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At least 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

FUV Reflectance of Recently Prepared Al Protected with AlF3: COR Program Technology Development

Astronomical observations in the Far Ultraviolet (FUV) spectral region are some of the more challenging due to the very distant and faint objects that are typically searched for in cosmic origin studies such as origin of large scale structure, the formation, evolution, and age of galaxies and the origin of stellar and planetary systems. These challenges are driving the need to improve the performance of optical coatings over a wide spectral range that would increase reflectance in mirrors and reduced absorption in dielectric filters used in optical telescope for FUV observations. This paper will present recent advances in reflectance performance for Al+AlF3 mirrors optimized for Lyman-alpha wavelength by performing the deposition of the AlF3 overcoat at elevated substrate temperatures.

MOS"↗
DOE OSTI2020

Materials Data on AlF3 by Materials Project

AlF3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. There are a spread of Al–F bond distances ranging from 1.80–1.85 Å. In the second Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedra tilt angles range from 0–29°. There is four shorter (1.81 Å) and two longer (1.82 Å) Al–F bond length. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Al3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Al3+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlF3 by Materials Project

AlF3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Al–F bond distances ranging from 1.78–2.24 Å. In the second Al3+ site, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are a spread of Al–F bond distances ranging from 1.73–1.88 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Al3+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Al3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Al3+ atoms. In the fifth F1- site, F1- is bonded in a water-like geometry to two Al3+ atoms. In the sixth F1- site, F1- is bonded in a water-like geometry to two Al3+ atoms.

36 MATERIALS SCIENCE↗
NASA NTRS1991

A parallel vectorized implementation of triple excitations in CCSD(T) - Application to the binding energies of the AlH3, AlH2F, AlHF2 and AlF3 dimers

An efficient method for various noniterative estimates of connected triple excitations in coupled-cluster theory is outlined and related to a similar expression occurring in Moller-Plesset perturbation theory. The method is highly vectorized and capable of utilizing multiple processors on a shared-memory machine, leading to computational rates in excess of one billion floating-point operations per second on four processors of a CRAY Y-MP. Using the new procedure, the binding energies of the D(2h) diborane-type dimers of AlH3, AlH2F, AlHF2, and AlF3 have been determined to be 32, 40, 20, and 47 kcal/mol, respectively. For Al2F6, the correlation procedure includes 232 molecular orbitals and over 1.5 x 10 to the 6th single and double coupled-cluster amplitudes, effectively accounting for over 2 x 10 to the 9th connected triple excitations.

Rendell, Alistair P.↗
DOE OSTI2020

Materials Data on AlF3 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2021

Room temperature plasma-etching and surface passivation of far-ultraviolet Al mirrors using electron beam generated plasmas

The development of optical systems operating in the far ultraviolet range (FUV, λ=100-200 nm) is limited by the efficiency of passivated aluminum (Al) mirrors. Although it is presently possible to obtain high-reflectivity FUV mirrors through physical vapor deposition, the process involves deposition with substrates at high temperatures, which is technically challenging for large optical elements. A novel passivation procedure for bare Al mirrors is reported. The treatment consisted of using a low-temperature electron-beam generated plasma produced in a gas mixture of Ar and SF6 to etch away the native oxide layer from the Al film, while simultaneously promoting the generation of a thin aluminum tri-fluoride (AlF3) layer on the Al surface. In the first section we analyze the effect of varying both ion energy and SF6 concentration on the FUV reflectance, thickness, composition, and surface morphology of the resulting AlF3 protective layers. In the second section, the reflectivity of samples is optimized at selected important FUV wavelengths for astronomical observations. Notably, samples attained state-of-the-art reflectances of 75% at 108.5 nm (He Lyman γ), 91% at 121.6 nm (H Lyman α), 90% at 130.4 nm (OI), and of 95% at 155.0 nm (C IV). The stability over time of these passivated mirrors is also investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1980

The effect on the kinetics of pack aluminization of varying the activator

The effect on the kinetics of pack aluminization of nickel of varying the activator type was investigated using AlF3, NaF, NaCl and NaI as activators. The rate of aluminization was highest in packs activated with AlF3 and NaF, and lowest in those activated with NaCl and NaI. The results were in good accordance with predictions of the combined gas-solid diffusion theory of pack aluminization.

Gupta, B. K.↗
NASA NTRS1984

Crystallization of heavy metal fluoride glasses

The kinetics of crystallization of a number of fluorozirconate glasses were studied using isothermal and dynamic differential scanning calorimetry and X-ray diffraction. The addition of the fluorides LiF, NaF, AlF3, LaF3 to a base glass composition of ZrF4-BaF2 reduced the tendency to crystallize, probably by modifying the viscosity-temperature relation. ZrF4-BaF2-LaF3-AlF3-NaF glass was the most stable against devitrification and perhaps is the best composition for optical fibers with low scattering loss. Some glasses first crystallize out into metastable beta-BaZr2F10 and beta-BaZrF6 phases, which transform into the most stable alpha-phases when heated to higher temperatures. The size of the crystallites was estimated to be about 600 A from X-ray diffraction.

