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At least 181 records · Page 10

Nature of size-dependent lattice distortions in doped CeO{sub 2}

Electron paramagnetic resonance spectroscopy of Gd{sup 3+} probe ions is used to investigate the nature of size dependent lattice distortions in bulk and nanocrystalline CeO{sub 2} with crystallite sizes of 600 and 10 nm, respectively, and doped with 0.5 and 1 cation% Y. The Gd{sup 3+} ions in bulk CeO{sub 2} are primarily located in almost perfect cubic crystal field, and the presence of the nearest neighbor vacancies results in trigonal distortion of this crystal field. In contrast, for nanocrystalline ceria, although the long-range symmetry remains unchanged, decreasing size results in local distortion of the crystal-field that is significantly different than that induced by the presence of nearest-neighbor oxygen vacancies. Different types of distortions are observed for the cation sites in the core and the surface regions of the nanocrystallites. Such lattice distortions at short-range are fundamental to the nanocrystalline state, being related to the increased ratio of the surface:bulk energy at nanometer length scales and provides mechanistic understanding of previously reported lattice parameter changes and phase transitions in nanocrystalline oxides.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electrical and dielectric properties of ZnO and CeO{sub 2} doped ZrTi{sub 2}O{sub 6} ceramic

Zirconium oxide (ZrO{sub 2}) and titanium dioxide (TiO{sub 2}) are the important catalyst supports, since it has acidic and basic properties. The intermediate phase zirconium titanate ZrTi{sub 2}O{sub 6}, which is a solid solution with Zr:Ti ratio 1:2 has outstanding dielectric properties. The effects of doping of ZnO and CeO{sub 2} on the dielectric and electrical properties of ZrTi{sub 2}O{sub 6} ceramic are investigated. On adding 0.5 wt% ZnO, the dielectric constant is increased but, on adding CeO{sub 2}, the dielectric constant is decreased. The bulk density of pure sample sintered at 1530 °C is 91% of theoretical density while that of the doped samples sintered at 1450 °C is more than 94% of theoretical density. Scanning electron micrographs reveal that the samples are well sintered with minimum porosity. The semicircle behavior in the Cole-Cole plots at room temperature reveals that the samples are good ionic conductor. The induced impedance is reduced for doped samples and this can be used as a material for electrolyte in Solid Oxide Fuel Cell.

36 MATERIALS SCIENCE↗

Structural and dielectric properties of Cu doped CeO{sub 2}

In the present work, we report the structural and dielectric properties of Cu doped CeO{sub 2} compounds synthesized by solid state reaction method. X-ray diffraction study confirms the formation of cubic phase with Fm-3m space group corresponding to fluorite CeO{sub 2} structure. The crystallite size was found to decrease with Cu concentration. Furthermore, the dielectric measurements were carried out by varying frequency in the temperature range of 120 to 380 K. It has been found that the increase in Cu concentration in the host lattice leads to an enhancement in dielectric constant.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of oxidizer to fuel molar ratio on particle size and DC conductivity of CeO{sub 2} nanoparticles

Cerium oxide nanoparticles were synthesized by solution combustion method with varying the oxidizer (cerium nitrate hexa hydrate) to fuel (Glycine) molar ratio. The prepared samples were characterized by UV-visible spectrometer, X-ray diffractometer (XRD), Scanning electron microscope (SEM) and Energy dispersive X-Ray analysis (EDAX). XRD pattern reveals the formation of cubic fluorite structure of CeO{sub 2}. It was observed that finest crystallites were found at extreme fuel-deficient condition and it is good enough to produce favorable powder characteristics. The average crystallite size was found to be 14.46 nm to 21.57 nm. The temperature dependent dc conductivity was carried out using Keithley source meter between the temperature range from 300 K to 573 K. From this study it was found that the conductivity increases with increase of temperature due to semiconducting behavior of CeO{sub 2} and it decreases with particle size due to increase in the energy band gap.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Structural, morphological and optical properties of CeO{sub 2} thin films deposited by RF sputtering

