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Structure of incommensurate gold sulfide monolayer on Au(111) (open access)

Structure of incommensurate gold sulfide monolayer on Au(111)

Two-dimensional confined systems, such as substrate-supported incommensurate layers, are of interest because their structural and electronic properties may differ from those of bulk materials. While advances in experimental techniques have resulted in the growth of many such interesting systems, progress can often be hampered by the lack of an atomistic-scale understanding of the structure, especially for incommensurate systems. In this work, we develop an atomic-scale model for an ordered incommensurate gold-sulfide (AuS) adlayer that has been previously demonstrated to exist on the Au(111) surface, following sulfur deposition and annealing to 450 K. We introduce theoretical techniques within density functional theory to take into account charge transfer in an incommensurate system and model scanning tunneling microscopy images, which are in good agreement with experiment. Our simulations indicate that this model is remarkably robust. We analyze the nature of bonding in this structure using state-of-the-art Wannier-function based techniques. Our analysis provides a natural explanation for the extraordinary robustness and unusual stoichiometry of this layer. This structure and its chemistry have implications for related S-Au interfaces, such as those in self-assembled monolayers of thiols on Au substrates.
Date: October 4, 2006
Creator: Quek, S Y; Biener, M M; Biener, J; Bhattacharjee, J; Friend, C M; Waghmare, U V et al.
System: The UNT Digital Library
A sampling-based Bayesian model for gas saturation estimationusing seismic AVA and marine CSEM data (open access)

A sampling-based Bayesian model for gas saturation estimationusing seismic AVA and marine CSEM data

We develop a sampling-based Bayesian model to jointly invertseismic amplitude versus angles (AVA) and marine controlled-sourceelectromagnetic (CSEM) data for layered reservoir models. The porosityand fluid saturation in each layer of the reservoir, the seismic P- andS-wave velocity and density in the layers below and above the reservoir,and the electrical conductivity of the overburden are considered asrandom variables. Pre-stack seismic AVA data in a selected time windowand real and quadrature components of the recorded electrical field areconsidered as data. We use Markov chain Monte Carlo (MCMC) samplingmethods to obtain a large number of samples from the joint posteriordistribution function. Using those samples, we obtain not only estimatesof each unknown variable, but also its uncertainty information. Thedeveloped method is applied to both synthetic and field data to explorethe combined use of seismic AVA and EM data for gas saturationestimation. Results show that the developed method is effective for jointinversion, and the incorporation of CSEM data reduces uncertainty influid saturation estimation, when compared to results from inversion ofAVA data only.
Date: April 4, 2006
Creator: Chen, Jinsong; Hoversten, Michael; Vasco, Don; Rubin, Yoram & Hou,Zhangshuan
System: The UNT Digital Library
TWO-PHASE FLOW STUDIES IN NUCLEAR POWER PLANT PRIMARY CIRCUITS USING THE THREE-DIMENSIONAL THERMAL-HYDRAULIC CODE BAGIRA. (open access)

TWO-PHASE FLOW STUDIES IN NUCLEAR POWER PLANT PRIMARY CIRCUITS USING THE THREE-DIMENSIONAL THERMAL-HYDRAULIC CODE BAGIRA.

In this paper we present recent results of the application of the thermal-hydraulic code BAGIRA to the analysis of complex two-phase flows in nuclear power plants primary loops. In particular, we performed benchmark numerical simulation of an integral LOCA experiment performed on a test facility modeling the primary circuit of VVER-1000. In addition, we have also analyzed the flow patterns in the VVER-1000 steam generator vessel for stationary and transient operation regimes. For both of these experiments we have compared the numerical results with measured data. Finally, we demonstrate the capabilities of BAGIRA by modeling a hypothetical severe accident for a VVER-1000 type nuclear reactor. The numerical analysis, which modeled all stages of the hypothetical severe accident up to the complete ablation of the reactor cavity bottom, shows the importance of multi-dimensional flow effects.
Date: June 4, 2006
Creator: KOHURT, P. (BNL), KALINICHENKO, S.D.; KROSHILIN, A.E.; KROSHILIN, V.E. & SMIRNOV, A.V.
System: The UNT Digital Library
LSST Detector Module and Raft Assembly Metrology Concepts (open access)

