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At least 55 records · Page 3

Materials Data on Cd(AsO4)4 by Materials Project

Cd(AsO4)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Cd(AsO4)4 ribbon oriented in the (1, 0, 0) direction. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with six AsO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.23–2.34 Å. There are two inequivalent As sites. In the first As site, As is bonded to four O atoms to form AsO4 tetrahedra that share a cornercorner with one CdO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of As–O bond distances ranging from 1.71–1.76 Å. In the second As site, As is bonded to four O atoms to form AsO4 tetrahedra that share corners with two equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cd and one As atom. In the second O site, O is bonded in a single-bond geometry to one As atom. In the third O site, O is bonded in a single-bond geometry to one As atom. In the fourth O site, O is bonded in a single-bond geometry to one As atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Cd and one As atom. In the sixth O site, O is bonded in a single-bond geometry to one As atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Cd and one As atom. In the eighth O site, O is bonded in a single-bond geometry to one As atom.

36 MATERIALS SCIENCE↗

Chemiresistor sensor based on ion-imprinted polymer (IIP)-functionalized rGO for Cd(II) ions in water

This study reports the design and development of a novel chemiresistor (CR) sensor using ion imprinted polymer (IIP)-functionalized reduced graphene oxide (rGO) [IIP/rGO-CR] for cadmium ions (Cd(II)) determination in water. The sensor consisted of a CR transducer made of rGO channel bridging source and drain electrodes prepared by self-assembly and thermal reduction of graphene oxide (GO) on Au interdigitated electrodes chip fabricated on Si/SiO 2 substrate. The IIP was then grafted on rGO using surface-initiated reversible addition-fragmentation chain transfer (RAFT) polymerization with polyethylenimine (PEI) and methylacrylic acid (MAA) as dual functional monomers and Cd(II) ions as template through UV light-initiated copolymerization. The IIP functionalized on rGO acted as an effective recognition element that modulated the resistance of rGO-CR upon binding of Cd(II), enabling Cd(II) detection at ppb level in aqueous solutions. The prepared IIP/rGO-CR sensor worked effectively in the linear range of 2~200ppb and achieved a limit of detection (LOD) of 0.83 ppb, which is lower than the World Health Organization guidelines of 3ppb for drinking water quality. The developed sensor of IIP/rGO-CR showed a high selectivity against a variety of trace and heavy metal ions found in water and good stability for up to 60 days when stored at room temperature for Cd(II) determination in water. Further, the sensor was successfully applied to analyzing Cd(II) spiked in tap, lake and river waters with a 94.5%–113.5% recovery, demonstrating a high degree of accuracy even in complex water samples. Finally, our results illustrated that the CR sensor of IIP functionalized rGO provides a potential platform for sensitive, robust and low-cost environmental analysis of Cd(II) in water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Distribution and evolution of Zn, Cd, and Pb in Apollo 16 regolith samples and the average U-Pb ages of the parent rocks

The concentration of surface (low temperature site) and interior (high temperature site) Cd, Zn, and Pb in 13 Apollo 16 highland fines samples, pristine rock 65325, and mare fines sample 75081 were analyzed directly from the thermal release profiles obtained by flameless atomic absorption technique (FLAA). Cd and Zn in pristine ferroan anothosite 65325, anorthositic grains of the most mature fines 65701, and basaltic rock fragments of mare fines 75081 were almost all surface Cd and Zn indicating that most volatiles were deposited on the surfaces of vugs, vesicles and microcracks during the initial cooling process. A considerable amount of interior Cd and Zn was observed in agglutinates. This result suggests that high temperature site interior volatiles originate from entrapment during the lunar maturation processes. Interior Cd found in the most mature fines sample 65701 was only about 15% of the total Cd in the sample. Interior Pb present in Apollo 16 fines samples went up to 60%. From our Cd studies we can assume that this interior Pb in highland fines samples is largely due to the radiogenic decay which occurred after the redistribution of the volatiles took place. We obtained an average age of 4.0 b.y. for the parent rocks of Apollo 16 highland regolith from our interior Pb analyses.