Bansal, Narottam P.↗
NASA NTRS2017

Enhanced Aluminum Reflecting and Solar-Blind Filter Coatings for the Far-Ultraviolet

The advancement of far-ultraviolet (FUV) coatings is essential to meet the specified throughput requirements of the Large UV/Optical/IR (LUVOIR) Surveyor Observatory which will cover wavelengths down to the 100 nm range. The biggest constraint in the optical thin film coating design is attenuation in the Lyman-Alpha Ultraviolet range of 100-130 nm in which conventionally deposited thin film materials used in this spectral region (e.g. aluminum [Al] protected with Magnesium fluoride [MgF2]) often have high absorption and scatter properties degrading the throughput in an optical system. We investigate the use of optimally deposited aluminum and aluminum tri-fluoride (AlF3) materials for reflecting and solar blind band-pass filter coatings for use in the FUV. Optical characterization of the deposited designs has been performed using UV spectrometry. The optical thin film design and optimal deposition conditions to produce superior reflectance and transmittance using Al and AlF3 are presented.

optical thin films↗
NASA NTRSDate not supplied

Advanced Al Mirrors Protected with LiF Overcoat to Realize Stable Mirror Coatings for Astronomical Telescopes

Pure Aluminum (Al) exhibits intrinsic high reflectance over the proposed Large UV/Optical/IR (LUVOIR) Surveyor observatory target spectral range (90-2500 nm). However, Al coatings have to be protected from oxygen exposure in order to prevent the formation of the naturally occurring Al2O3 oxide layer, which limit performance for use only above 160 nm. Aluminum protected with fluorides such as LiF or MgF2 have been the most commonly used solutions. But below 102 nm and down to 90 nm, no transparent material is available to protect Al and coating mirror reflectance stays below 40%. But even above 102 nm, the reflectance of protected Al is limited by the residual absorption of the fluoride overcoats. Hence, this paper will report on recent advances in producing enhanced Al-based mirror coatings with the highest possible far-ultraviolet (FUV) reflectance, while exhibiting a more stable LiF protection layer. The process starts with a bare optically smooth glass substrate that is coated with Al in an ultra-high vacuum chamber by using the physical vapor deposition (PVD) process, which has been shown to provide the best aluminum thin-films when compared to other approaches. The next step is done by in-situ exposure of the freshly made Al film to a reactive XeF2 gas that will grant a thin AlF3 overcoat (2-3 nm) to the Al film that prevents further oxidation. This fluorinated Al film is then coated with a final layer of a LiF metal-fluoride overcoat. The coating process is finalized with a second exposure to the XeF2 precursor gas. The preparation of these mirror coatings will be studied and analyzed as a function of the XeF2 exposure time and deposition rate of the LiF layer during the PVD process. This paper will present and discuss characterization of a number of Al+XeLiF witness coupons produced with this reactive PVD (rPVD) process. These studies include characterization of specular reflectance in the 90-2500 nm spectral range, micro-roughness, long-term stability, as well as polarization characteristics in the visible and near-infrared spectral regions. These studies have been performed in order to demonstrate the improved reflectance performance, longer durability, and less hygroscopic nature of protected Al mirrors produced with the rPVD process (through exposure to XeF2) and in comparison with the standard PVD process.

optics↗
DOE OSTI2021

Ab-Initio Simulation Studies of Cr Solvation in Fluoride Molten Salts

Understanding molten salt chemistry is essential in ongoing research of the molten salt nuclear reactor (MSR). In this context, detailed understanding of the mechanisms underlying selective oxidation of metal species, such as Cr, is required to guide the design of effective corrosion mitigation strategies in molten salts. An important starting point for such mechanistic understanding is knowledge of the solvation structure and its role in controlling metal speciation. In this work, we use ab initio molecular dynamics simulations to study the short-range (on the scale of the nearest-neighbor bond lengths) and medium-range (over length scales of several neighbor spacings) structure in three different fluoride melts with and without Cr addition; namely, 2KF-NaF, 2LiF-BeF 2 , and 3LiF-AlF3. We find that Cr 0 ,Cr 2+ ,Cr 3+ can each be coordinated by different numbers of F-, with the variance in coordination number decreasing as oxidation state increases, and that these coordination geometries are largely independent of solvent. The manner by which Cr changes the medium-range structure, however, is found to be solvent-dependent. While 2KF-NaF melts show short and medium range order that is highly dynamic, 2LiF-BeF 2 and 3LiF-AlF 3 are characterized by molecular associates that are relatively long-lived that organize into oligomer structures on larger length scales. Rather than being solvated by F- ions alone, we find that Cr can incorporate into and be solvated within this oligomer structure. Fluoroacidity, alone, may therefore prove too simple a metric for assessing the corrosivity of molten fluorides. As our work suggests, the ability of Cr to solvate must be understood in the context of the short- and medium-range structure of the solvent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Semiconductor grade, solar silicon purification project