LSST Detector Module and Raft Assembly Metrology Concepts

None
Date: May 4, 2006
Creator: Takacs, P. Z.; O'Connor, P.; Radeka, V.; Mahler, G.; Frank. J. & Geary, J.
System: The UNT Digital Library
Booming Plutons: Source of microearthquakes in South Carolina (open access)

Booming Plutons: Source of microearthquakes in South Carolina

None
Date: January 4, 2006
Creator: Stevenson, Donald
System: The UNT Digital Library
A Universe Without Weak Interactions (open access)

A Universe Without Weak Interactions

None
Date: April 4, 2006
Creator: Harnik, Roni; Kribs, Graham D. & Perez, Gilad
System: The UNT Digital Library
Coordination of 1,4-Diazabutadiene Ligands to Decamethylytterbocene: Additional Examples of Spin Coupling in Ytterbocene Complexes (open access)

Coordination of 1,4-Diazabutadiene Ligands to Decamethylytterbocene: Additional Examples of Spin Coupling in Ytterbocene Complexes

The paramagnetic 1:1 coordination complexes of (C5Me5)2Yb with a series of diazabutadiene ligands, RN=C(R')C(R')=NR, where R= CMe3, CHMe2, adamantyl, p-tolyl, p-anisyl, and mesityl when R'=H, and R= p-anisyl when R'= Me, have been prepared. The complexes are paramagnetic, but their magnetic moments are less than expected for the two uncoupled spin carriers, (C5Me5)2Yb(III, 4f13) and the diazabutadiene radical anions (S=1/2), which implies exchange coupling between the spins. The variable temperature 1H NMR spectra show that rotation about the R-N bond is hindered and these barriers are estimated. The barriers are largely determined by steric effects but electronic effects are not unimportant.
Date: November 4, 2006
Creator: Andersen, Richard; Walter, Marc D.; Berg, David J. & Andersen, Richard A.
System: The UNT Digital Library
Scaling laws for collisionless laser-plasma interactions of relevance for laboratory astrophysics (open access)

Scaling laws for collisionless laser-plasma interactions of relevance for laboratory astrophysics

Scaling laws for interaction of ultra-intense laser beams with a collisionless plasmas are discussed. Special attention is paid to the problem of the collective ion acceleration. Symmetry arguments in application to the generation of the poloidal magnetic field are presented. A heuristic model for evaluating the magnetic field strength is proposed.
Date: April 4, 2006
Creator: Ryutov, D. D. & Rermington, B. A.
System: The UNT Digital Library
A Cartesian embedded boundary method for hyperbolic conservation laws (open access)

A Cartesian embedded boundary method for hyperbolic conservation laws

The authors develop an embedded boundary finite difference technique for solving the compressible two- or three-dimensional Euler equations in complex geometries on a Cartesian grid. The method is second order accurate with an explicit time step determined by the grid size away from the boundary. Slope limiters are used on the embedded boundary to avoid non-physical oscillations near shock waves. They show computed examples of supersonic flow past a cylinder and compare with results computed on a body fitted grid. Furthermore, they discuss the implementation of the method for thin geometries, and show computed examples of transonic flow past an airfoil.
Date: December 4, 2006
Creator: Sjogreen, B & Petersson, N A
System: The UNT Digital Library
Thomson scattering techniques in laser produced plasmas (open access)

Thomson scattering techniques in laser produced plasmas

Thomson scattering has been shown to be a valuable technique for measuring the plasma conditions in laser produced plasmas. Measurement techniques are discussed that use the ion-acoustic frequency measured from the collective Thomson-scattering spectrum to extract the electron temperature, ion temperature, plasma flow, and electron density in a laser produced plasma. In a recent study, they demonstrated a novel Thomson-scattering technique to measure the dispersion of ion-acoustic fluctuations that employing multiple color Thomson-scattering diagnostics. They obtained frequency-resolved Thomson-scattering spectra of the two separate thermal ion-acoustic fluctuations with significantly different wave vectors. This new technique allows a simultaneous time resolved local measurement of electron density and temperature. The plasma fluctuations are shown to become dispersive with increasing electron temperature. Furthermore, a Thomson-scattering technique to measure the electron temperature profile is presented where recent experiments have measured a large electron temperature gradient (Te = 1.4 keV to Te = 3.2 keV over 1.5-mm) along the axis of a 2-mm long hohlraum when heated asymmetrically.
Date: May 4, 2006
Creator: Froula, D. H.; Ross, J. S.; Divol, L.; MacKinnon, A. J.; Sorce, C. & Glenzer, S. H.
System: The UNT Digital Library
The Influence of Composition upon Surface Degradation and Stress Corrosion Cracking of the Ni-Cr-Mo Alloys in Wet Hydrofluoric Acid (open access)

