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Materials Data on NaSb by Materials Project

NaSb crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six Sb1- atoms to form a mixture of distorted edge and corner-sharing NaSb6 octahedra. The corner-sharing octahedra tilt angles range from 25–60°. There are a spread of Na–Sb bond distances ranging from 3.27–3.39 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Sb1- atoms. There are a spread of Na–Sb bond distances ranging from 3.26–3.42 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Sb1- atoms. There are one shorter (2.89 Å) and one longer (2.90 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Sb1- atoms.

36 MATERIALS SCIENCE↗

Materials Data on NaSb(OF2)2 by Materials Project

NaSb(OF2)2 is Upper Bainite-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Na is bonded to two O and four F atoms to form NaO2F4 octahedra that share corners with six equivalent SbO2F4 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There are one shorter (2.59 Å) and one longer (2.66 Å) Na–O bond lengths. There are a spread of Na–F bond distances ranging from 2.31–2.37 Å. Sb is bonded to two O and four F atoms to form SbO2F4 octahedra that share corners with six equivalent NaO2F4 octahedra. The corner-sharing octahedra tilt angles range from 41–56°. There is one shorter (1.97 Å) and one longer (1.98 Å) Sb–O bond length. There are a spread of Sb–F bond distances ranging from 1.93–1.96 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Na and one Sb atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Na and one Sb atom. There are four inequivalent F sites. In the first F site, F is bonded in a distorted bent 120 degrees geometry to one Na and one Sb atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Na and one Sb atom. In the third F site, F is bonded in a bent 150 degrees geometry to one Na and one Sb atom. In the fourth F site, F is bonded in a distorted bent 120 degrees geometry to one Na and one Sb atom.

36 MATERIALS SCIENCE↗

Materials Data on NaSb(PS3)2 by Materials Project

NaSbP2S6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Na–S bond distances ranging from 3.06–3.19 Å. Sb3+ is bonded to six S2- atoms to form distorted corner-sharing SbS6 octahedra. The corner-sharing octahedral tilt angles are 78°. There are a spread of Sb–S bond distances ranging from 2.62–3.07 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.99–2.07 Å. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.00–2.08 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to one Na1+, one Sb3+, and one P4+ atom. In the second S2- site, S2- is bonded to two equivalent Na1+, one Sb3+, and one P4+ atom to form distorted corner-sharing SNa2SbP tetrahedra. In the third S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent Sb3+ and one P4+ atom. In the fourth S2- site, S2- is bonded in a distorted see-saw-like geometry to three equivalent Na1+ and one P4+ atom. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to one Na1+, one Sb3+, and one P4+ atom. In the sixth S2- site, S2- is bonded in a distorted L-shaped geometry to one Sb3+ and one P4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on NaSb(PS3)2 by Materials Project

NaSbP2S6 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Na–S bond distances ranging from 2.98–3.41 Å. Sb3+ is bonded in a 4-coordinate geometry to five S2- atoms. There are a spread of Sb–S bond distances ranging from 2.56–3.27 Å. There are two inequivalent P4+ sites. In the first P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 2.00–2.09 Å. In the second P4+ site, P4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of P–S bond distances ranging from 1.97–2.08 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Sb3+ and one P4+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Sb3+ and one P4+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one P4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Sb3+, and one P4+ atom. In the fifth S2- site, S2- is bonded in a 2-coordinate geometry to one Na1+, one Sb3+, and one P4+ atom. In the sixth S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Sb3+, and one P4+ atom.

36 MATERIALS SCIENCE↗

Sodium Sulfur Battery Cell Experiment (NaSBE)

The Ford Motor Company published papers describing new types of secondary battery comprised of: solid, sodium ion conducting electrolyte; liquid metal electrode; redox electrode; operating temperature between 300 and 400 deg. C; specific energy of 150 Wh/kg; and a nominal voltage of 2.0 V.

