Electronic Structure of CeFeAsO1-xFx (x=0, 0.11/x=0.12) compounds (open access)

Electronic Structure of CeFeAsO1-xFx (x=0, 0.11/x=0.12) compounds

We report an extensive study on the intrinsic bulk electronic structure of the high-temperature superconductor CeFeAsO{sub 0.89}F{sub 0.11} and its parent compound CeFeAsO by soft and hard x-ray photoemission, x-ray absorption and soft-x-ray emission spectroscopies. The complementary surface/bulk probing depth, and the elemental and chemical sensitivity of these techniques allows resolving the intrinsic electronic structure of each element and correlating it with the local structure, which has been probed by extended-x-ray absorption fine structure spectroscopy. The measurements indicate a predominant 4f{sup 1} (i.e. Ce{sup 3+}) initial state configuration for Cerium and an effective valence-band-to-4f charge-transfer screening of the core hole. The spectra also reveal the presence of a small Ce f{sup 0} initial state configuration, which we assign to the occurrence of an intermediate valence state. The data reveal a reasonably good agreement with the partial density of states as obtained in standard density functional calculations over a large energy range. Implications for the electronic structure of these materials are discussed.
Date: January 25, 2011
Creator: Bondino, F.; Magnano, E.; Booth, C. H.; Offi, F.; Panaccione, G.; Malvestuto, M. et al.
Object Type: Article
System: The UNT Digital Library
PILOT SCALE TESTING OF MONOSODIUM TITANATE MIXING FOR THE SRS SMALL COLUMN ION EXCHANGE PROCESS - 11224 (open access)

PILOT SCALE TESTING OF MONOSODIUM TITANATE MIXING FOR THE SRS SMALL COLUMN ION EXCHANGE PROCESS - 11224

The Small Column Ion Exchange (SCIX) process is being developed to remove cesium, strontium, and select actinides from Savannah River Site (SRS) Liquid Waste using an existing waste tank (i.e., Tank 41H) to house the process. Savannah River National Laboratory (SRNL) is conducting pilot-scale mixing tests to determine the pump requirements for suspending monosodium titanate (MST), crystalline silicotitanate (CST), and simulated sludge. The purpose of this pilot scale testing is to determine the requirements for the pumps to suspend the MST particles so that they can contact the strontium and actinides in the liquid and be removed from the tank. The pilot-scale tank is a 1/10.85 linear scaled model of SRS Tank 41H. The tank diameter, tank liquid level, pump nozzle diameter, pump elevation, and cooling coil diameter are all 1/10.85 of their dimensions in Tank 41H. The pump locations correspond to the proposed locations in Tank 41H by the SCIX program (Risers B5 and B2 for two pump configurations and Risers B5, B3, and B1 for three pump configurations). The conclusions from this work follow: (i) Neither two standard slurry pumps nor two quad volute slurry pumps will provide sufficient power to initially suspend MST in an SRS waste …
Date: January 25, 2011
Creator: Poirier, M.; Restivo, M.; Williams, M.; Herman, D. & Steeper, T.
Object Type: Article
System: The UNT Digital Library
Finite size effect on spread of resonance frequencies in arrays of coupled vortices (open access)

Finite size effect on spread of resonance frequencies in arrays of coupled vortices

Dynamical properties of magnetic vortices in arrays of magnetostatically coupled ferromagnetic disks are studied by means of a broadband ferromagnetic-resonance (FMR) setup. Magnetic force microscopy and magnetic transmission soft X-ray microscopy are used to image the core polarizations and the chiralities which are both found to be randomly distributed. The resonance frequency of vortex-core motion strongly depends on the magnetostatic coupling between the disks. The parameter describing the relative broadening of the absorption peak observed in the FMR transmission spectra for a given normalized center-to-center distance between the elements is shown to depend on the size of the array.
Date: January 25, 2011
Creator: Vogel, Andreas; Drews, André; Im, Mi-Young; Fischer, Peter & Meier, Guido
Object Type: Article
System: The UNT Digital Library
DYNA3D/ParaDyn Regression Test Suite Inventory (open access)