Cerium oxide (CeO{sub 2}) thin films were deposited on glass substrates by sputtering at various substrate temperatures. CeO{sub 2} films were characterized by X-ray diffraction, FESEM, PL and Raman analyses. X-ray diffraction patterns of films reveal fcc cubic structure with preferential orientation along (2 2 0) crystallographic plane. SEM images show that the particles are uniformly distributed on the film surface. The films were found to be well adheared to the substrates and pin holes are not observed on the surface of the films. PL spectra exhibits a strong near band-gap-edge emission and a broad blue, green luminescence, which can be assigned to the presence of Ce and O vacancies, amorphous phases, deep level impurities and structural defects. The relative intensity between the different peaks of the bands related to defects or impurities was studied as a tool for quality control of the films. Moreover, vibrational measurements through Raman analysis were carried out and the results are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Yield strength of CeO 2 measured from static compression in a radial diamond anvil cell

Cerium oxide (ceria, CeO 2 ) is frequently used as a standard in applications such as synchrotron and x-ray free electron lasers for calibrating x-ray wavelengths and offers the potential for understanding the high pressure properties and deformation mechanisms in a wide range of similar face centered cubic (fcc) materials. In this study, the pressure dependence of the strength of ceria was investigated up to 38 GPa using angle dispersive x-ray diffraction in a radial geometry in a diamond anvil cell. In this experiment, the difference in the stress along the axis of compression and perpendicular to the direction of compression can be determined, giving a quantity known as the differential stress. It was found that the differential stress (t), a measure of the lower bound for yield strength, initially increases rapidly from 0.35 ± 0.06 GPa to 2.2 ± 0.4 GPa at pressures of 1.8 and 3.8 GPa, respectively. Above 4 GPa, t increases more slowly to 13.8 ± 2.6 GPa at a pressure of 38 GPa. The changes in the preferred orientation (texture) of CeO 2 with pressure were also measured, allowing for the determination of active deformation mechanisms using an elasto-viscoplastic self-consistent model (EVPSC). It was found that as pressure increased, the [001] direction had a slight preferred orientation along the axis of compression. Our EVPSC model of experimental fiber (cylindrically symmetric) textures and lattice strains were most consistent with dominant slip activity along ${111}$ $\langle$$1\bar10$$\rangle$.

36 MATERIALS SCIENCE↗

Development of Xe and Kr empirical potentials for CeO 2 , ThO 2 , UO 2 and PuO 2 , combining DFT with high temperature MD

In this study, the development of embedded atom method (EAM) many-body potentials for actinide oxides and associated mixed oxide (MOX) systems has motivated the development of a complementary parameter set for gas-actinide and gas-oxygen interactions. A comprehensive set of density functional theory (DFT) calculations were used to study Xe and Kr incorporation at a number of sites in CeO 2 , ThO 2 , UO 2 and PuO 2 . These structures were used to fit a potential, which was used to generate molecular dynamics (MD) configurations incorporating Xe and Kr at 300 K, 1500 K, 3000 K and 5000 K. Subsequent matching to the forces predicted by DFT for these MD configurations was used to refine the potential set. This fitting approach ensured weighted fitting to configurations that are thermodynamically significant over a broad temperature range, while avoiding computationally expensive DFT-MD calculations. The resultant gas potentials were validated against DFT trapping energies and are suitable for simulating combinations of Xe and Kr in solid solutions of CeO 2 , ThO 2 , UO 2 and PuO 2 , providing a powerful tool for the atomistic simulation of conventional nuclear reactor fuel UO 2 as well as advanced MOX fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Water-promoted interfacial pathways in methane oxidation to methanol on a CeO 2 -Cu 2 O catalyst

Highly selective oxidation of methane to methanol has long been challenging in catalysis. Here, we reveal key steps for the pro­motion of this reaction by water when tuning the selectivity of a well-defined CeO 2 /Cu 2 O/Cu(111) catalyst from carbon monoxide and carbon dioxide to methanol under a reaction environment with methane, oxygen, and water. Ambient-pressure x-ray photoelectron spectroscopy showed that water added to methane and oxygen led to surface methoxy groups and accelerated methanol production. These results were consistent with density functional theory calculations and kinetic Monte Carlo simulations, which showed that water preferentially dissociates over the active cerium ions at the CeO 2 –Cu 2 O/Cu(111) interface. The adsorbed hydroxyl species blocked O-O bond cleavage that would dehydrogenate methoxy groups to carbon monoxide and carbon dioxide, and it directly converted this species to methanol, while oxygen reoxidized the reduced surface. Water adsorption also displaced the produced methanol into the gas phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

(U) Analysis of shock-initiated PBX-9501 through porous CeO 2

The attenuation properties of an impact initiated PBX-9501 explosive through several thicknesses of CeO 2 powder is investigated. The CeO 2 is at an initial porous density of 4.0 g/cm 3 , roughly 55 % of theoretical maximum density. Measurements of the input (into the powder) and propagated (through the powder) wave profiles are measured using optical velocimetry. Results show a reduction of the average wave speed, C X , and peak steady-state material velocity, uP , with increasing powder thickness from 1.5 - 5.0 mm.