Cirlin, E. H.↗

Minutes of the CD-ROM Workshop

The workshop described in this document had two goals: (1) to establish guidelines for the CD-ROM as a tool to distribute datasets; and (2) to evaluate current scientific CD-ROM projects as an archive. Workshop attendees were urged to coordinate with European groups to develop CD-ROM, which is already available at low cost in the U.S., as a distribution medium for astronomical datasets. It was noted that NASA has made the CD Publisher at the National Space Science Data Center (NSSDC) available to the scientific community when the Publisher is not needed for NASA work. NSSDC's goal is to provide the Publisher's user with the hardware and software tools needed to design a user's dataset for distribution. This includes producing a master CD and copies. The prerequisite premastering process is described, as well as guidelines for CD-ROM construction. The production of discs was evaluated. CD-ROM projects, guidelines, and problems of the technology were discussed.

King, Joseph H.↗

The distribution of cD galaxy peculiar velocities

A modified version of a cluster evolution computer code first described in Richstone and Malumuth (1983) and Malumuth and Richstone (1984) to investigate the distributon of cD galaxy peculiar velocities and positions relative to the center, for a sample of cDs formed through mergers in a virialized cluster. This distribution is compared to an observed distribution of 19 cD galaxies to test whether cD galaxies with large peculiar velocities could have been formed in virialized clusters. At the time of their formation the cD galaxies have a distribution of peculiar velocities similar to that of the observed cD galaxies. By the end of the simulations the cD galaxies were dragged to the center of the cluster by dynamical friction, and the distribution of peculiar velocities is inconsistent with the observed distribution. The typical cD galaxy has nine mergers and is 5 solar luminosities. This is in comparison with the observed luminosity of Morgan poor clusters of 7 solar luminosities.

Malumuth, Eliot M.↗

Composition-Temperature-Partial Pressures Data for Cd(sub 0.8)Zn(sub 0.2)Te by Optical Absorption Measurements

Known weights of Cd, Zn and Te were reacted in silica optical cells of known volume and the partial pressure of Te2 and Zn between 485 and 1160 C were determined by measuring the optical density of the vapor in the ultra-violet to visible range. The composition of the condensed phase or phases was calculated from the original weights and the amount of material in the vapor phase. The corresponding composition - temperature - partial pressures, x(sub Te)-T-P(sub Te2), data, including five Te-rich solidus points, were established. The solubility range for the Te-rich Cd(sub 0.8)Zn(sub 0.2)Te(s) is similar to that of CdTe(s) with x(sub Te) = 0.50005 at 809 C and an estimated maximum solubility of x(sub Te) = 0.50012 at about 1000 C. The partial pressure of Cd and Te(sub 2) measured over the Cd(sub 0.8)Zn(sub 0.2)Te melt at 1140 C were about 1.55 and 0.02 atm, respectively, and the corresponding P(Sub Zn) was estimated to be 0.05 atm. It was recommended that a Cd reservoir maintaining at 800 to 820 C should be used during directional solidification of Cd(sub o.8)Zn(sub 0.2)Te to prevent the preferential loss of Cd to the vapor phase.

Su, Ching-Hua↗

Materials Data on Cd(PO4)2 by Materials Project

Cd(PO4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.25–2.51 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent CdO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 44–51°. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent P atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one Cd atom.

36 MATERIALS SCIENCE↗

Materials Data on Cd(BrO2)2 by Materials Project

Cd(O2Br)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cd is bonded in a distorted linear geometry to two equivalent O and four equivalent Br atoms. Both Cd–O bond lengths are 2.16 Å. All Cd–Br bond lengths are 2.97 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent O and one Br atom. Both O–O bond lengths are 1.94 Å. The O–Br bond length is 1.97 Å. In the second O site, O is bonded in a 2-coordinate geometry to one Cd, two equivalent O, and one Br atom. The O–Br bond length is 2.13 Å. Br is bonded in a 2-coordinate geometry to two equivalent Cd and two O atoms.

