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3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate (open access)

3-Center-4-Electron Bonding in [(silox)2Mo=NtBu]2(μ-Hg) Controls Reactivity while Frontier Orbitals Permit a Dimolybdenum π-Bond Energy Estimate

Article describing research on 3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg).
Date: May 18, 2005
Creator: Rosenfeld, Devon C.; Wolczanski, Peter T.; Barakat, Khaldoon A.; Buda, Corneliu & Cundari, Thomas R., 1964-
System: The UNT Digital Library
Many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions (open access)

Many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions

This article discusses many-body effects in the 4f x-ray photoelectron spectroscopy of the U5+ and U4+ free ions.
Date: May 31, 2005
Creator: Ilton, Eugene S. & Bagus, Paul S.
System: The UNT Digital Library
Nucleation of β-FeSi2 nanostructures at pinned step bunches on the Si(111) surface (open access)

Nucleation of β-FeSi2 nanostructures at pinned step bunches on the Si(111) surface

This article discusses nucleation of β-FeSi2 nanostructures at pinned step bunches on the Si(111) surface.
Date: May 24, 2005
Creator: Brady, Ryan P.; Sharma, A. S.; Giblet, R. L.; Cottier, Ryan J.; Golding, Terry D. & Pérez, José M.
System: The UNT Digital Library
Thermochemical and Theoretical Studies of Dimethylpyridine-2,6-dicarboxylate and Pyridine-2,3-, Pyridine-2,5-, and Pyridine-2,6-dicarboxylic Acids (open access)

Thermochemical and Theoretical Studies of Dimethylpyridine-2,6-dicarboxylate and Pyridine-2,3-, Pyridine-2,5-, and Pyridine-2,6-dicarboxylic Acids

Article discussing thermochemical and theoretical studies of dimethylpyridine-2,6-dicarboxylate and pyridine-2,3-, pyridine-2,5- and pyridine-2,6-dicarboxylic acids.
Date: May 6, 2005
Creator: Matos, M. Agostinha R.; Morais, Victor M. F.; Silva, Maria D. M. C. Ribeiro da; Marques, Marta C. F.; Sousa, Emanuel A.; Castiñeiras, Jorge P. et al.
System: The UNT Digital Library
Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)] (open access)

Erratum: First-Principles Theory of Correlated Transport through Nanojunctions [Phys. Rev. Lett. 94, 116802 (2005)]

This article provides the correction of an equation that was misprinted in Physical Review Letters 94, 116802 (2005).
Date: May 6, 2005
Creator: Ferretti, A.; Calzolari, Arrigo; Di Felice, Rosa; Manghi, Franca; Caldas, Marilia J.; Buongiorno Nardelli, Marco et al.
System: The UNT Digital Library
The Dissociation Enthalpies of Terminal (N--O) Bonds in Organic Compounds (open access)

The Dissociation Enthalpies of Terminal (N--O) Bonds in Organic Compounds

Article on the dissociation enthalpies of terminal (N-O) bonds in organic compounds.
Date: May 27, 2005
Creator: Acree, William E. (William Eugene); Pilcher, Geoffrey & Silva, Maria D. M. C. Ribeiro da
System: The UNT Digital Library
Relaciones alométricas y patrones de crecimiento para especies de árboles de la reserva forestal Imataca, Venezuela (open access)

Relaciones alométricas y patrones de crecimiento para especies de árboles de la reserva forestal Imataca, Venezuela

Article discussing allometric relations and growth patterns for tree species in the Imataca Forest Reserve, Venezuela.
Date: May 2005
Creator: Delgado, Luz A.; Acevedo, Miguel F.; Castellanos, Hernán; Angulo, Hirma Ramírez & Serrano, Julio
System: The UNT Digital Library
Calculation of the Viscosity of Binary Liquids at Various Temperatures Using Jouyban-Acree Model (open access)

Calculation of the Viscosity of Binary Liquids at Various Temperatures Using Jouyban-Acree Model

Article discussing the calculation of the viscosity of binary liquids at various temperatures using Jouyban-Acree model.
Date: May 1, 2005
Creator: Jouyban, Abolghasem; Khoubnasabjafari, Maryam; Vaez-Gharamaleki, Zahra; Fekari, Zohreh & Acree, William E. (William Eugene)
System: The UNT Digital Library
Highly Compressed Ion Beam for High Energy Density Science (open access)