36 MATERIALS SCIENCE↗

Unusual Phase Diagram of CeOs 4 Sb 12

Filled skutterudite compounds, with the formula MT 4 X 12 , where M is an alkali metal, alkaline-earth, lanthanide, or actinide, T is Fe, Ru, or Os, and X is P, As, or Sb, display a wide variety of interesting phenomena caused by strong electron correlations [1]. Among these, the three compounds CeOs 4 Sb 12 , PrOs 4 Sb 12 , and NdOs 4 Sb 12 , formed by employing Periodic Table neighbors for M, span the range from an antiferromagnetic (AFM) semimetal (M = Ce) via a 1.85 K unconventional (quadrupolar-fluctuation mediated) superconductor (M = Pr) to a 1 K ferromagnet (FM; M = Nd). In the course of an extended study of these compounds, we uncovered an unusual phase diagram for CeOs 4 Sb 12 .

36 MATERIALS SCIENCE↗

LDRD 227829: Multifunctional Composite LDRD: Radiation Effect on CeO 2 -HDPE Composites

Commercial high-density polyethylene (HDPE) is lightweight with excellent mechanical properties but has limited thermal stability. To enhance this, lanthanide-based nanomaterials like CeO 2 were mixed with HDPE. Using a twin-screw extruder improved dispersion. This study examines the effects of neutron, X-rays and gamma radiation on the crystallinity of polymer of CeO 2 -HDPE composites.

36 MATERIALS SCIENCE↗

The CEOS Constellations: A Framework for Building the Space Component of GEOSS

This viewgraph presentation reviews the Committee on Earth Observations Secretariat (CEOS). CEOS was formed to promote coordination between member organizations and cooperation in the development of Earth observing satellites. The Virtual Constellation concept is an approach to facilitate agreements, develop standards, and address shortcomings in the international planning process.

Killough, Brian D., Jr.↗

CEOS SEO and GISS Meeting

The Committee on Earth Observation Satellites (CEOS) provides a brief to the Goddard Institute for Space Studies (GISS) regarding the CEOS Systems Engineering Office (SEO) and current work on climate requirements and analysis. A "system framework" is provided for the Global Earth Observation System of Systems (GEOSS). SEO climate-related tasks are outlined including the assessment of essential climate variable (ECV) parameters, use of the "systems framework" to determine relevant informational products and science models and the performance of assessments and gap analyses of measurements and missions for each ECV. Climate requirements, including instruments and missions, measurements, knowledge and models, and decision makers, are also outlined. These requirements would establish traceability from instruments to products and services allowing for benefit evaluation of instruments and measurements. Additionally, traceable climate requirements would provide a better understanding of global climate models.

Killough, Brian↗

CEOS Land Surface Imaging Constellation Mid-Resolution Optical Guidelines

The LSI community of users is large and varied. To reach all these users as well as potential instrument contributors this document has been organized by measurement parameters of interest such as Leaf Area Index and Land Surface Temperature. These measurement parameters and the data presented in this document are drawn from multiple sources, listed at the end of the document, although the two primary ones are "The Space-Based Global Observing System in 2010 (GOS-2010)" that was compiled for the World Meteorological Organization (WMO) by Bizzarro Bizzarri, and the CEOS Missions, Instruments, and Measurements online database (CEOS MIM). For each measurement parameter the following topics will be discussed: (1) measurement description, (2) applications, (3) measurement spectral bands, and (4) example instruments and mission information. The description of each measurement parameter starts with a definition and includes a graphic displaying the relationships to four general land surface imaging user communities: vegetation, water, earth, and geo-hazards, since the LSI community of users is large and varied. The vegetation community uses LSI data to assess factors related to topics such as agriculture, forest management, crop type, chlorophyll, vegetation land cover, and leaf or canopy differences. The water community analyzes snow and lake cover, water properties such as clarity, and body of water delineation. The earth community focuses on minerals, soils, and sediments. The geo-hazards community is designed to address and aid in emergencies such as volcanic eruptions, forest fires, and large-scale damaging weather-related events.