DYNA3D/ParaDyn Regression Test Suite Inventory

The following table constitutes an initial assessment of feature coverage across the regression test suite used for DYNA3D and ParaDyn. It documents the regression test suite at the time of production release 10.1 in September 2010. The columns of the table represent groupings of functionalities, e.g., material models. Each problem in the test suite is represented by a row in the table. All features exercised by the problem are denoted by a check mark in the corresponding column. The definition of ''feature'' has not been subdivided to its smallest unit of user input, e.g., algorithmic parameters specific to a particular type of contact surface. This represents a judgment to provide code developers and users a reasonable impression of feature coverage without expanding the width of the table by several multiples. All regression testing is run in parallel, typically with eight processors. Many are strictly regression tests acting as a check that the codes continue to produce adequately repeatable results as development unfolds, compilers change and platforms are replaced. A subset of the tests represents true verification problems that have been checked against analytical or other benchmark solutions. Users are welcomed to submit documented problems for inclusion in the test suite, …
Date: January 25, 2011
Creator: Lin, J I
Object Type: Report
System: The UNT Digital Library
Embodied Energy and Off-Grid Lighting (open access)

Embodied Energy and Off-Grid Lighting

The greenhouse gas (GHG) emissions from fuel-based lighting are substantial given the paltry levels of lighting service provided to users, leading to a great opportunity for GHG mitigation byencouraging the switch from fuel-based to rechargeable LED lighting. However, as with most new energy technology, switching to efficient lighting requires an up-front investment of energy(and GHGs) embedded in the manufacture of replacement components. We studied a population of off-grid lighting users in 2008-2009 in Kenya who were given the opportunity to adopt LEDlighting. Based on their use patterns with the LED lights and the levels of kerosene offset we observed, we found that the embodied energy of the LED lamp was"paid for" in only one month for grid charged products and two months for solar charged products. Furthermore, the energyreturn-on investment-ratio (energy produced or offset over the product's service life divided by energy embedded) for off-grid LED lighting ranges from 12 to 24, which is on par with on-gridsolar and large-scale wind energy. We also found that the energy embodied in the manufacture of a typical hurricane lantern is about one-half to one-sixth of that embodied in the particular LEDlights that we evaluated, indicating that the energy payback time would be …
Date: January 25, 2011
Creator: Alstone, Peter; Mills, Evan & Jacobson, Arne
Object Type: Report
System: The UNT Digital Library
Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines (open access)

Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines

Multiconfigurational, intermediate valent ground states are established in several methyl-substituted bipyridine complexes of bispentamethylcyclopentadienylytterbium, Cp*{sub 2} Yb(Me{sub x}-bipy). In contrast to Cp*{sub 2} Yb(bipy) and other substituted-bipy complexes, the nature of both the ground state and the first excited state are altered by changing the position of the methyl or dimethyl substitutions on the bipyridine rings. In particular, certain substitutions result in multiconfigurational, intermediate valent open-shell singlet states in both the ground state and the first excited state. These conclusions are reached after consideration of single-crystal x-ray diffraction (XRD), the temperature dependence of x-ray absorption near-edge structure (XANES), extended x-ray absorption fine-structure (EXAFS), and magnetic susceptibility data, and are supported by CASSCF-MP2 calculations. These results place the various Cp*{sub 2}Yb(bipy) complexes in a new tautomeric class, that is, intermediate-valence tautomers.
Date: January 25, 2011
Creator: Booth, Corwin H.; Kazhdan, Daniel; Werkema, Evan L.; Walter, Marc D.; Lukens, Wayne W.; Bauer, Eric D. et al.
Object Type: Article
System: The UNT Digital Library
Observations of the Temperature Dependent Response of Ozone to NOx Reductions in an Urban Plume (open access)

Observations of the Temperature Dependent Response of Ozone to NOx Reductions in an Urban Plume

Observations of NO{sub x} in the Sacramento, CA region show that mixing ratios decreased by 30% between 2001 and 2008. Here we use an observation-based method to quantify net ozone production rates in the outflow from the Sacramento metropolitan region and examine the O{sub 3} decrease resulting from reductions in NO{sub x} emissions. This observational method does not rely on assumptions about detailed chemistry of ozone production, rather it is an independent means to verify and test these assumptions. We use an instantaneous steady-state model as well as a detailed 1-D plume model to aid in interpretation of the ozone production inferred from observations. In agreement with the models, the observations show that early in the plume, the NO{sub x} dependence for O{sub x} (O{sub x} = O{sub 3}+NO{sub 2}) production is strongly coupled with temperature, suggesting that temperature dependent biogenic VOC emissions can drive O{sub x} production between NO{sub x}-limited and NO{sub x}-suppressed regimes. As a result, NO{sub x} reductions were found to be most effective at higher temperatures over the 7 year period. We show that violations of the California 1-hour O{sub 3} standard (90 ppb) in the region have been decreasing linearly with decreases in NO{sub x} …
Date: January 25, 2011
Creator: LaFranchi, B W; Goldstein, A H & Cohen, R C
Object Type: Article
System: The UNT Digital Library