Highly Compressed Ion Beam for High Energy Density Science

The Heavy Ion Fusion Virtual National Laboratory is developing the intense ion beams needed to drive matter to the High Energy Density regimes required for Inertial Fusion Energy and other applications. An interim goal is a facility for Warm Dense Matter studies, wherein a target is heated volumetrically without being shocked, so that well-defined states of matter at 1 to 10 eV are generated within a diagnosable region. In the approach they are pursuing, low to medium mass ions with energies just above the Bragg peak are directed onto thin target ''foils,'' which may in fact be foams with mean densities 1% to 10% of solid. This approach complements that being pursued at GSI Darmstadt, wherein high-energy ion beams deposit a small fraction of their energy in a cylindrically target. They present the beam requirements for Warm Dense Matter experiments. The authors discuss neutralized drift compression and final focus experiments and modeling. They describe suitable accelerator architectures based on Drift-Tube Linac, RF, single-gap, Ionization-Front Accelerator, and Pulse-Line Ion Accelerator concepts. The last of these is being pursued experimentally. Finally, they discuss plans toward a user facility for target experiments.
Date: May 16, 2005
Creator: Friedman, A.; Barnard, J. J.; Briggs, R. J.; Callahan, D. A.; Caporaso, G. J.; Celata, C. M. et al.
System: The UNT Digital Library
Methods of Attosecond X-Ray Pulse Generation (open access)

Methods of Attosecond X-Ray Pulse Generation

We review several proposals for generation of solitary attosecond pulses using two types of free electron lasers which are envisioned as future light sources for studies of ultra-fast dynamics using soft and hard x-rays.
Date: May 8, 2005
Creator: Zholents, Alexander
System: The UNT Digital Library
The Slice Balance Approach (SBA): A Characteristic-Based, Multiple Balance Sn Approach on Unstructured Polyhedral Meshes (open access)
Accurate Iterative Analysis of the K-V Equations (open access)

Accurate Iterative Analysis of the K-V Equations

Those working with alternating-gradient (A-G) systems look for simple, accurate ways to analyze A-G performance for matched beams. The useful K-V equations are easily solved in the smooth approximation. This approximate solution becomes quite inaccurate for applications with large focusing fields and phase advances. Results of efforts to improve the accuracy have tended to be indirect or complex. Their generalizations presented previously gave better accuracy in a simple explicit format. However, the method used to derive their results (expansion in powers of a small parameter) was complex and hard to follow; also, reference 7 only gave low-order correction formulas. The present paper uses a straightforward iteration method and obtains equations of higher order than shown in their previous paper.
Date: May 9, 2005
Creator: Anderson, O. A.
System: The UNT Digital Library
An Accelerator Control Middle Layer Using MATLAB (open access)

An Accelerator Control Middle Layer Using MATLAB

Matlab is an interpretive programming language originally developed for convenient use with the LINPACK and EISPACK libraries. Matlab is appealing for accelerator physics because it is matrix-oriented, provides an active workspace for system variables, powerful graphics capabilities, built-in math libraries, and platform independence. A number of accelerator software toolboxes have been written in Matlab -- the Accelerator Toolbox (AT) for model-based machine simulations, LOCO for on-line model calibration, and Matlab Channel Access (MCA) to connect with EPICS. The function of the MATLAB ''MiddleLayer'' is to provide a scripting language for machine simulations and on-line control, including non-EPICS based control systems. The MiddleLayer has simplified and streamlined development of high-level applications including configuration control, energy ramp, orbit correction, photon beam steering, ID compensation, beam-based alignment, tune correction and response matrix measurement. The database-driven Middle Layer software is largely machine-independent and easy to port. Six accelerators presently use the software package with more scheduled to come on line soon.
Date: May 15, 2005
Creator: Portmann, Gregory J.; Corbett, Jeff & Terebilo, Andrei
System: The UNT Digital Library
A Comparative Analysis of Community Wind Power DevelopmentModels (open access)

A Comparative Analysis of Community Wind Power DevelopmentModels

For years, farmers in the United States have looked with envy on their European counterparts ability to profitably farm the wind through ownership of distributed, utility-scale wind projects. Only within the past few years, however, has farmer- or community-owned windpower development become a reality in the United States. The primary hurdle to this type of development in the United States has been devising and implementing suitable business and legal structures that enable such projects to take advantage of tax-based federal incentives for windpower. This article discusses the limitations of such incentives in supporting farmer- or community-owned wind projects, describes four ownership structures that potentially overcome such limitations, and finally conducts comparative financial analysis on those four structures, using as an example a hypothetical 1.5 MW farmer-owned project located in the state of Oregon. We find that material differences in the competitiveness of each structure do exist, but that choosing the best structure for a given project will largely depend on the conditions at hand; e.g., the ability of the farmer(s) to utilize tax credits, preference for individual versus cooperative ownership, and the state and utility service territory in which the project will be located.
Date: May 20, 2005
Creator: Bolinger, Mark; Wiser, Ryan; Wind, Tom; Juhl, Dan; Grace, Robert & West, Peter
System: The UNT Digital Library
Fabrication of the prototype 201.25 mhz cavity for a muon ionization cooling experiment (open access)

Fabrication of the prototype 201.25 mhz cavity for a muon ionization cooling experiment

