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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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62 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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↗
DOE OSTI2020

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↗
DOE OSTI2020

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↗
DOE OSTI2020

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↗
DOE OSTI2020

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↗
DOE OSTI2023

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↗
DOE OSTI2024

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↗
DOE OSTI2020

Compositions for therapeutics, targeted PET imaging and methods of their use

Described herein is a chelator for radiolabels (e.g., 89Zr) for targeted PET imaging that is an alternative to DFO. In certain embodiments, the chelator for 89Zr is the ligand, 3,4,3-(LI-1,2-HOPO) (“HOPO”), which exhibits equal or superior stability compared to DFO in chemical and biological assays across a period of several days in vivo. As shown in FIG. 1, the HOPO is an octadentate chelator that stabilizes chelation of radiolabels (e.g., 89Zr). A bifunctional ligand comprising p-SCN-Bn-HOPO is shown in FIG. 4 and FIG. 5. Such a bifunctional ligand can eliminate (e.g., 89Zr) loss from the chelate in vivo and reduce uptake in bone and non-target tissue. Therefore, the bifunctional HOPO ligand can facilitate safer and improved PET imaging with radiolabeled antibodies.

Lewis, Jason S.↗