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Materials Data on Ca(CuP)2 by Materials Project

Ca(CuP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent P3- atoms to form CaP8 hexagonal bipyramids that share corners with sixteen equivalent CuP4 tetrahedra, edges with four equivalent CaP8 hexagonal bipyramids, edges with eight equivalent CuP4 tetrahedra, and faces with four equivalent CaP8 hexagonal bipyramids. All Ca–P bond lengths are 3.07 Å. Cu2+ is bonded to four equivalent P3- atoms to form CuP4 tetrahedra that share corners with eight equivalent CaP8 hexagonal bipyramids, corners with four equivalent CuP4 tetrahedra, edges with four equivalent CaP8 hexagonal bipyramids, and edges with four equivalent CuP4 tetrahedra. All Cu–P bond lengths are 2.39 Å. P3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Cu2+, and one P3- atom. The P–P bond length is 2.31 Å.

36 MATERIALS SCIENCE↗

Evidence for Perchlorates and the Origin of Chlorinated Hydrocarbons Detected by SAM at the Rocknest Aeolian Deposit in Gale Crater

A single scoop of the Rocknest aeolian deposit was sieved (less than 150 micrometers), and four separate sample portions, each with a mass of approximately 50 mg, were delivered to individual cups inside the Sample Analysis at Mars (SAM) instrument by the Mars Science Laboratory rover's sample acquisition system. The samples were analyzed separately by the SAM pyrolysis evolved gas and gas chromatograph mass spectrometer analysis modes. Several chlorinated hydrocarbons including chloromethane, dichloromethane, trichloromethane, a chloromethylpropene, and chlorobenzene were identified by SAM above background levels with abundances of approximately 0.01 to 2.3 nmol. The evolution of the chloromethanes observed during pyrolysis is coincident with the increase in O2 released from the Rocknest sample and the decomposition of a product of N-methyl-N-(tert-butyldimethylsilyl)-trifluoroacetamide (MTBSTFA), a chemical whose vapors were released from a derivatization cup inside SAM. The best candidate for the oxychlorine compounds in Rocknest is a hydrated calcium perchlorate (Ca(ClO4)2·nH2O), based on the temperature release of O2 that correlates with the release of the chlorinated hydrocarbons measured by SAM, although other chlorine-bearing phases are being considered. Laboratory analog experiments suggest that the reaction of Martian chlorine from perchlorate decomposition with terrestrial organic carbon from MTBSTFA during pyrolysis can explain the presence of three chloromethanes and a chloromethylpropene detected by SAM. Chlorobenzene may be attributed to reactions of Martian chlorine released during pyrolysis with terrestrial benzene or toluene derived from 2,6-diphenylphenylene oxide (Tenax) on the SAM hydrocarbon trap. At this time we do not have definitive evidence to support a nonterrestrial carbon source for these chlorinated hydrocarbons, nor do we exclude the possibility that future SAM analyses will reveal the presence of organic compounds native to the Martian regolith.

sample analysis at mars↗

Clifford Hierarchy Stabilizer Codes: Transversal Non-Clifford Gates and Magic States

A fundamental problem in fault-tolerant quantum computation is the tradeoff between universality and dimensionality, exemplified by the the Bravyi-König bound for $n$-dimensional topological stabilizer codes. In this work, we extend topological Pauli stabilizer codes to a broad class of $n$-dimensional Clifford hierarchy stabilizer codes. These codes correspond to the $(n+1)$D Dijkgraaf-Witten gauge theories with non-Abelian topological order. We construct transversal non-Clifford gates through automorphism symmetries represented by cup products. In 2D, we obtain the first transversal non-Clifford logical gates including T and CS for Clifford stabilizer codes, using the automorphism of the twisted $\mathbb{Z}_2^3$ gauge theory (equivalent to $\mathbb{D}_4$ topological order). We also combine it with the just-in-time decoder to fault-tolerantly prepare the logical T magic state in $O(d)$ rounds via code switching. In 3D, we construct a transversal logical $\sqrt{\text{T}}$ gate in a non-Clifford stabilizer code at the third level of the Clifford hierarchy, located on a tetrahedron corresponding to a twisted $\mathbb{Z}_2^4$ gauge theory. Furthermore, our constructions surpass the Bravyi-König bound by achieving the logical gates in the $(n+1)$-th level of Clifford hierarchy in $n$ spatial dimension.

