Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “ScN”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 109 records · Page 6

Epitaxial growth of rock salt MgZrN 2 semiconductors on MgO and GaN

Ternary nitride compound semiconductors have attracted recent attention as electronic materials since their properties can be tuned by cation stoichiometry and ordering. A recently discovered example is MgZrN 2 , a ternary analog to the rock salt semiconductor ScN. MgZrN 2 has a larger bandgap and stronger dielectric response than the binary compound. Polycrystalline thin films of MgZrN 2 have been studied, but demonstration of high-quality growth is still required to establish its suitability for technological applications. Here, we report on epitaxial growth of MgZrN 2 thin films on (100) and (111) MgO substrates and (001) GaN templates. The MgZrN 2 composition is confirmed by Rutherford backscattering spectrometry, showing no oxygen in the film except for a thin surface oxide layer. Epitaxial growth results in MgZrN 2 with x-ray diffraction rocking curves with a full-width at half-maximum in the range of 0.3–3.0°, depending on the substrate. Transmission electron microscopy analysis of the MgZrN 2 film grown on a (111) MgO substrate confirms epitaxial growth and shows a sharp film/substrate interface. In-plane temperature-dependent Hall effect measurements show that the material is an n-type semiconductor with a relatively high concentration ( n 300K ≈ 10 19 –10 20 cm -3 ) of thermally activated electrons. Room-temperature transport measurements show a conductivity of 25 S cm -1 and a Seebeck coefficient of -80 μ V K -1 . Overall, these results provide an important step toward integration of rock salt MgZrN 2 with other technological nitrides for device applications.

36 MATERIALS SCIENCE↗

Femtosecond intramolecular rearrangement of the CH 3 NCS radical cation

Strong-field ionization, involving tunnel ionization and electron rescattering, enables femtosecond time-resolved dynamics measurements of chemical reactions involving radical cations. Here, we compare the formation of CH 3 S + following the strong-field ionization of the isomers CH 3 SCN and CH 3 NCS. The former involves the release of neutral CN, while the latter involves an intramolecular rearrangement. Here, we find the intramolecular rearrangement takes place on a single picosecond timescale and exhibits vibrational coherence. Density functional theory and coupled-cluster calculations on the neutral and singly ionized species help us determine the driving force responsible for intramolecular rearrangement in CH 3 NCS. Our findings illustrate the complexity that accompanies radical cation chemistry following electron ionization and demonstrate a useful tool for understanding cation dynamics after ionization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Materials Data on SrC2(SN)2 by Materials Project

Sr(SCN)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Sr–N bond lengths. There are two shorter (3.20 Å) and two longer (3.28 Å) Sr–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.62 Å. N3- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one C4+ atom. S2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on BaC2(SN)2 by Materials Project

Ba(SCN)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. All Ba–N bond lengths are 2.87 Å. There are two shorter (3.34 Å) and two longer (3.41 Å) Ba–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.63 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one C4+ atom. S2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on PbC2(SN)2 by Materials Project

Pb(SCN)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent S2- atoms. There are two shorter (2.72 Å) and two longer (2.74 Å) Pb–N bond lengths. There are two shorter (3.10 Å) and two longer (3.23 Å) Pb–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.62 Å. N3- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom. S2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on ZnHgC4(SN)4 by Materials Project

ZnHg(SCN)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Hg–S bond lengths are 2.62 Å. Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 1.97 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on FeHgC4(SN)4 by Materials Project

FeHg(SCN)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Fe2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Fe–N bond lengths are 1.95 Å. Hg2+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Hg–S bond lengths are 2.64 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.63 Å. N3- is bonded in a linear geometry to one Fe2+ and one C4+ atom. S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on MnHgC4(SN)4 by Materials Project

MnHg(SCN)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Mn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Mn–N bond lengths are 2.03 Å. Hg2+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Hg–S bond lengths are 2.63 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.63 Å. N3- is bonded in a linear geometry to one Mn2+ and one C4+ atom. S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on ZnCdC4(SN)4 by Materials Project

