibility of an electrochemical technique to liberate irradiated TRISO fuel from a SiC matrix without damaging the outer pyrolytic carbon layer of the fuel particle. The method is performed by electrochemically exposing the SiC to magnesium metal forming Mg2Si and C. Following exposure, the small SiC samples showed slight mass increases with no evidence of conversion to Mg2Si and C nor obvious degradation of the SiC samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