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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Nanocasting SiO 2 into metal–organic frameworks imparts dual protection to high-loading Fe single-atom electrocatalysts

Single-atom catalysts (SACs) have sparked broad interest recently while the low metal loading poses a big challenge for further applications. Herein, a dual protection strategy has been developed to give high-content SACs by nanocasting SiO 2 into porphyrinic metal–organic frameworks (MOFs). The pyrolysis of SiO 2 @MOF composite affords singleatom Fe implanted N-doped porous carbon (FeSA–N–C) with high Fe loading (3.46 wt%). The spatial isolation of Fe atoms centered in porphyrin linkers of MOF sets the first protective barrier to inhibit the Fe agglomeration during pyrolysis. The SiO 2 in MOF provides additional protection by creating thermally stable FeN4/SiO 2 interfaces. Thanks to the high-density FeSA sites, FeSA–N–C demonstrates excellent oxygen reduction performance in both alkaline and acidic medias. Meanwhile, FeSA–N–C also exhibits encouraging performance in proton exchange membrane fuel cell, demonstrating great potential for practical application. More far-reaching, this work grants a general synthetic methodology toward high-content SACs (such as FeSA, CoSA, NiSA). https://doi.org/10.1038/s41467-020-16715-6 OPEN 1

36 MATERIALS SCIENCE↗
DOE OSTI2021

Room temperature facile synthesis of olivine-Co 2 SiO 4 nanoparticles utilizing a mechanochemical method

Co 2 SiO 4 is a ceramic pigment and promising battery material of significant technological interest, as well as a model end-member of one of the most important mineral families in the Earth's crust and upper mantle. All previously developed methods for synthesis of Co 2 SiO 4 require high-temperature processing, which promotes grain growth, while the nanocrystalline form is required for some important technological applications. Here, we report a successful method for synthesizing nanocrystalline Co 2 SiO 4 via a simple and inexpensive high-energy ball milling mechanochemical process. Products of the synthesis were characterized by a combination of XRD and TEM, and their crystal structures and elemental compositions are reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Magnetic properties of the quasi-XY Shastry-Sutherland magnet ER 2 Be 2 SiO 7

Polycrystalline and single-crystal samples of the insulating Shastry-Sutherland compound Er 2 ⁢Be 2 ⁢SiO 7 were synthesized via a solid-state reaction and the floating zone method, respectively. The crystal structure, Er single-ion anisotropy, zero-field magnetic ground state, and magnetic phase diagrams along high-symmetry crystallographic directions were investigated with bulk measurement techniques, x-ray and neutron diffraction, and neutron spectroscopy. Here, we establish that Er 2 ⁢Be 2 ⁢SiO 7 crystallizes in a tetragonal space group with planes of orthogonal Er dimers and a strong preference for the Er moments to lie in the local plane perpendicular to each dimer bond. We also find that this system has a noncollinear ordered ground state in zero field with a transition temperature of 0.841 K consisting of antiferromagnetic dimers and in-plane moments. Finally, we mapped out the H-T phase diagrams for Er 2 ⁢Be 2 ⁢SiO 7 along the directions H ∥ [001], [100], and [110]. While an increasing in-plane field simply induces a phase transition to a field-polarized phase, we identify three metamagnetic transitions in the H ∥ [001] case. Single-crystal neutron diffraction results reveal that the H ∥ [001] phase diagram can be explained predominantly by the expected field-induced behavior of classical, anisotropic moments, although the microscopic origin of one phase requires further investigation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The structure of CaO–MgO–Al 2 O 3 –SiO 2 melts and glasses doped with FeO X –NiO

Neutron and x-ray diffraction measurements have been performed on CaO–MgO–Al 2 O 3 –SiO 2 (CMAS) glasses doped with NiO–Fe X O at room temperature, along with x-ray measurements on aerodynamically levitated liquids at ≥2000 K. The disordered structures have been modeled using empirical potential structure refinement to investigate the relation between the aluminosilicate network and the modifying cations. The SiO 4 and AlO 4 tetrahedra are found to have wider Si–O and Al–O bond distance distributions in the glass, and the first Ca–O n coordination shell is highly distorted, redistributing different populations of long and short bonds between the liquid and the glass. The addition of Fe and Ni at low aluminosilicate content increases the number of free oxygens not bonded to AlO 4 or SiO 4 . Mg–O and Fe–O are both found to be predominantly fourfold and fivefold in the liquid and glassy states. Despite these low coordination numbers, their bond angle distributions indicate that they are predominantly in nontetrahedral-type geometries, with ferrous and ferric iron possessing similar coordination environments. The Ca–O and Mg–O average coordination numbers and enthalpies of solution are consistent with their higher reactivity within relatively acidic aluminosilicate melts.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Elastic Properties of β-Mg 2 SiO 4 Containing 0.73 wt.% of H 2 O to 10 GPa and 600 K by Ultrasonic Interferometry with Synchrotron X-Radiation