We describe the fabrication and assembly of the first prototype 201. 25 MHz copper cavity for the muon ionization cooling experiment (MICE). This cavity was developed by the US MUCOOL collaboration and will be tested in the new MUCOOL Test Area at Fermilab. We outline the component and subassembly fabrication steps and the various metal forming and joining methods used to produce the final cavity shape. These include spinning, brazing, TIG welding, electron beam welding, electron beam annealing and deep drawing. Some of the methods developed for this cavity are novel and offer significant cost savings over conventional methods.
Date: May 20, 2005
Creator: Rimmer, R. A.; Manning, S.; Manus, R.; Phillips, L.; Stirbet, M.; Worland, K. et al.
System: The UNT Digital Library
Colloidal nanocrystal synthesis and the organic-inorganicinterface (open access)

Colloidal nanocrystal synthesis and the organic-inorganicinterface

Colloidal nanocrystals are nanometer-sized, solution-grown inorganic particles stabilized by a layer of surfactants attached to their surface. The inorganic cores exhibit useful properties controlled by composition as well as size and shape, while the surfactant coating ensures that these structures are easy to fabricate and process. It is this combination of features that makes colloidal nanocrystals attractive and promising building blocks for advanced materials and devices. But their full potential can only be exploited if we achieve exquisite control over their composition, size, shape, crystal structure and surface properties. Here we review what is known about nanocrystal growth and outline strategies for controlling it.
Date: May 12, 2005
Creator: Yin, Yadong & Alivisatos, A. Paul
System: The UNT Digital Library
SCC Initiation Testing of Nickel-Based Alloys Using In-Situ Monitored Uniaxial Tensile Specimens (open access)

SCC Initiation Testing of Nickel-Based Alloys Using In-Situ Monitored Uniaxial Tensile Specimens

None
Date: May 17, 2005
Creator: Richey, E; Morton, D & Schurman, M
System: The UNT Digital Library
Evidence against a charge density wave on Bi(111) (open access)

Evidence against a charge density wave on Bi(111)

The Bi(111) surface was studied by scanning tunneling microscopy (STM), transmission electron microscopy (TEM) and angle-resolved photoemission (ARPES) in order to verify the existence of a recently proposed surface charge density wave (CDW) [Ch. R. Ast and H. Hoechst Phys. Rev. Lett. 90, 016403 (2003)]. The STM and TEM results to not support a CDW scenario at low temperatures. Furthermore, the quasiparticle interference pattern observed in STM confirms the spin-orbit split character of the surface states which prevents the formation of a CDW, even in the case of good nesting. The dispersion of the electronic states observed with ARPES agrees well with earlier findings. In particular, the Fermi contour of the electron pocket at the centre of the surface Brillouin zone is found to have a hexagonal shape. However, no gap opening or other signatures of a CDW phase transition can be found in the temperature-dependent data.
Date: May 1, 2005
Creator: Kim, T. K.; Wells, J.; Kirkegaard, C.; Li, Z.; Hoffmann, S.V.; Gayone, J. E. et al.
System: The UNT Digital Library
Technique for the Generation of Attosecond X-Ray Pulses Using anFEL (open access)

Technique for the Generation of Attosecond X-Ray Pulses Using anFEL

We describe a technique for the generation of an isolated burst of X-ray radiation with a duration of {approx} 100 attoseconds in a free electron laser (FEL) employing self-amplified spontaneous emission. Our scheme relies on an initial interaction of the electron beam with an ultra-short laser pulse in a one-period wiggler followed by compression in a dispersive section. The result of this interaction is to create a sub-femtosecond slice of the electron beam with enhanced growth rates for FEL amplification. After many gain lengths through the FEL undulator, the X-ray output from this slice dominates the radiation of the entire bunch. We consider the impact of various effects on the efficiency of this technique. Different configurations are considered in order to realize various timing structures for the resulting radiation.
Date: May 11, 2005
Creator: Penn, G. & Zholents, A.A.
System: The UNT Digital Library
Particle-in-cell simulations of lower-density CM-scale capillary channels (open access)

Particle-in-cell simulations of lower-density CM-scale capillary channels

Capillary channels of cm-length and at plasma density low compared to gas jets are promising setups for low noise laser wakefield acceleration. Computationally, however, the large discrepancy of the length scales of the plasma and the laser are a big challenge. Methods are therefore sought that relax the need to concurrently resolve both length scales. Average methods, which split the electromagnetic field into a fast and a slowly varying part, allow to relax the constraint to resolve the laser wavelength. Such an envelope model is currently being incorporated into the VORPAL plasma simulation code. Simulation results for benchmark cases and for laser pulse propagation in a cm-scale channel are presented.
Date: May 1, 2005
Creator: Messmer, P.; Bruhwiler, D.; Dimitrov, D.; Stoltz, P.; Leemans, W. P.; Esarey, E. et al.
System: The UNT Digital Library
Identifying the Basal Angiosperm Node in Chloroplast GenomePhylogenies: Sampling One's Way Out of the Felsenstein Zone (open access)