The potential for a three step SiF2 polymer transport purification process was examined. The process involves reacting low cost mg silicon with SiF4 to yield SiF2 gas which is condensed to form polymeric (SiF2)x. The polymer is then heated above 400 C to yield Si, SiF4 and higher Si sub n F sub 2n+2 homologues. This report presents and discusses continuing progress on (1) observations on (SiF2)x polymer formation and depolymerization on the small coil, (2) mass balance studies, (3) partial pressures of SiF2 and SiF4, (4) AlF3 mass spectral studies, and (5) material analysis studies.

Ingle, W. M.↗
NASA NTRS1987

Fluoride glass starting materials - Characterization and effects of thermal treatment

The production of heavy metal fluoride (HMF) glasses, and the effects of thermal treatments on the HMF glasses are investigated. ZrF4, BaF2, AlF3, LaF3, and NaF were utilized in the synthesis of zirconium-barium-lanthanum-aluminum-sodium fluoride glass. The purity of these starting materials, in particular ZrF4, is evaluated using XRD analysis. The data reveal that low temperature heating of ZrF4-H2O is effective in removing the water of hydration, but causes the production of ZrF4 and oxyfluorides; however, dehydration followed by sublimation results in the production of monoclinic ZrFe without water or oxyfluoride contaminants.

Chen, William↗
NASA NTRS1993

Mullite Whiskers and Mullite-whisker Felt

The Naval Surface Warfare Center has developed processes for the preparation of mullite (3(Al2O3)(dot)2(SiO2)) whiskers and mullite-whisker felt. Three patents on the technology were issued in 1990. The processes are based on chemical reactions between AlF3, Al2O3, and SiO2. The felt is formed in-situ during the processing of shaped powdered precursors. It consists of randomly oriented whiskers which are mutually intergrown forming a rigid structure. The microstructure and properties of the felt and size of the whiskers can be modified by varying the amount of Al2O3 in the starting mixture. Loose mullite whiskers can be used as a reinforcement for polymer-, metal-, and ceramic-matrix composites. The felt can be used as preforms for fabricating composite materials as well as for thermal insulation and high temperature, chemically stable filters for liquids (melts) and gases.

Talmy, Inna G.↗
NASA NTRS1998

Effects of Gravity on Crystallization of Fluorozircante Optical Fibers

ZBLAN (ZrF4-BaF2-LaF3-AlF3-NaF) optical fibers were flown on NASA's reduced gravity KC135 aircraft and Conquest I sub-orbital rocket. The purpose of these experiments was to determine the effects of gravity on the crystallization process of this material. Fiber samples encapsulated in evacuated quartz ampoules were heated to the crystallization temperature during flight in reduced gravity and on the ground in unit gravity. Scanning electron and transmission electron microscopy were utilized to study the crystallization behavior. Samples heated under unit gravity conditions exhibited significant crystallization, while fibers heated to the crystallization temperature in reduced gravity showed no signs of crystallization. A mechanism based on microcellular convection is proposed to explain these observed behaviors.

Tucker, D. S.↗
NASA NTRS1998

Commercial Production of Heavy Metal Fluoride Glass Fiber in Space

International Space Station Alpha (ISSA) will provide a platform not only for materials research but also a possible means to produce products in space which cannot be easily produced on the ground. Some products may even be superior to those now produced in unit gravity due to the lack of gravity induced convection effects. Our research with ZrF4-BaF2-LaF3-AlF3-NaF (ZBLAN glass) has shown that gravity does indeed play a major role in the crystallization behavior of this material. At the present time ZBLAN is being produced on earth in fiber optic form for use in surgical lasers and fiber optic lasers among other applications. High attenuation coefficients, however, have kept this material from being used in other applications such as long haul data transmission links. The high attenuation coefficients are due to impurities which can be removed through improved processing techniques and crystals which can only be removed or prevented from forming by processing in a reduced gravity environment.

Tucker, Dennis S.↗
NASA NTRS2001

Is the Lamb shift chemically significant?

The contribution of the Lamb shift to the atomization energies of some prototype molecules, BF3, AlF3, and GaF3, is estimated by a perturbation procedure. It is found to be in the range of 3-5% of the one-electron scalar relativistic contribution to the atomization energy. The maximum absolute value is 0.2 kcal/mol for GaF3. These sample calculations indicate that the Lamb shift is probably small enough to be neglected for energetics of molecules containing light atoms if the target accuracy is 1 kcal/mol, but for higher accuracy calculations and for molecules containing heavy elements it must be considered.

Dyall, Kenneth G.↗