36 MATERIALS SCIENCE↗

Modulation of Plant and Fungal Gene Expression Upon Cd Exposure and Symbiosis in Ericoid Mycorrhizal Vaccinium myrtillus

The success of Ericaceae in stressful habitats enriched in heavy metals has been ascribed to the distinctive abilities of their mycorrhizal fungal partners to withstand heavy metal stress and to enhance metal tolerance in the host plant. Whereas heavy metal tolerance has been extensively investigated in some ericoid mycorrhizal (ERM) fungi, the molecular and cellular mechanisms that extend tolerance to the host plant are currently unknown. Here, we show a reduced Cd content in Cd-exposed mycorrhizal roots of Vaccinium myrtillus colonized by a metal tolerant isolate of the fungus Oidiodendron maius as compared to non-mycorrhizal roots. To better understand this phenotype, we applied Next Generation Sequencing technologies to analyze gene expression in V. myrtillus and O. maius Zn grown under normal and Cd-stressed conditions, in the free living and in the mycorrhizal status. The results clearly showed that Cd had a stronger impact on plant gene expression than symbiosis, whereas fungal gene expression was mainly regulated by symbiosis. The higher abundance of transcripts coding for stress related proteins in non-mycorrhizal roots may be related to the higher Cd content. Regulated plant metal transporters have been identified that may play a role in reducing Cd content in mycorrhizal roots exposed to this metal.

Cd tolerance, transcriptomics↗

A combined management scheme to simultaneously mitigate As and Cd concentrations in rice cultivated in contaminated paddy soil

Paddy soils in southern China are heavily co-polluted by arsenic (As) and cadmium (Cd). The accumulation of these contaminants in rice grains may pose a high health risk. We evaluated the impact of adjusted water management practice (i.e., conventional irrigation and aerobic treatment after heading stage) and the application of two immobilization agents (i.e., CaO and Fe2O3) on the accumulation of As and Cd in rice grains of three rice varieties (i.e., Jinyou-463, Jinyou-268, and Mabayouzhan). The different schemes were tested via conducting a field experiment in paddy soil in Shaoguan, Guangdong Province, China. The results showed that the combined scheme (selecting Jinyou-268, aerobic water management after the heading stage, and 0.09% CaO and 0.5% Fe2O3 amendments) exhibited the best performance in the reduction of As and Cd accumulation in rice grains. This combined scheme decreased the grain As concentration by 26.19% and maintained the Cd at a low level (0.056 mg/kg) as compared to the use of local conventional irrigation patterns. Moreover, health risk assessment demonstrated that by applying the optimal scheme, neither As nor Cd content in rice had carcinogenic risk. However, the grain As remains at a high non-carcinogenic risk. We suggest that future field study design should fully incorporate the uncertainty of the natural environment to make the research conclusions more feasible for popularization and utilization. This study demonstrated an approach of utilizing the synergy effects of various measures for safe rice production in fields subjected to As and Cd contaminations.

Yang, Xiao↗

A first principles study on the adsorbate-adsorbate interactions on the CdTe(111) surface with Cd, Te, Zn, and Se adatoms