Identifying the Basal Angiosperm Node in Chloroplast GenomePhylogenies: Sampling One's Way Out of the Felsenstein Zone

While there has been strong support for Amborella and Nymphaeales (water lilies) as branching from basal-most nodes in the angiosperm phylogeny, this hypothesis has recently been challenged by phylogenetic analyses of 61 protein-coding genes extracted from the chloroplast genome sequences of Amborella, Nymphaea and 12 other available land plant chloroplast genomes. These character-rich analyses placed the monocots, represented by three grasses (Poaceae), as sister to all other extant angiosperm lineages. We have extracted protein-coding regions from draft sequences for six additional chloroplast genomes to test whether this surprising result could be an artifact of long-branch attraction due to limited taxon sampling. The added taxa include three monocots (Acorus, Yucca and Typha), a water lily (Nuphar), a ranunculid(Ranunculus), and a gymnosperm (Ginkgo). Phylogenetic analyses of the expanded DNA and protein datasets together with microstructural characters (indels) provided unambiguous support for Amborella and the Nymphaeales as branching from the basal-most nodes in the angiospermphylogeny. However, their relative positions proved to be dependent on method of analysis, with parsimony favoring Amborella as sister to all other angiosperms, and maximum likelihood and neighbor-joining methods favoring an Amborella + Nympheales clade as sister. The maximum likelihood phylogeny supported the later hypothesis, but the likelihood for …
Date: May 27, 2005
Creator: Leebens-Mack, Jim; Raubeson, Linda A.; Cui, Liying; Kuehl,Jennifer V.; Fourcade, Matthew H.; Chumley, Timothy W. et al.
System: The UNT Digital Library
The rf experimental program in the fermilab mucool test area (open access)

The rf experimental program in the fermilab mucool test area

The rf R&D program for high-gradient, low frequency cavities to be used in muon cooling systems is underway in the Fermilab MUCOOL Test Area. Cavities at 805 and 201 MHz are used for tests of conditioning techniques, surface modification and breakdown studies. This work has the Muon Ionization Cooling Experiment (MICE) as its immediate goal and efficient muon cooling systems for neutrino sources and muon colliders as the long term goal. We study breakdown and dark current production under a variety of conditions.
Date: May 20, 2005
Creator: Norem, J.; Sandstrom, R.; Bross, A.; Moretti, A.; Qian, Z.; Torun, Y. et al.
System: The UNT Digital Library
Inline Monitors for the SRS Small Column Ion Exchange Process (open access)

Inline Monitors for the SRS Small Column Ion Exchange Process

A Small Column Ion Exchange (SCIX) system, designed by the Oak Ridge and Savannah River National Laboratories (ORNL and SRNL), is a potential way to reduce Cs-137 concentrations in high-level radioactive waste at the Savannah River Site (SRS). SRNL has developed gamma-ray monitors for six locations within the SCIX system to verify the proper operation of the ion exchange system, detect cesium breakthrough, and confirm the presence of cesium before and after used resin is transferred to a grinder module. Two sodium iodide breakthrough monitors, one Geiger-Mueller breakthrough monitor, and three Geiger-Mueller transfer monitors were used. The present work provides a means of measuring the Cs-137 and Ba-137m breakthrough by taking multiple measurements in a process flow diversion and isolation loop. A lead shield was used for the NaI detectors, and the aperture of the collimator tube in this shield was designed using Monte Carlo analyses to provide the desired count rate for the gamma rays of interest. A computer program was written to collect data from the process monitors, provide alarm notification, and plot the data for ease of operation.
Date: May 16, 2005
Creator: Vito, Casella
System: The UNT Digital Library
Mismatch Oscillations in High Current Accelerators (open access)

Mismatch Oscillations in High Current Accelerators

When planning the design of high-current FODO transport for accelerators, it is useful to have simple, accurate tools for calculating quantities such as the phase advances {sigma}{sub 0} and !given the lattice and beam parameters. Along with the KV beam model, the smooth approximation is often used. It is simple but not very accurate in many cases. Although Struckmeier and Reiser [1] showed that the stable oscillation frequencies of mismatched beams could be obtained accurately, they actually used a hybrid approach where {sigma}{sub 0} and {sigma} were already known precisely. When starting instead with basic quantities such as quadrupole dimensions, field strength, beam line charge density and emittance, the smooth approximation gives substantial errors. Here we derive a simple modification of the smooth approximation formula that improves the accuracy of the predicted frequencies by a factor of five at {sigma}{sub 0} = 83{sup o}.
Date: May 3, 2005
Creator: Anderson, O. A.
System: The UNT Digital Library