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At least 19 records

Structural chemistry of Au(III)-substituted Ba2YCu3O(7-delta)

A series of gold-substituted perovskite superconductors Ba2Y(Cu/1-x/Aux)3O(7-delta)(x = 0-0.1) was synthesized. For x = 0.1, there was no change in the a and b lattice parameters (a = 3.826 A and b = 3.889 A), but a 0.06 A c-axis expansion to 11.75 A was observed. Substituted gold was found to be trivalent by X-ray photoelectron spectroscopy. Replacing Cu(1) in the copper oxide chain with a slight reordering of oxygen is consistent with c-axis expansion. The formal charge of the site remains trivalent, while remaining Cu in the chains is reduced to Cu(I), resulting in an oxygen stoichiometry of less than 7. Finally, no large effect on Tc is observed (Tc = 89 K for x = 0.10), in contrast to the effect of a number of other metal ion dopants. These results are discussed relative to the chemistry of Au(III) and to the use of the metal in structures containing gold and ceramic superconductors.

Hepp, A. F.↗

Synthesis and structural chemistry of Au(III)-substituted Ba2YCu3O(7-delta)

Gold-substituted superconductors, Ba2Y(Au(x)Cu(1-x))3O(7-delta) (x = 0-0.1) were synthesized. For x = 0.1, there was no change in the a and b lattice parameters (a = 3.826 A and b = 3.889 A) but a 0.06 A c axis expansion to 11.75 A was observed. Substituted gold is found to be trivalent by XPS. Replacing Cu(1) in the copper oxide chain with a slight reordering of oxygen is consistent with c axis expansion. The formal charge of the site remains trivalent; remaining Cu in the chains may be reduced resulting in an oxygen stoichiometry is less than or equal to 7. A small effect on T(sub c)(89 K for x = 0.10) is observed upon gold substitution.

Hepp, A. F.↗

Atomic structure and chemistry of human serum albumin

The three-dimensional structure of human serum albumin has been determined crystallographically to a resolution of 2.8 A. It comprises three homologous domains that assemble to form a heart-shaped molecule. Each domain is a product of two subdomains that possess common structural motifs. The principal regions of ligand binding to human serum albumin are located in hydrophobic cavities in subdomains IIA and ILIA, which exhibit similar chemistry. The structure explains numerous physical phenomena and should provide insight into future pharmacokinetic and genetically engineered therapeutic applications of serum albumin.

He, Xiao M.↗

Energetics and crystal chemistry of Ruddlesden-Popper type structures in high T(sub c) ceramic superconductors

The formation of Ruddlesden-Popper type layers (alternating slabs of rocksalt and perovskite structures) is seen in these oxides which is similar in many respects to what is seen in the system Sr-Ti-O. However, it was observed that there are some significant differences, for example the rocksalt and perovskite blocks in new superconducting compounds are not necessarily electrically, unlike in Sr-Ti-O systems. This will certainly render an additional coulombic bonding energy between two different types of blocks and may well lead to significant differences in their structural chemistry. In the higher order members of the various homologous series, additional Cu-O planes are inserted in the perovskite blocks. In order for the unit cell to electrically neutral the net positive charge on rocksalt block (which remains constant throughout the homologous series) should be balanced by an equal negative charge on perovskite block. It, thus becomes necessary to create oxygen vacancies in the basic perovskite structure, when width of the perovskite slab changes on addition of extra Cu-O planes. Results of atomistic simulations suggest that these missing oxygen ions allow the Cu-O planes to buckle in these compounds. This is also supported by the absence of buckling in the first member of Bi-containing compounds in which there are no missing oxygen ions and the Sr-Ti-O series of compounds. Additional results are presented on the phase stability of polytypoid structures in these crystal chemically complex systems. The studies will focus on the determination of the location of Cu(3+) in the structures of higher order members of the La-Cu-O system and whether Cu(3+) ions or oxygen vacancies are energetically more favorable charge compensating mechanism.