The study of adsorbate-adsorbate interactions is essential to understanding early crystal growth dynamics. Here, we employ planewave density functional theory to study the binary adatom pair interactions between Cd-Cd, Te-Te, Zn-Zn, Se-Se, Cd-Te, Cd-Se, Cd-Zn, Te-Se, Te-Zn, and Se-Zn adatom pairs on two CdTe(111) surfaces. An analysis of the interaction energies between binary adatom pairs suggests repulsive interactions are common regardless of the relative distance between adatoms. For the CdTe(111)A surface, attractive interactions occur between neighboring chalcogen (i.e., Te and Se) and Group 12 (i.e., Cd and Zn) adatom pairs. For the CdTe(111)B surface, attractive interactions occur between neighboring Group 12 adatoms forming a surface dimer configuration. Furthermore, the formation energy of an adatom pair is decomposed in terms of the electronic, elastic, and adatom binding contributions. For smaller interatomic distances between the adatoms, the formation energy is primarily a function of the electronic interactions, with null contributions from the elastic and adatom binding interactions for Group 12-containing pairs. Because of the less favorable electronic interactions for larger interatomic distances between the adatoms, the formation energies are typically more positive. Lastly, neighboring adatoms significantly increase the barriers of migration on the CdTe(111)A surface relative to unary adatoms for the top-to-fcc and fcc-to-fcc sites, while the migration barriers on the CdTe(111)B surface only increases for the fcc-to-fcc migration of chalcogen species. From this analysis, we illustrate the role of adatom interactions during the early stages of the surface nucleation processes on CdTe(111) thin films.

CdTe↗

Tuning the Radius Ratio to Enhance Thermoelectric Properties in the Zintl Compounds AM 2 Sb 2 (A = Ba, Sr; M = Zn, Cd)

Five novel Zintl phase solid solutions in the Ba 1–x Sr x Zn 2–y Cd y Sb 2 (0 ≤ x ≤ 0.13(1); 0 ≤ y ≤ 0.32(2)) system were successfully synthesized by the molten Pb metal-flux method, and the powder X-ray diffraction and single-crystal X-ray diffraction analyses proved that all five title compounds adopted the BaCu 2 S 2 -type phase having the orthorhombic Pnma space group (Z = 4, Pearson code oP20) with five crystallographically independent atomic sites. The previously studied BaCu 2 S 2 -type antimonides demonstrated a limited tolerance for doping in contrast to the CaAl 2 Si 2 -type antimonides. To understand the relatively narrower phase width and limited dopability of the title BaCu 2 S 2 -type phase than the CaAl 2 Si 2 -type phase in the overall Ba 1–x Sr x Zn 2–y Cd y Sb 2 system, the radius ratio of cations and anionic elements r + /r – for two structure types were thoroughly investigated. For the first time, the r + /r – ratio was identified as a critical factor for the phase selectivity: (1) r + /r – > 1 favored the BaCu 2 S 2 -type phase, and (2) r + /r – < 1 favored the CaAl 2 Si 2 -type phase. Further, we also revealed the structural transformation mechanism from the more widely observed CaAl 2 Si 2 -type phase to the title BaCu 2 S 2 -type phase as the relatively larger cationic elements were introduced to the system. A series of DFT calculations using the three hypothetical models indicated that a resonance peak near EF in the density of states curves was descended from the relatively flat band structure at several special symmetry points rationalizing the enhanced Seebeck coefficients of Ba 0.94(1) Sr 0.06 Zn 1.86(3) Cd 0.14 Sb 2 and Ba 0.96(1) Sr 0.04 Zn 1.68(2) Cd 0.32 Sb 2 . Electron localization function analysis rationalized the correlation between the polarity change of anionic Zn/Cd–Sb bonds and the charge carrier mobility on the anionic frameworks. Temperature-dependent thermoelectric properties were studied for the four title compounds, and the results proved that the Sr and Cd doping in the title Ba 1–x Sr x Zn 2–y Cd y Sb 2 system successfully enhanced the ZT values through the increased Seebeck coefficients and the reduced total thermal conductivities.