Keyes, Jennifer P.↗

The Namibia Early Flood Warning System, A CEOS Pilot Project

Over the past year few years, an international collaboration has developed a pilot project under the auspices of Committee on Earth Observation Satellite (CEOS) Disasters team. The overall team consists of civilian satellite agencies. For this pilot effort, the development team consists of NASA, Canadian Space Agency, Univ. of Maryland, Univ. of Colorado, Univ. of Oklahoma, Ukraine Space Research Institute and Joint Research Center(JRC) for European Commission. This development team collaborates with regional , national and international agencies to deliver end-to-end disaster coverage. In particular, the team in collaborating on this effort with the Namibia Department of Hydrology to begin in Namibia . However, the ultimate goal is to expand the functionality to provide early warning over the South Africa region. The initial collaboration was initiated by United Nations Office of Outer Space Affairs and CEOS Working Group for Information Systems and Services (WGISS). The initial driver was to demonstrate international interoperability using various space agency sensors and models along with regional in-situ ground sensors. In 2010, the team created a preliminary semi-manual system to demonstrate moving and combining key data streams and delivering the data to the Namibia Department of Hydrology during their flood season which typically is January through April. In this pilot, a variety of moderate resolution and high resolution satellite flood imagery was rapidly delivered and used in conjunction with flood predictive models in Namibia. This was collected in conjunction with ground measurements and was used to examine how to create a customized flood early warning system. During the first year, the team made use of SensorWeb technology to gather various sensor data which was used to monitor flood waves traveling down basins originating in Angola, but eventually flooding villages in Namibia. The team made use of standardized interfaces such as those articulated under the Open Cloud Consortium (OGC) Sensor Web Enablement (SWE) set of web services was good [1][2]. However, it was discovered that in order to make a system like this functional, there were many performance issues. Data sets were large and located in a variety of location behind firewalls and had to be accessed across open networks, so security was an issue. Furthermore, the network access acted as bottleneck to transfer map products to where they are needed. Finally, during disasters, many users and computer processes act in parallel and thus it was very easy to overload the single string of computers stitched together in a virtual system that was initially developed. To address some of these performance issues, the team partnered with the Open Cloud Consortium (OCC) who supplied a Computation Cloud located at the University of Illinois at Chicago and some manpower to administer this Cloud. The Flood SensorWeb [3] system was interfaced to the Cloud to provide a high performance user interface and product development engine. Figure 1 shows the functional diagram of the Flood SensorWeb. Figure 2 shows some of the functionality of the Computation Cloud that was integrated. A significant portion of the original system was ported to the Cloud and during the past year, technical issues were resolved which included web access to the Cloud, security over the open Internet, beginning experiments on how to handle surge capacity by using the virtual machines in the cloud in parallel, using tiling techniques to render large data sets as layers on map, interfaces to allow user to customize the data processing/product chain and other performance enhancing techniques. The conclusion reached from the effort and this presentation is that defining the interoperability standards in a small fraction of the work. For example, once open web service standards were defined, many users could not make use of the standards due to security restrictions. Furthermore, once an interoperable sysm is functional, then a surge of users can render a system unusable, especially in the disaster domain.

Mandl, Daniel↗

CEOS Virtual Data Repositories for WGISS Data Assets

The Committee on Earth Observation Satellites (CEOS), established in 1984 to coordinate civil space-borne observations of the Earth, through its Working Group on Information Systems and Services (WGISS) has been working towards aligning data repositories held by each of the member international agencies. The CEOS agencies hold a vast amount of earth observation data across science domains. WGISS has been working to agree on community standards for data and information discovery and to increase the interoperability and alignment among the member data repositories.

Enloe, Yonsook↗

Materials Data on CeO by Materials Project

CeO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded to six equivalent O atoms to form a mixture of edge and corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–O bond lengths are 2.49 Å. O is bonded to six equivalent Ce atoms to form a mixture of edge and corner-sharing OCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