Garner, J. Christopher↗

Solution-Grown Ternary Semiconductors: Nanostructuring and Stereoelectronic Lone Pair Distortions in I–V–VI 2 Materials

Alkali pnictogen dichalcogenides–I–V–VI 2 or APnCh 2 –have been identified as promising semiconducting materials for energy conversion devices. However, the controlled nanoscale synthesis and our understanding of the effects of cation ordering and stereochemically active lone pairs on the structures of these ternary compounds remain underdeveloped. Here, we use solution-phase chemistry to synthesize a family of APnCh 2 materials, including LiSbSe 2 , NaSbS 2 , NaSbSe 2 , NaBiS 2 , and NaBiSe 2 . Our approach utilizes alkali metal hydrides (AH) or carboxylates, A(O 2 CR), PnPh 3 , and elemental chalcogens as synthetic precursors and oleylamine or 1-octadecene as solvents. Synthetic manipulation via fine-tuning of reaction temperature enables control over the degree of ordering caused by the Sb 5s 2 lone pair-induced distortions in NaSbS 2 . Pair distribution function analysis demonstrates that the structure of the Sb-containing phases deviates much more from a disordered rock salt structure than that of the Bi-containing phases. This local distortion, induced by the Sb lone pair, leads to a previously unreported noncentrosymmetric NaSbS 2 crystal structure, which is additionally supported by second-harmonic generation measurements. Infrared and multinuclear solid-state NMR spectroscopies show that oleylamine or chelating carboxylates and, in some cases, unreacted precursors (LiH and PnPh 3 ) remain bound to the nanocrystalline surfaces. Further, a deeper understanding of the local atomic environment, long-range ordering, surface chemistry, and optoelectronic properties of these materials may speed up their fundamental study and application.

36 MATERIALS SCIENCE↗

Understanding the thermally activated charge transport in NaPb m SbQ m+2 (Q = S, Se, Te) thermoelectrics: weak dielectric screening leads to grain boundary dominated charge carrier scattering

Many thermoelectric materials feature irregular electrical conductivity with thermally activated transport below ~600 K and metallic behavior at high temperatures, despite possessing degenerate carrier concentrations. The suppression of the electrical conductivity ultimately degrades the thermoelectric performance on the cold side and limits the device energy conversion efficiency. As such, establishing the origin of the low temperature scattering and developing strategies to mitigate its effect are paramount issues. To date, the correct microscopic description of the low temperature carrier scattering remains an open issue, and there is little work addressing why some thermoelectric materials are more susceptible to the deleterious behavior. Here, we use the promising thermoelectric alloys of PbQ and NaSbQ 2 (Q = S, Se, Te) as model systems to address these concerns. We directly show the thermally activated transport stems from the scattering of charge carriers by the grain boundaries (GBs), and that the expected metallic electrical conductivity is recovered by preparing large grained samples with reduced densities of GBs. We furthermore study the electrical properties NaPb m SbSe m+2 as a function of NaSbSe 2 fraction, as well as those of the chalcogenide analogues, PbTe–NaSbTe 2 and PbS–NaSbS 2 , and demonstrate that the strength of GB scattering can be understood by utilizing simple chemical principles. By considering the polarizability of the host atoms, we directly relate the magnitude of GB scattering to the relative degree of charge carrier screening in each material, and demonstrate that GB scattering is strongest in the ionic NaSbQ 2 -rich compounds and weakest in more polarizable PbQ-rich phases. We finally show how these chemical arguments elegantly explain the strong GB scattering in numerous other thermoelectric materials. By uniting the deleterious charge transport properties exhibited by many different compounds into a common picture, we discuss how our work gives design principles for proper microstructure engineering in emerging thermoelectric materials.