36 MATERIALS SCIENCE↗

Ba 6 (Cu x Z y )Sn 4 S 16 (Z = Mg, Mn, Zn, Cd, In, Bi, Sn): High Chemical Flexibility Resulting in Good Nonlinear-Optical Properties

Seven acentric sulfides Ba 6 (Cu x Z y )Sn 4 S 16 (Z = Mg, Mn, Zn, Cd, In, Bi, Sn) were grown by a high-temperature salt flux method. The crystal structures of the Ba 6 (Cu x Z y )Sn 4 S 16 (Z = Mg, Mn, Zn, Cd, In, Bi, Sn) compounds were determined by single-crystal X-ray diffraction with the aid of solid-state NMR spectroscopy. The Ba 6 (Cu x Z y )Sn 4 S 16 (Z = Mg, Mn, Zn, Cd, In, Bi) compounds are isostructural and crystallize in the Ba 6 Ag 4 Sn 4 S 16 structure type. The Sn-containing compound exhibits high structural similarity to Ba 6 (Cu x Z y )Sn 4 S 16 (Z = Mg, Mn, Zn, Cd, In, Bi) with the presence of an interstitial atomic position partially occupied by Sn atoms. The chemical bonding characteristics of Ba 6 (Cu 2.9 Sn 0.4 )Sn 4 S 16 were understood with electron localization function calculations coupled with crystal orbital Hamilton population calculations. The Ba–S and Cu–S interactions are dominantly ionic, but the Sn–S interactions consist of strong covalent bonding characteristics in Ba 6 (Cu 2.9 Sn 0.4 )Sn 4 S 16 . The monovalent Cu atoms, mixed with certain metals with various oxidation states, significantly shift the optical properties of the Ba 6 (Cu x Z y )Sn 4 S 16 (Z = Mg, Mn, Zn, Cd, In, Bi) compounds. This results in a good balance between the second-harmonic-generation (SHG) response and laser damage threshold (LDT). Ba 6 (Cu 1.9 Zn 1.1 )Sn 4 S 16 possesses a high SHG response and a high LDT of 2.8 × AGS and 3 × AGS, respectively. Here, a density functional theory calculation revealed that CuS 4 and SnS 4 tetrahedra significantly contribute to the SHG response in Ba 6 (Cu 2 Mg)Sn 4 S 16 , which also confirmed that CuS 4 tetrahedra are crucial for the stability and optical properties of the Ba 6 (Cu x Z y )Sn 4 S 16 (Z = Mg, Mn, Zn, Cd, In, Bi, Sn) compounds revealed by electronic structure analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lifetime measurements in the even-even Cd 102 – 108 isotopes

The heaviest T z = 0 doubly-magic nucleus, Sn 100 , and the neighboring nuclei offer unique opportunities to investigate the properties of nuclear interaction. For instance, the structure of light-Sn nuclei has been shown to be affected by the delicate balance between nuclear-interaction components, such as pairing and quadrupole correlations. From Cd to Te, many common features and phenomena have been observed experimentally along the isotopic chains, leading to theoretical studies devoted to a more general and comprehensive study of the region. In this context, having only two proton holes in the Z = 50 shell, the Cd isotopes are expected to present properties similar to those found in the Sn isotopic chain. The aim of this work was to measure lifetimes of excited states in neutron-deficient nuclei in the vicinity of Sn 100 . Here, the neutron-deficient nuclei in the N ≈ Z ≈ 50 region were populated using a multinucleon transfer reaction with a Cd 106 beam and a Mo 92 target. The beamlike products were identified by the VAMOS + + spectrometer, while the γ rays were detected using the AGATA array. Lifetimes of excited states were determined using the recoil distance Doppler-shift method, employing the Cologne differential plunger. Lifetimes of low-lying states were measured in the even-mass Cd 102 – 108 isotopes. In particular, multiple states with excitation energy up to ≈ 3 MeV, belonging to various bands, were populated in Cd 106 via inelastic scattering. The transition strengths corresponding to the measured lifetimes were compared with those resulting from state-of-the-art beyond-mean-field calculations using the symmetry-conserving configuration-mixing approach. Conclusions: Despite the similarities in the electromagnetic properties of the low-lying states, there is a fundamental structural difference between the ground-state bands in the Z = 48 and Z = 50 isotopes. The comparison between experimental and theoretical results revealed a rotational character of the Cd nuclei, which have prolate-deformed ground states with β 2 ≈ 0.2 . At this deformation Z = 48 becomes a closed-shell configuration, which is favored with respect to the spherical one.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Publication of science data on CD-ROM: A guide and example