Here, we measured the elastic velocities of a synthetic polycrystalline β-Mg 2 SiO 4 containing 0.73 wt.% H 2 O to 10 GPa and 600 K using ultrasonic interferometry combined with synchrotron X-radiation. Third-order Eulerian finite strain analysis of the high P and T data set yielded K so = 161.5(2) GPa, G o = 101.6(1) GPa, and (∂K s /∂P) T = 4.84(4), (∂G/∂P) T = 1.68(2) indistinguishable from K so = 161.1(3) GPa, G o = 101.4(1) GPa, and (∂K s /∂P) T = 4.93(4), (∂G/∂P) T = 1.73(2) from the linear fit. The hydration of the wadsleyite by 0.73 wt.% decreases K s and G moduli by 5.3% and 8.6%, respectively, but no measurable effect was noted for (∂K s /∂P) T and (∂G/∂P) T . The temperature derivatives of the K s and G moduli from the finite strain analysis (∂K S /∂T) P = –0.013(2) GPaK –1 , (∂G/∂T) P = –0.015(0.4) GPaK –1 , and the linear fit (∂K S /∂T) P = –0.015(1) GPaK –1 , (∂G/∂T) P = –0.016(1) GPaK –1 are in agreement, and both data sets indicating the |(∂G/∂T) P | to be greater than |(∂K S /∂T) P |. Calculations yield ΔV p(α-β) = 9.88% and ΔV S(α-β) = 8.70% for the hydrous β-Mg 2 SiO 4 and hydrous α-Mg 2 SiO 4 , implying 46–52% olivine volume content in the Earth’s mantle to satisfy the seismic velocity contrast ΔV s = ΔV P = 4.6% at the 410 km depth.

58 GEOSCIENCES↗
NASA NTRS1986

A 43GHz VLBI mapping of SiO maser emission associated with Orion-KL IRC-2

A milliarcsecond resolution spot map of the SiO maser emission associated with IRC-2 in Orion-KL is presented. The two dominant groups of spectral features, near V(LRS) = -6 and 16 km/s, were observed in the 43 GHz, v = 1 to 0 transition of SiO, using a Mark III VLBI system. The 74 km baseline ran from Haystack Observatory in Westford, Massachusetts to Five College Radio Astronomy Observatory (FCRAO) in New Salem, Massachusetts. Five distinct maser features were observed: -8.5 to -6.5 km/s; -5 to -1.5 km/s; 12 to 13.5 km/s; 16.5 to 19 km/s; and 20 to 21 km/s (stellar velocity = 5 km/s). The relative positions were established, from an analysis of fringe phases, to an accuracy of about 5 milliarcseconds. All the features lay within an area of radius 0.08 arcseconds or 6x10(14) cm, at a distance of 500 pc. Previous interferometric studies were only able to measure the gross separation between the red and the blue shifted groups. Our measurement of the separation between these two gropus is consistent with those of the previous studies, indicating the persistence of these two centers of activity. The absolute positions of the masers with respect to IRC-2 are only known to an accuracy of about 1 arcsecond. It is assumed that IRC-2 is centered between the red shifted and the blue shifted maser features. The relative placement of these two groups of maser features agrees with observations of thermal emission from SO, which traces the outflow on a much larger scale. The SiO masers trace the neutral outflow from IRC-2 on the smallest scale yet observed.

Greenhill, L. J.↗
NASA NTRS1990

Comparisons of SiO maser and long-period variable positions in the R Aquarii and Omicron Ceti binary systems

It has been determined that the absolute position of the centroid of SiO maser-emitting spots toward both R Aqr and Omicron Cet are coincident with the position of the long-period variables (LPVs) in these binary systems to within the errors of measurement. The SiO positions were determined with the Hat Creek interferometer, while the LPV positions were determined with the 8-in transit circle of the US Naval Observatory. These results contradict an earlier report of a circumbinary SiO maser far removed from the LPV in the R Aqr binary system; statistical reasons for the discrepancy are suggested. High-resolution spectra of both sources are presented and possible models are discussed.