The Influence of Composition upon Surface Degradation and Stress Corrosion Cracking of the Ni-Cr-Mo Alloys in Wet Hydrofluoric Acid

At concentrations below 60%, wet hydrofluoric acid (HF) is extremely corrosive to steels, stainless steels and reactive metals, such as titanium, zirconium, and tantalum. In fact, only a few metallic materials will withstand wet HF at temperatures above ambient. Among these are the nickel-copper (Ni-Cu) and nickel-chromium-molybdenum (Ni-Cr-Mo) alloys. Previous work has shown that, even with these materials, there are complicating factors. For example, under certain conditions, internal attack and stress corrosion cracking (SCC) are possible with the Ni-Cr-Mo alloys, and the Ni-Cu materials can suffer intergranular attack when exposed to wet HF vapors. The purpose of this work was to study further the response of the Ni-Cr-Mo alloys to HF, in particular their external corrosion rates, susceptibility to internal attack and susceptibility to HF-induced SCC, as a function of alloy composition. As a side experiment, one of the alloys was tested in two microstructural conditions, i.e. solution annealed (the usual condition for materials of this type) and long-range ordered (this being a means of strengthening the alloy in question). The study of external corrosion rates over wide ranges of concentration and temperature revealed a strong beneficial influence of molybdenum content. However, tungsten, which is used as a partial replacement …
Date: December 4, 2006
Creator: Crook, P; Meck, N S & Rebak, R B
System: The UNT Digital Library
UCLA/FNPL Underdense Plasma Lens Experiment: Results and Analysis (open access)

UCLA/FNPL Underdense Plasma Lens Experiment: Results and Analysis

Focusing of a 15 MeV, 16 nC electron bunch by a gaussian underdense plasma lens operated just beyond the threshold of the underdense condition has been demonstrated. The strong 1.9 cm focal length plasma lens focused both transverse directions simultaneously and reduced the minimum area of the beam spot by a factor of 23. Analysis of the beam envelope evolution observed near the beam waist shows that the spherical aberrations of this underdense lens are lower than those of an overdense plasma lens, as predicted by theory. Time resolved measurements of the focused electron bunch are also reported and compared to simulations.
Date: August 4, 2006
Creator: Thompson, M C; Badakov, H; Rosenzweig, J B; Travish, G; Fliller, R; Kazakevich, G M et al.
System: The UNT Digital Library
Environmental Cracking of Corrosion Resistant Alloys in the Chemical Process Industry - A Review (open access)

Environmental Cracking of Corrosion Resistant Alloys in the Chemical Process Industry - A Review

A large variety of corrosion resistant alloys are used regularly in the chemical process industry (CPI). The most common family of alloys include the iron (Fe)-based stainless steels, nickel (Ni) alloys and titanium (Ti) alloys. There also other corrosion resistant alloys but their family of alloys is not as large as for the three groups mentioned above. All ranges of corrosive environments can be found in the CPI, from caustic solutions to hot acidic environments, from highly reducing to highly oxidizing. Stainless steels are ubiquitous since numerous types of stainless steels exist, each type tailored for specific applications. In general, stainless steels suffer stress corrosion cracking (SCC) in hot chloride environments while high Ni alloys are practically immune to this type of attack. High nickel alloys are also resistant to caustic cracking. Ti alloys find application in highly oxidizing solutions. Solutions containing fluoride ions, especially acid, seem to be aggressive to almost all corrosion resistant alloys.
Date: December 4, 2006
Creator: Rebak, R B
System: The UNT Digital Library
Ultra-High Gradient Dielectric Wakefield Accelerator Experiments (open access)