Dwivedi, Anurag↗

Structure and chemistry in the northwestern condensation of the Serpens molecular cloud core

We present single-dish and interferometric observations of gas and dust in the core of the Serpens molecular cloud, focusing on the northwestern condensation. Single-dish molecular line observations are used to probe the structure and chemistry of the condensation while high-resolution images of CS and CH30H are combined with continuum observations from lambda = 1.3 mm to lambda = 3.5 cm to study the subcondensations and overall distribution of dust. For the northwestern condensation, we derive a characteristic density of 3 x 10(exp 5)/ cu cm and an estimated total mass of approximately 70 solar mass. We find compact molecular emission associated with the far-infrared source S68 FIRS 1, and with a newly detected subcondensation named S68 N. Comparison of the large-and small-scale emission reveals that most of the material in the northwest condensation is not directly associated with these compact sources, suggesting a youthful age for this region. CO J = 1 approaches 0 observations indicate widespread outflow activity. However, no unique association of embedded objects with outflows is possible with our observations. The SiO emission is found to be extended with the overall emission centered about S68 FIRS 1; the offset of the peak emission from all of the known continuum sources and the coincidence between the blueshifted SiO emission and blueshifted high-velocity gas traced by CO and CS is consistent with formation of SiO in shocks. Derived abundances of CO and HCO(+) are consistent with quiescent and other star-forming regions while CS, HCN, and H2CO abundances indicate mild depletions within the condensation. Spectral energy distribution fits to S68 FIRS 1 indicate a modest luminosity (50-60 solar luminosity), implying that it is a low-mass (0.5-3 solar mass) young stellar object. Radio continuum observations of the triple source toward S68 FIRS 1 indicate that the lobe emission is varying on timescales less than or equal to 1 yr while the central component is relatively constant over approximately 14 yr. The nature of a newly detected compact emission region, S68 N, is less certain due to the absence of firm continuum detections; based on its low luminosity (less than 5 solar luminosity) and strong molecular emission, S68 N may be prestellar subcondensation of gas and dust.

Mcmullin, Joseph P.↗

Composition, structure, and chemistry of interstellar dust

Different dust components present in the interstellar medium (IM) such as amorphous carbon, polycyclic aromatic hydrocarbons, and those IM components which are organic refractory grains and icy grain mantles are discussed as well as their relative importance. The physical properties of grain surface chemistry are discussed with attention given to the surface structure of materials, the adsorption energy and residence time of species on a grain surface, and the sticking probability. Consideration is also given to the contribution of grains to the gas-phase composition of molecular clouds.

Tielens, A. G. G. M.↗

The control of stoichiometry in Epitaxial semiconductor structures. Interfacial Chemistry: Property relations. A workshop review

A workshop on the control of stoichiometry in epitaxial semiconductor structures was held on August 21-26, 1995 in the hotel Stutenhaus at Vesser in Germany. The secluded location of the workshop in the forest of Thuringia and its informal style stimulated extensive private discussions among the participants and promoted new contacts between young scientists from Eastern and Western Europe and the USA. Topics addressed by the presentations were interactions of precursors to heteroepitaxy and doping with the substrate surface, the control of interfacial properties under the conditions of heteroepitaxy for selected materials systems, methods of characterization of interfaces and native point defects in semiconductor heterostructures and an in depth evaluation of the present status of the control and characterization of the point defect chemistry for one specific semiconductor (ZnGeP2), including studies of both heterostructures and bulk single crystals. The selected examples of presentations and comments given here represent individual choices - made by the author to highlight major points of the discussions.

Bachmann, Klaus J.↗

Composition, structure and chemistry of interstellar dust

The observational constraints on the composition of the interstellar dust are analyzed. The dust in the diffuse interstellar medium consists of a mixture of stardust (amorphous silicates, amorphous carbon, polycyclic aromatic hydrocarbons, and graphite) and interstellar medium dust (organic refractory material). Stardust seems to dominate in the local diffuse interstellar medium. Inside molecular clouds, however, icy grain mantles are also important. The structural differences between crystalline and amorphous materials, which lead to differences in the optical properties, are discussed. The astrophysical consequences are briefly examined. The physical principles of grain surface chemistry are discussed and applied to the formation of molecular hydrogen and icy grain mantles inside dense molecular clouds. Transformation of these icy grain mantles into the organic refractory dust component observed in the diffuse interstellar medium requires ultraviolet sources inside molecular clouds as well as radical diffusion promoted by transient heating of the mantle. The latter process also returns a considerable fraction of the molecules in the grain mantle to the gas phase.