ZnCd(SCN)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Cd–S bond lengths are 2.60 Å. Zn2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Zn–N bond lengths are 1.97 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. N3- is bonded in a linear geometry to one Zn2+ and one C4+ atom. S2- is bonded in a water-like geometry to one Cd2+ and one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on CdHgC4(SN)4 by Materials Project

CdHg(SCN)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Hg–S bond lengths are 2.63 Å. Cd2+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Cd–N bond lengths are 2.20 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.64 Å. N3- is bonded in a linear geometry to one Cd2+ and one C4+ atom. S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on CdHg3C6S6(N3Cl)2 by Materials Project

Hg3CdCl2(SCN)6 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to two S2- and two equivalent Cl1- atoms. There are one shorter (2.48 Å) and one longer (2.51 Å) Hg–S bond lengths. There are one shorter (2.73 Å) and one longer (2.85 Å) Hg–Cl bond lengths. In the second Hg2+ site, Hg2+ is bonded in a distorted rectangular see-saw-like geometry to two S2- and two Cl1- atoms. There are one shorter (2.48 Å) and one longer (2.50 Å) Hg–S bond lengths. There are one shorter (2.79 Å) and one longer (2.84 Å) Hg–Cl bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are three shorter (2.35 Å) and three longer (2.37 Å) Cd–N bond lengths. In the second Cd2+ site, Cd2+ is bonded in an octahedral geometry to six N3- atoms. There are three shorter (2.35 Å) and three longer (2.38 Å) Cd–N bond lengths. There are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one N3- and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.66 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.66 Å. In the third C4+ site, C4+ is bonded in a linear geometry to one N3- and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.66 Å. In the fourth C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C4+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C4+ atom. In the third N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C4+ atom. In the fourth N3- site, N3- is bonded in a linear geometry to one Cd2+ and one C4+ atom. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to one Hg2+ and one C4+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom. In the third S2- site, S2- is bonded in a distorted water-like geometry to one Hg2+ and one C4+ atom. In the fourth S2- site, S2- is bonded in a water-like geometry to one Hg2+ and one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal non-coplanar geometry to three equivalent Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Hg2+ atoms.

36 MATERIALS SCIENCE↗

Enhanced Tritium Retention in LiAlO2 Pellets via Engineered Glazes: Tritium Science Project

This project investigated the impact of adding a thin (10 – 50 µm) layer of amorphous glaze to the surface of a TPBAR pellet on its retention of helium, hydrogen (as a surrogate for tritium), and water (as a surrogate for tritiated water). The hypothesis was that the glaze would significantly reduce permeation of hydrogen species with a lesser impact on hindering helium permeation. A non-crystallizing soda-lime-silicate glass, known as SCN-1, was selected for this proof-of-concept study. It was found that continuous glaze layers of the desired thickness could be applied to the pellets with two or more dip coats, depending on the targeted thickness. At 330°C, the glaze was found to have a permeability that was lower than that of the pellet by a factor of ~10 6 , implying that a thin 10 – 50 µm layer can significantly increase pellet retention of hydrogen. Meanwhile, the permeation rate of helium through the glaze was found to be ~20 times higher than that of hydrogen or water. An unanticipated outcome of the study was that unglazed pellets were measured to have hydrogen diffusivities that are a factor of ~105 greater than the diffusivity value used in the TPBAR COMSOL model to achieve observed tritium retention rates. When the higher measured diffusivity was substituted into the model and the model was run with all tritium species in the pellet in the form of T 2 O at a partial pressure of 20 Pa in equilibrium with LiOT, the resulting retention was 50% after 500 days.