CD-ROM (Compact Disk-Read Only Memory) is becoming the standard media not only in audio recording, but also in the publication of data and information accessible on many computer platforms. Little has been written about the complicated process involved in creating easy-to-use, high quality, and useful CD-ROM's containing scientific data. This document is a manual designed to aid those who are responsible for the publication of scientific data on CD-ROM. All aspects and steps of the procedure are covered, from feasibility assessment through disk design, data preparation, disc mastering, and CD-ROM distribution. General advice and actual examples are based on lessons learned from the publication of scientific data for an interdisciplinary field experiment. Appendices include actual files from a CD-ROM, a purchase request for CD-ROM mastering services, and the disk art for the first disk published for the project.

Angelici, Gary↗

Dynamics of cD clusters of galaxies. II: Analysis of seven Abell clusters

We have investigated the dynamics of the seven Abell clusters A193, A399, A401, A1795, A1809, A2063, and A2124, based on redshift data reported previously by us (Hill & Oegerle, (1993)). These papers present the initial results of a survey of cD cluster kinematics, with an emphasis on studying the nature of peculiar velocity cD galaxies and their parent clusters. In the current sample, we find no evidence for significant peculiar cD velocities, with respect to the global velocity distribution. However, the cD in A2063 has a significant (3 sigma) peculiar velocity with respect to galaxies in the inner 1.5 Mpc/h, which is likely due to the merger of a subcluster with A2063. We also find significant evidence for subclustering in A1795, and a marginally peculiar cD velocity with respect to galaxies within approximately 200 kpc/h of the cD. The available x-ray, optical, and galaxy redshift data strongly suggest that a subcluster has merged with A1795. We propose that the subclusters which merged with A1795 and A2063 were relatively small, with shallow potential wells, so that the cooling flows in these clusters were not disrupted. Two-body gravitational models of the A399/401 and A2063/MKW3S systems indicate that A399/401 is a bound pair with a total virial mass of approximately 4 x 10(exp 15) solar mass/h, while A2063 and MKW3S are very unlikely to be bound.

Oegerle, William R.↗

Characterization of precipitates in CdTe and Cd(1-x)Zn(x)Te grown by vertical Bridgman-Stockbarger technique

Different polishing solutions were tested for exposing precipitates in CdTe and Cd(0.96)Zn(0.04) single crystals grown by vertical Bridgman-Stockbarger technique. A solution of 5-7% Br2 in methanol and E-solution were both effective. High resolution scanning electron microscopy with energy dispersive spectroscopy (SEM/EDS) was employed to characterize those exposed precipitates. Most of the polyhedral-shaped Te precipitates with a size range from 3 to 20 microns had voids inside. Partially dissolved Te precipitates were observed in CdTe samples that had been annealed in Cd vapor at 700 C for 10 min. Isolated areas mis-oriented from the matrix were observed in CdTe and Cd(0.96)Zn(0.04)Te that had been annealed in Cd vapor at 700 C for 20 and 50 h, respectively. Te precipitate images were recorded with EDS. By SEM/EDS, Cd-rich precipitates were observed in some Cd-annealed CdTe. C and Na impurities were detected in some Te precipitates.

Shen, J.↗

TAG CD-ROM

The purpose of this project was to produce a CD-ROM for the Technology Applications Group. The CD was being developed to allow interested people, organizations, or companies to view the technologies available to them that were developed by NASA research. The CD's main audience however, is any small business. The CD will give the small business an opportunity to see what technologies are available in an inexpensive manner. Most companies probably have a CD-ROM drive on their computers but may not have access to the internet. By using only the internet to inform on the technologies, NASA was not considering a large segment of the population. The CD-ROM can now cover that group of the population.

Rivera, Myrna Syamara↗