Ultra-High Gradient Dielectric Wakefield Accelerator Experiments

Ultra-high gradient dielectric wakefield accelerators are a potential option for a linear collider afterburner since they are immune to the ion collapse and electron/positron asymmetry problems implicit in a plasma based afterburner. The first phase of an experiment to study the performance of dielectric Cerenkov wakefield accelerating structures at extremely high gradients in the GV/m range has been completed. The experiment took advantage of the unique SLAC FFTB electron beam and its ultra-short pulse lengths and high currents (e.g., {sigma}{sub z} = 20 {micro}m at Q = 3 nC). The FFTB electron beam was successfully focused down and sent through short lengths of fused silica capillary tubing (ID = 200 {micro}m/OD = 325 {micro}m). The pulse length of the electron beam was varied to produce a range of electric fields between 2 and 20 GV/m at the inner surface of the dielectric tubes. We observed a sharp increase in optical emissions from the capillaries in the middle part of this surface field range which we believe indicates the transition between sustainable field levels and breakdown. If this initial interpretation is correct, the surfaced fields that were sustained equate to on axis accelerating field of several GV/m. In future experiments being …
Date: August 4, 2006
Creator: Thompson, M. C.; Badakov, H.; Rosenzweig, J. B.; Travish, G.; Hogan, M.; Ischebeck, R. et al.
System: The UNT Digital Library
Comments on the paper 'A novel 3D wavelet-based filter forvisualizing features in noisy biological data', by Moss et al. (open access)

Comments on the paper 'A novel 3D wavelet-based filter forvisualizing features in noisy biological data', by Moss et al.

Moss et al.(2005) describe, in a recent paper, a filter thatthey use to detect lines. We noticed that the wavelet on which thisfilter is based is a difference of uniform filters. This filter is anapproximation to the second derivative operator, which is commonlyimplemented as the Laplace of Gaussian (or Marr-Hildreth) operator (Marr&Hildreth, 1980; Jahne, 2002), Figure 1. We have compared Moss'filter with 1) the Laplace of Gaussian operator, 2) an approximation ofthe Laplace of Gaussian using uniform filters, and 3) a few common noisereduction filters. The Laplace-like operators detect lines by suppressingimage features both larger and smaller than the filter size. The noisereduction filters only suppress image features smaller than the filtersize. By estimating the signal to noise ratio (SNR) and mean squaredifference (MSD) of the filtered results, we found that the filterproposed by Moss et al. does not outperform the Laplace of Gaussianoperator. We also found that for images with extreme noise content, linedetection filters perform better than the noise reduction filters whentrying to enhance line structures. In less extreme cases of noise, thestandard noise reduction filters perform significantly better than boththe Laplace of Gaussian and Moss' filter.
Date: February 4, 2006
Creator: Luengo Hendriks, Cris L. & Knowles, David W.
System: The UNT Digital Library
Molecular cytogenetic characterization of a human thyroid cancercell line (open access)

Molecular cytogenetic characterization of a human thyroid cancercell line

The incidence of papillary thyroid carcinoma (PTC) increases significantly after exposure of the head and neck region to ionizing radiation, yet we know neither the steps involved in malignant transformation of thyroid epithelium nor the specific carcinogenic mode of action of radiation. Such increased tumor frequency became most evident in children after the 1986 nuclear accident in Chernobyl, Ukraine. In the twelve years following the accident, the average incidence of childhood PTCs (chPTC) increased over one hundred-fold compared to the rate of about 1 tumor incidence per 10{sup 6} children per year prior to 1986. To study the etiology of radiation-induced thyroid cancer, we formed an international consortium to investigate chromosomal changes and altered gene expression in cases of post-Chernobyl chPTC. Our approach is based on karyotyping of primary cultures established from chPTC specimens, establishment of cell lines and studies of genotype-phenotype relationships through high resolution chromosome analysis, DNA/cDNA micro-array studies, and mouse xenografts that test for tumorigenicity. Here, we report the application of fluorescence in situ hybridization (FISH)-based techniques for the molecular cytogenetic characterization of a highly tumorigenic chPTC cell line, S48TK, and its subclones. Using chromosome 9 rearrangements as an example, we describe a new approach termed ''BAC-FISH'' …
Date: January 4, 2006
Creator: Weier, Heinz-Ulrich G.; Tuton, Tiffany B.; Ito, Yuko; Chu, LisaW.; Lu, Chung-Mei; Baumgartner, Adolf et al.
System: The UNT Digital Library
Protonation of D-gluconate and its complexation with Np(V) inacidic to nearly neutral solutions (open access)