Hollis, J. M.↗
NASA NTRS2018

Unmanned Aircraft Systems (UAS) Integration in the National Airspace System (NAS) Project - Systems Integration and Operationalization (SIO) Demonstration

The UAS-NAS Project hosted a Systems Integration Operationalization (SIO) Industry Day for the SIO Request for Information (RFI) on November 30, 2017 in San Diego, California. This presentation is being presented to the same group as a follow up regarding the progress that the UAS-NAS project has made on the SIO RFI. The presentation will be virtual with a teleconference

outreach↗
NASA NTRS2021

GA-ASI Final Report and Program Wrap-up for NASA System Integration and Operationalization (SIO)

The NASA SIO demonstration flight of April 3, 2020 represents a successful culmination of 18 months of coordinated effort between GA-ASI, NASA, the FAA, Collins Aerospace, and Honeywell Aerospace to operate a Medium Altitude, Long Endurance (MALE) Unmanned Aircraft System (UAS) safely in the National Airspace System (NAS) using industry leading prototype technologies. The GA-ASI team consisted of technical experts, program managers, engineers, mechanics, flight technicians, flight crews, and numerous other subject matter experts. This final report describes the most significant and potentially impactful aspects of the planning, integration, test, and flight aspects of this effort. GA-ASI successfully integrated the key technologies needed for UAS to fly in the NAS onto our prototype SkyGuardian UAS, which was designed to meet the most stringent airworthiness standards applicable to an aircraft of its size category. A proven Detect and Avoid (DAA) system, developed by GA-ASI and utilizing Honeywell Aerospace technology was integrated onto SkyGuardian for the first time, along with datalink radios from Collins Aerospace that meet the new civil standard for Control and Non-Payload Communication (CNPC) links. GA-ASI also obtained approvals from the FAA and FCC to operate the reconfigured UAS. The SIO demonstration flight represented a commercial aerial surveying operation conducted at medium altitude (>10,000ft above mean sea level). The aircraft’s onboard sensors were used to capture photographic, infrared and radar imagery of public and commercial infrastructure and land, and to subsequently produce the types of data products that would provide business value to potential customers. These survey services would supplement or replace services currently provided by manned airplanes and helicopters, small drones or satellites. A “virtual” mission was also planned, to show what additional survey data could have been captured during the flight if additional sensors had been installed on the aircraft’s external hardpoints. This revision of the final report focuses on information of value to the wider UAS community, and avoids propriety data to facilitate broad dissemination. It also includes a description of GA-ASI’s engagement with the FAA following the SIO flight, which led to the award of an updated Special Airworthiness Certificate in the Experimental Category (SAC-EC) and a Certificate of Waiver or Authorization (COA) allowing operation of the SkyGuardian UAS using its DAA system to satisfy right-of-way rules, instead of a chase plane. The associated operational limitations are described to illustrate the further steps that would be needed to remove those limitations for unhindered commercial operations.

Flight demonstration↗
DOE OSTI2020

Materials Data on SiO by Materials Project

SiO crystallizes in the hexagonal P6_422 space group. The structure is one-dimensional and consists of three SiO ribbons oriented in the (1, 0, 0) direction. Si is bonded in a water-like geometry to two equivalent O atoms. Both Si–O bond lengths are 1.66 Å. O is bonded in a distorted bent 120 degrees geometry to two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaMg(SiO)2 by Materials Project

CaMg(SiO)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two CaMg(SiO)2 ribbons oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Ca–O bond lengths are 2.36 Å. Mg2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (1.99 Å) and two longer (2.04 Å) Mg–O bond lengths. Si is bonded in a single-bond geometry to one O2- atom. The Si–O bond length is 1.70 Å. O2- is bonded to one Ca2+, two equivalent Mg2+, and one Si atom to form a mixture of distorted edge and corner-sharing OCaMg2Si trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf(SiO)2 by Materials Project

Hf(SiO)2 crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of eight Hf(SiO)2 clusters. Hf4+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hf–O bond lengths are 2.01 Å. Si is bonded in a single-bond geometry to one O2- atom. The Si–O bond length is 1.64 Å. O2- is bonded in a bent 120 degrees geometry to one Hf4+ and one Si atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th(SiO)2 by Materials Project

Th(SiO)2 crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of eight Th(SiO)2 clusters. Th4+ is bonded in a linear geometry to two equivalent O2- atoms. Both Th–O bond lengths are 2.14 Å. Si is bonded in a single-bond geometry to one O2- atom. The Si–O bond length is 1.72 Å. O2- is bonded in a water-like geometry to one Th4+ and one Si atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Syntheses and Crystal Structures of Rare-Earth Oxyapatites Ca 2 RE 8 (SiO 4 ) 6 O 2 (RE = Pr, Tb, Ho, Tm)

Four different rare-earth oxyapatites of Ca 2 RE 8 (SiO 4 ) 6 O 2 (RE = Pr, Tb, Ho, Tm) were synthesized using a solution-based method followed by drying, calcination, and high-temperature sintering in air. X-ray powder diffraction and Raman spectroscopy were performed on the synthesized oxyapatites. Here, the RE oxyapatites crystallize in the hexagonal space group P6 3 /m with similar unit cell parameters, increasing linearly with larger RE cations. The unit cell volumes increase linearly whereas the densities decrease nonlinearly with larger RE cations. Raman spectra showed intense bands of the symmetric bending and stretching modes of SiO 4 at ~ 400 and 860 cm -1 regions, respectively. The bands generally shifted to higher frequencies with smaller RE cations in the structures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Finite Element Modeling of the Phase Change in Thermally-Grown SiO 2 in SiC Systems for Gas Turbines