36 MATERIALS SCIENCE↗

Reliability of Materials and Components for Solid Oxide Fuel Cells

Planar stack solid-oxide fuel cells (SOFCs) require seals that must operate reliably under demanding conditions for lifetimes of 40000 hours. This includes temperature fluctuations between 800°C and RT during on and off cycles, thermal stresses, oxidizing environments and chemical degradation to name a few. This comprehensive report provides results from long term testing of two commercially available multicomponent barium alkali silicate glasses: SCN and G6, chosen as sealing candidates. In this scope, the glass seals were deposited on YSZ and Al 2 O 3 substrates simulating electrolytes (Zrbased) and coatings (both zirconia and Al 2 O 3 ). The seal-substrate couples were subjected to 800°C under air and steam+H 2 +N 2 environments up to 40000 hours to test their integrity under real operating conditions. Extensive studies on the effects of exposure have been conducted over the span of testing at various time intervals. Within the context of characterization, mechanical properties such as density, roughness, thermal expansion and glass transition, viscosity and wettability behavior; and microstructural properties such as glass chemistries, defect formation (cracks and pores), phase transformations (devitrification) and glass-interface reactions are investigated. Results and discussions are provided with a focus on the degradation of the properties over long term interrupted testing.

30 DIRECT ENERGY CONVERSION↗

NAR/NASA CSM 101 Delta critical design review phase 1

The supplemental CSM 101 Delta Critical Design Review (CDR), as associated with the Block II redefinition changes, will be conducted in two phases. Phase 1 is a software review of the drawings, SCN's, and other appropriate documentation. A mockup review of the crew interfaces (only) related to the redefinition changes will follow the software review.

E. M. Clauser↗

Preparation of multistage zone-refined materials for thermochemical standards

This paper describes the steps of a two-step zone purification procedure for completed minicells filled with ultrahigh-purity succinonitrile (SCN) in which the CNS is under its own vapor pressure. The solid-liquid equilibrium, as determined by melting and freezing point measurements, is therefore considered to be a realization of the triple-point. The freezing-point plateaus measured at a variety of bath temperatures demonstrated both the fundamental reproducibility of the measurement for a given sample and the lack of dependence of that measurement on the bath temperature which controls the freezing rate. The measurement reproducibility and the sample consistency indicate that the method described is indeed suitable for the preparation of pure material which can be used for the purposes of thermistor and thermometer calibration at 58.0796 + or - 0.0015 C.

Rubinstein, E.↗

Measurement of the diffusion coefficient of acetone in succinonitrile at its melting point

The diffusion coefficient of acetone in liquid succinonitrile at 331.1 K was determined using the method of McBain and Dawson (1935). Only dilute mixtures of SCN-acetone were studied. The interdiffusion constant was determined to be 0.0000127 sq cm/s and was essentially independent of the acetone concentration over the range investigated (0.5 to 18 mol pct acetone).

Chopra, M. A.↗

Evaluation of newly formulated Dow Corning 321 dry film lubricant

An evaluation of the newly formulated Dow Corning 321 dry film lubricant was performed. The purpose of the evaluation was to compare lubricating characteristics of Dow Corning 321 (STW4-2955, SCN No. 3) to those of Molykote 321R (STW4-2955). Ten igniter bolts were installed and torqued on test plates using the old formulation thread lubricant (Molykote 321R), and 10 bolts were installed using the new formulation (Dow Corning 321). After bolt removal, no signs of galling were found on any of the bolts or test plates threaded holes. Average torque-load values for each formulation were very close. Test results showed there are no significant differences in lubrication abilities between Molykote 321R and Dow Corning 321. It is recommended that, once current supplies of Molykote 321R are depleted, Dow Corning 321 dry film lubricant be used in place of Molykote 321R as a thread lubricant on redesigned solid rocket motor assemblies.

Cook, M.↗

Studies on the use of supercritical ammonia for ceramic nitride synthesis and fabrication

The extractability of ammonia halides (including ammonium thiocyanate) formed as byproducts from the synthesis of Si(NH)2 via ammonolysis of the corresponding silicon tetrahalides using supercritical NH3 as the extraction medium was investigated. It was found that the NH4SCN byproduct of ammonolysis of Si(SCN)4 can be almost completely extracted from the insoluble Si(NH)2 forming a promising system for the synthesis of pure Si(NH)2, one of the best precursors for Si3N4. In addition it was found that Si3N4, AlN, BN, and Si(NH)2 are insoluble in SC ammonia. Also discussed are design considerations for a supercritical ammonia extraction unit.

Cornell, Linda↗