Tielens, Alexander G. G. M.↗

Crystallography, chemistry and structural disorder in the new high-Tc Bi-Ca-Sr-Cu-O superconductor

Diffraction experiments are reported which indicate that the new Bi-Ca-Sr-Cu-O layer-structure superconductor possesses a primitive orthorhombic unit cell with probable space group Pnnn. The material exhibits severe structural disorder which is primarily related to stacking within the layers. The apparent orthorhombic structure is an average resulting from orthorhombic material mixed with monoclinic domains in two twinned orientations. Two distinct types of structural disorder that are common in materials synthesized to date are also described. This disorder complicates the crystallographic analysis and suggests that X-ray and neutron diffraction methods may yield only an average structure.

Veblen, D. R.↗

Structure and chemistry of Orion S

We present interferometric observations of the SiO J = 2-1, H13CO(+) J = 1-0, HC3N J = 11-10, CH3OH J(K) = 2(0)-1(0), and SO2 J(KpK0) = 8(17)-8(08) transitions along with the 3.1 mm continuum toward the young stellar object Orion S. The HC3N and H13CO(+) emission trace similar spatial and velocity distributions which are extended and follow the Orion molecular ridge. The SiO emission is more spatially confined, peaking to the west of the 3.1 mm continuum source, while the CH3OH emission peaks to the southwest. Weak SO2 emission was detected southeast of the continuum source position. Column densities and fractional abundances are derived for each species at different positions in the region. In general, the molecular abundances near the continuum source are similar to those in the quiescent material near IRc 2, but the abundances decrease toward the continuum source position indicating localized depletions of at least a factor of three. The presence of strong SiO emission with much weaker SO2 emission is interpreted as resulting from high-velocity shock interactions between the outflow from Orion S and the surrounding cloud.

Mcmullin, Joseph P.↗

Investigation and simulation of metallic spherules from lunar soils

The microstructure and chemical composition of metallic spherules from the lunar soil were studied by optical, electron-probe, and scanning-electron-microscope techniques. Metallic spherules produced experimentally were compared to the lunar spherules with respect to structure, chemistry, and cooling rates. The structure of the lunar spherules indicates an origin by solidification of molten globules of metal. The spherules are probably produced from both lunar and meteoric sources, the major source being the metal phase present in lunar rocks and soil.

Blau, P. J.↗

Interaction of Au, Ag, and Bi ions with Ba2YCu3O(7-y) - Implications for superconductor applications

Results are presented on the reactions of Au, Ag, and Bi ions with Ba2YCu3O(7-y) oxides and on the properties of the resultant materials. The results indicate that Au(3+) structural chemistry makes gold an excellent candidate for multiphase structures of the Ba2Y(Cu/1-x/Au/x/)3O(7-y)-type substituted superconductors. Silver is structurally and chemically compatible with the perovskite structure, but when it forms a second phase, it does so without the destruction of the superconducting phase, making silver a useful metal for metal/ceramic applications. On the other hand, bismuth was shown to degrade Tc phase or to form other phases, indicating that it may not be useful in applications with rare-earth-based superconductors.

Hepp, A. F.↗

Processing and microstructure of Nb-1 percent Zr-0.1 percent C alloy sheet

A systematic study was carried out to evaluate the effects of processing on the microstructure of Nb-1 wt. pct. Zr-0.1 wt. pct. C alloy sheet. The samples were fabricated by cold rolling different sheet bars that were single-, double- or triple-extruded at 1900 K. Heat treatment consisted on one- or two-step annealing of different samples at temperatures ranging from 1350 to 1850 K. The assessment of the effects of processing on microstructure involved characterization of the precipitates including the type, crystal structure, chemistry and distribution within the material as well as an examination of the grain structure. A combination of various analytical and metallographic techniques were used on both the sheet samples and the residue extracted from them. The results show that the relatively coarse orthorhombic Nb2C carbides in the as-rolled samples transformed to rather fine cubic monocarbides of Nb and Zr with varying Zr/Nb ratios upon subsequent heat treatment. The relative amount of the cubic carbides and the Zr/Nb ratio increased with increasing number of extrusions prior to cold rolling. Furthermore, the size and the aspect ratio of the grains appear to be strong functions of the processing history of the material. These and other results obtained will be presented with the emphasis on a possible relationship between processing and microstructure.