The operating lifetimes of SiC-based components in combustion environments are directly linked to the adhesion of the protective environmental barrier coating (EBC) layer. One of the major known failure modes for EBCs is the formation of a thick SiO 2 thermally grown oxide (TGO), which decreases coating adhesion and encourages eventual coating spallation. The effect of the TGO thickness under Yb 2 Si 2 O 7 EBCs on silicon carbide was investigated using finite element models (FEMs) with various interfacial architectures and SiO 2 TGO thicknesses. Further, the FEMs incorporated a user-defined material to simulate the volume contraction of the TGO during the silica phase transformation from β-cristobalite to α-cristobalite upon cooling from the stress-free state at 1350°C to room temperature. Systems with and without a silicon bond coating intermediary layer were assessed. It was shown that the TGO phase transformation stress (1.6–1.7 GPa) dominated the increase in stress in the TGO and EBC layers. Furthermore, it was found that stress increase in the TGO was independent of TGO thickness and interface geometry. These results indicate that stabilization of the TGO to mitigate the phase transformation could dramatically improve the performance of SiC-base components with EBCs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Predicting CaO-(MgO)-Al2O3-SiO2 glass reactivity in alkaline environments from force field molecular dynamics simulations

In this investigation, force field-based molecular dynamics (MD) simulations have been employed to generate detailed structural representations for a range of amorphous quaternary CaO-MgO-Al{sub 2}O{sub 3}-SiO{sub 2} (CMAS) and ternary CaO-Al{sub 2}O{sub 3}-SiO{sub 2} (CAS) glasses. Comparison of the simulation results with select experimental X-ray and neutron total scattering and literature data reveals that the MD-generated structures have captured the key structural features of these CMAS and CAS glasses. Based on the MD-generated structural representations, we have developed two structural descriptors, specifically (i) average metal oxide dissociation energy (AMODE) and (ii) average self-diffusion coefficient (ASDC) of all the atoms at melting. Both structural descriptors are seen to more accurately predict the relative glass reactivity than the commonly used degree of depolymerization parameter, especially for the eight synthetic CAS glasses that span a wide compositional range. Hence these descriptors hold great promise for predicting CMAS and CAS glass reactivity in alkaline environments from compositional information.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Superhydrophobic to superhydrophilic wettability transition of functionalized SiO 2 nanoparticles

The superhydrophobic and superhydrophilic surfaces and their transitions are of great interest for the production of self-cleaning, anti-biofouling, or corrosion-resistant materials. This research reports the wettability transition from superhydrophobic to superhydrophilic SiO 2 nanoparticles functionalized with 1H, 1H, 2H, 2H-perfluorooctyltriethoxysilane (POTS) and induced by temperature. The functionalization of these nanoparticles was confirmed by Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy. The functionalization of SiO 2 nanoparticles with POTS resulted in superhydrophobic surfaces with water contact angles up to 157°. A sudden transition to superhydrophilic behavior with water contact angles (WCA) below 5° was observed when the sample was heat-treated at 500 °C, despite the presence of fluorine on the surface of these nanoparticles, as confirmed by XPS and transmission electron microscopy. XPS suggested that the transition was caused by the change in orientation of the fluoroalkyl molecules and its partial decomposition due to the loss of the –CF 3 group, resulting in shorter chains with a tail-end group with C–O bonds, which promoted the superhydrophilicity.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dilute Pd-in-Au alloy RCT-SiO 2 catalysts for enhanced oxidative methanol coupling

Dilute alloy catalysts have the potential to enhance selectivity and activity for large-scale reactions. Highly dilute Pd-in-Au nanoparticle alloys partially embedded in porous silica (“raspberry colloid templated” (RCT)-SiO 2 ) prove to be robust and selective catalysts for oxidative coupling of methanol. Palladium concentrations in the bimetallic nanoparticles as low as ~3.4 at.% catalyze the production of methyl formate with a selectivity of ~95% at conversions of ~55%, whereas conversions are low (<10%) for ~1.7 at.% Pd-in-Au nanoparticle and pure Au nanoparticle catalysts. Fractional reaction orders for both CH 3 OH and O 2 measured for ~3.4 at.% Pd-in-Au nanoparticles supported on RCT-SiO 2 indicated a complex mechanism in which the sites for O 2 dissociation are not saturated. Optimal methyl formate production was found for an equimolar mixture. There is no conversion of methanol in the absence of O 2 between 360 and 450 K. Finally, all observations are consistent with a mechanism derived from model studies, requiring that clusters of Pd be available on the catalyst for O 2 dissociation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