Kobayashi, Ryohei [Institute for Advanced Study, P↗

Isotopic analysis of Nd nanoparticles using single particle MC-ICP-MS: A comparative study with single particle-ICP-TOF-MS

Single particle - inductively coupled plasma - mass spectrometry (SP-ICP-MS) is a powerful technique for characterization of the elemental and isotopic composition of individual particles. In this work, the capabilities of the newest generation of MC-ICP-MS with acquisition rates down to 50 ms were evaluated for single particle analysis, with a focus on isotopic precision achievable on a single-particle level. Nd (NdVO 4 ) nanoparticles (~120 nm in diameter) were used as case study and were first characterized in terms of mass (respective size) and particle number concentration by SP-ICP-TOF-MS and then by SP-MC-ICP-MS for isotopic precision. For the isotopic ratio measurements, the MC-ICP-MS performance was compared to the ICP-TOF-MS and it was found that the isotope ratio precision was increased (R 2 between 0.98 and 0.99) compared to ICP-TOF-MS (R 2 between 0.88 and 0.97). The accuracy attained on a single particle level, was compared to bulk digestion followed by MC-ICP-MS analysis, and the SP-MC-ICP-MS technique was able to determine the particle population average to be <4 %, percent relative differences for the 142 Nd/ 144 Nd, 143 Nd/ 144 Nd, 145 Nd/ 144 Nd, 146 Nd/ 144 Nd, and 148 Nd/ 144 Nd ratios The detection limit for the SP-MC-ICP-MS approach was also assessed. Here, when utilizing an all Faraday-cup based detection scheme the determined LOD for the measurements was 0.2fg for Nd, per particle. Based on these results, the newest generation of MC-ICP-MS has demonstrated its utility for performing SP measurement, particularly when high precision isotopic determination is warranted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Subsurface mechanical damage of fused silica glass during grinding by various sub-aperture tools with and without ultrasonics

The subsurface mechanical damage (SSD) depth after grinding fused silica glass with a comprehensive set of sub-aperture fixed abrasive grinding tools [cup, wheel, belt, pad, and rotary face mill (with and without ultrasonics)] and process parameters has been statistically measured using the taper wedge technique and evaluated. Consistent with a previously reported grinding model [J. Non-Cryst. Solids 352, 5601–5617 (2006) Crossref , Materials Science and Technology of Optical Fabrication (Wiley & Sons, 2018)], based on the sliding indentation fracture by sliding particles or asperities where the normal load per particle determines the depth of the fracture (and ultimately the overall SSD depth), the dominant factor controlling SSD depth was found to be the abrasive size regardless of the tool type and process conditions. Compared to full aperture grinding methods, the overall SSD depth was higher using the sub-aperture tools, likely due to the higher effective pressure and higher load per particle distribution. Here, in addition to abrasive size, a significant reduction in SSD depth was achieved by: (1) reducing the load distribution on the abrasive particles via increase in contact area and/or decrease in mechanical loading; (2) using a more compliant host tool medium; and (3) in what we believe is a more novel way, using ultrasonics. Combining low abrasive size, larger contact area, and a compliant host, the 6 µm diamond in a resin matrix (Trizact) on a foam pad led to very low SSD depth (~ 4.6 µm), relatively fast grinding rate (186 mm 3 /h), and little or no figure degradation. This grinding tool/process is an attractive choice for final grind, resulting in significantly reduced polish out (i.e., “grey out”) times. With the rotary face mill tool, the use of ultrasonics consistently led to a SSD depth reduction (ranging from 17%–34%). A new fracture mechanics-based model, to the best of our knowledge, where the relevant normal load is parallel to the feed direction, has been developed to explain how ultrasonics leads to lower SSD depth. The key factors, supported by finite element stress analysis and load measurements, are (1) the initiation of fractures at higher z heights during the tool’s ultrasonic vertical oscillations, thus propagating less deep into workpiece; (2) reduction in load (and therefore reduction in fracture propagation distance) due to smaller tool-workpiece feed direction contact area (again caused by higher heights relative to depth of cut); (3) upward movement of the tool during oscillation leads to fracturing toward the surface instead into the depth; and finally (4) at tool’s lowest point of oscillation cycle, there may not be enough time for the fracture to propagate to its full length.

Optics and optical instruments↗