36 MATERIALS SCIENCE↗

Research for preparation of cation-conducting solids by high-pressure synthesis and other methods

It was shown that two body-centered-cubic skeleton structures, the Im3 KSbO3 phase and the defect-pyrochlore phase A(+)B2X6, do exhibit fast Na(+)-ion transport. The placement of anions at the tunnel intersection sites does not impede Na(+)-ion transport in (NaSb)3)(1/6 NaF), and may not in (Na(1+2x)Ta2 5F)(Ox). The activation energies are higher than those found in beta-alumina. There are two possible explanations for the higher activation energy: breathing of the bottleneck (site face or edge) through which the A(+) ions must pass on jumping from one site to another may be easier in a layer structure and/or A(+)-O bonding may be stronger in the cubic structures because the O(2-) ion bonds with two (instead of three) cations of the skeleton. If the former explanation is dominant, a lower activation energy may be achieved by optimizing the lattice parameter. If the latter is dominant, a new structural principle may have to be explored.

Goodenough, J. B.↗

SRM Internal Flow Test and Computational Fluid Dynamic Analysis: Major Task Summaries - Volume 1

During the four year period of performance for NASA contract, NASB-39095, ERC has performed a wide variety of tasks to support the design and continued development of new and existing solid rocket motors and the resolution of operational problems associated with existing solid rocket motor's at NASA MSFC. This report summarizes the support provided to NASA MSFC during the contractual period of performance. The report is divided into three main sections. The first section presents summaries for the major tasks performed. These tasks are grouped into three major categories: full scale motor analysis, subscale motor analysis and cold flow analysis. The second section includes summaries describing the computational fluid dynamics (CFD) tasks performed. The third section, the appendices of the report, presents detailed descriptions of the analysis efforts as well as published papers, memoranda and final reports associated with specific tasks. These appendices are referenced in the summaries. The subsection numbers for the three sections correspond to the same topics for direct cross referencing.

Whitesides, R. Harold↗

STS 87: Meal - Suit Up - Depart O&C - Launch Columbia On Orbit - Landing - Crew Egress

The STS-87 Space Shuttle Columbia mission begins with the introduction of the seven crew members. The seven crew members include: Commander Kevin R. Kregel, pilot Steven W. Lindsey, mission specialists: Winston E. Scott, Kalpana Chawla and Takao Doi and payload specialist Leonid K. Kadenyuk. The United States Microgravity Payload (USMP-4), Orbital Acceleration Research Experiment (OARE), the EVA Demonstration Flight Test 5 (EDFT-05), Shuttle Ozone Limb Sending Experiment (SOLSE), Loop Heat Pump (LHP), and Sodium Sulfur Battery Experiment (NaSBE) were all shown during this video presentation. The launch of the STS-87 from different Kennedy Space Flight Center (KSFC) areas and Pre-flight training at the Johnson Space Center is presented. The retrieve and recovery spot satellite are also shown. Also, the landing of the Space Shuttle Columbia is presented from different areas at Kennedy Space Flight Center.

Source record↗

Hydroponics Database and Handbook for the Advanced Life Support Test Bed

During the summer 1998, I did student assistance to Dr. Daniel J. Barta, chief plant growth expert at Johnson Space Center - NASA. We established the preliminary stages of a hydroponic crop growth database for the Advanced Life Support Systems Integration Test Bed, otherwise referred to as BIO-Plex (Biological Planetary Life Support Systems Test Complex). The database summarizes information from published technical papers by plant growth experts, and it includes bibliographical, environmental and harvest information based on plant growth under varying environmental conditions. I collected 84 lettuce entries, 14 soybean, 49 sweet potato, 16 wheat, 237 white potato, and 26 mix crop entries. The list will grow with the publication of new research. This database will be integrated with a search and systems analysis computer program that will cross-reference multiple parameters to determine optimum edible yield under varying parameters. Also, we have made preliminary effort to put together a crop handbook for BIO-Plex plant growth management. It will be a collection of information obtained from experts who provided recommendations on a particular crop's growing conditions. It includes bibliographic, environmental, nutrient solution, potential yield, harvest nutritional, and propagation procedure information. This handbook will stand as the baseline growth conditions for the first set of experiments in the BIO-Plex facility.

Allen J Nasb↗