Uz, Mehmet↗

Moon to Mars Planetary Autonomous Construction Technology (MMPACT) Lunar Surface Construction Activity at NASA Marshall Space Flight Center

Introduction: The goal of the Moon to Mars Planetary Autonomous Construction Technology (MMPACT) Project at NASA Marshall Space Flight Center (MSFC) is to develop, deliver, and demonstrate on-demand capabilities to protect astronauts and create infrastructure elements on the lunar surface via construction of landing pads, habitats, shelters, roadways, berms, and blast shields using lunar regolith-based materials. MSFC has strong collaborations with industry, academia, and other NASA Centers to accomplish this goal. The MMPACT project consists of three elements. The first focuses on the development of an autonomous construction system. The second focuses on construction feedstock materials development. The third element focuses on the development of a microwave sintering construction capability. The team plans to demonstrate construction on a small Commercial Lunar Payload Services (CLPS) lander in the 2025 timeframe, with a future goal of constructing a subscale landing pad in 2028-2029.The MMPACT project is funded through the Lunar Surface Innovation Initiative, which is part of the Space Technology Mission Directorate. Technology Development: The MMPACT team will evaluate multiple autonomous construction and microwave construction technologies, materials, and construction element forms. Selected technologies will be matured; processes and operations will be defined for the two flight missions. Evaluations of materials, as well as the technology itself, will be demonstrated in simulated lunar environments as part of the technology maturation process. The team is keenly aware of the properties of the lunar environment. Its temperature swings, negligible exosphere, and unprepared site foundations factor into the materials for both construction and hardware, the concept of operations, and the technology’s interdependencies. Materials: The team is looking at materials that can be produced from in-situ resources in an effort to make lunar construction cost-effective. The particular focus of the materials team is cementitious materials, metals, and sintered and melted regolith. These materials will be studied for tensile, compressive, and flexural strength. They will also be tested for their ability to handle thermal swings and vacuum. They will be fully characterized using various microscopy techniques to examine micro-structures, chemistry, and crystal formation. Interdependencies: There are many interdependencies that MMPACT has already identified. These include: •Excavation interface •Regolith feedstock beneficiation •Regolith feedstock storage and provision •Requirements for structures •Site-to-site mobility systems •Availability of lunar simulant •Lander off-loading capabilities •Navigation systems •Power •Regolith composition and mineralogy •Lander specifications •Communication protocols Technology developments in these additional areas would be beneficial to MMPACT.

Moon to Mars Planetary Autonomous Construction Tec↗

Structure of complexes between aluminum chloride and other chlorides, 2: Alkali-(chloroaluminates). Gaseous complexes

The structural chemistry of complexes between aluminum chloride and other metal chlorides is important both for practice and theory. Condensed-phase as well as vapor-phase complexes are of interest. Structural information on such complexes is reviewed. The first emphasis is given to the molten state because of its practical importance. Aluminum chloride forms volatile complexes with other metal chlorides and these vapor-phase complexes are dealt with in the second part. Finally, the variations in molecular shape and geometrical parameters are summarized.

Hargittai, M.↗

Preparation of refractory cermet structures for lithium compatibility testing

High-purity nitride and carbide cermets were synthesized for compatability testing in liquid lithium. A process was developed for the preparation of high-purity hafnium nitride powder, which was subsequently blended with tungsten powder or tantalum nitride and tungsten powders and fabricated into 3 in diameter billets by uniaxial hot pressing. Specimens were then cut from the billets for compatability testing. Similar processing techniques were applied to produce hafnium carbide and zirconium carbide cermets for use in the testing program. All billets produced were characterized with respect to chemistry, structure, density, and strength properties.

Heestand, R. L.↗