Protonation of D-gluconate and its complexation with Np(V) inacidic to nearly neutral solutions

None
Date: January 4, 2006
Creator: Zhang, Zhicheng; Clark, Sue B.; Tian, Guoxin; Zanonato,PierLuigi & Rao, Linfeng
System: The UNT Digital Library
Effects of Temporal Wind Patterns on the Value of Wind-GeneratedElectricity at Different Sites in California and the Northwest (open access)

Effects of Temporal Wind Patterns on the Value of Wind-GeneratedElectricity at Different Sites in California and the Northwest

Wind power production varies on a diurnal and seasonal basis. In this paper, we use wind speed data from three different sources to assess the effects of wind timing on the value of electric power from potential wind farm locations in California and the Northwestern United States. By ''value'', we refer to either the contribution of wind power to meeting the electric system's peak loads, or the financial value of wind power in electricity markets. Sites for wind power projects are often screened or compared based on the annual average power production that would be expected from wind turbines at each site (Baban and Parry 2001; Brower et al. 2004; Jangamshetti and Rau 2001; Nielsen et al. 2002; Roy 2002; Schwartz 1999). However, at many locations, variations in wind speeds during the day and year are correlated with variations in the electric power system's load and wholesale market prices (Burton et al. 2001; Carlin 1983; Kennedy and Rogers 2003; Man Bae and Devine 1978; Sezgen et al. 1998); this correlation may raise or lower the value of wind power generated at each location. A number of previous reports address this issue somewhat indirectly by studying the contribution of individual wind …
Date: August 4, 2006
Creator: Fripp, Matthias & Wiser, Ryan
System: The UNT Digital Library
Multipole (E1, M1, E2, M2, E3, M3) transition wavelengths and rates between 3l-15l' excited and ground states in nickel-like ions (open access)

Multipole (E1, M1, E2, M2, E3, M3) transition wavelengths and rates between 3l-15l' excited and ground states in nickel-like ions

A relativistic many-body method is developed to calculate energy and transition rates for multipole transitions in many-electron ions. This method is based on relativistic many-body perturbation theory (RMBPT), agrees with MCDF calculations in lowest-order, includes all second-order correlation corrections and includes corrections from negative energy states. Reduced matrix elements, oscillator strengths, and transition rates are calculated for electric-multipole (dipole (E1), quadrupole (E2), and octupole (E3)) and magnetic-multipole (dipole (M1), quadrupole (M2), and octupole (M3)) transitions between 3l{sup -1}5l{prime} excited and ground states in Ni-like ions with nuclear charges ranging from Z = 30 to 100. The calculations start from a 1s{sup 2}s{sup 2}2p{sup 6}3s{sup 2}3p{sup 6}3d{sup 10} Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate-coupling coefficients, and second-order RMBPT is used to determine the matrix elements. A detailed discussion of the various contributions to the dipole matrix elements and energy levels is given for nickel-like tungsten (Z = 74). The contributions from negative-energy states are included in the second order E1, M1, E2, M2, E3 and M3 matrix elements. The resulting transition energies and transition rates are compared with experimental values and with results from other recent calculations. These atomic data are important in modeling of M-shell radiation …
Date: May 4, 2006
Creator: Safronova, U I; Safronova, A S & Beiersdorfer, P
System: The UNT Digital Library
Brief History of Ffag Accelerators. (open access)

Brief History of Ffag Accelerators.

Colleagues of mine have asked me few times why we have today so much interest in Fixed-Field Alternating-Gradient (FFAG) accelerators when these were invented a long time ago, and have always been ignored since then. I try here to give a reply with a short history of FFAG accelerators, at least as I know it. I take also the opportunity to clarify few definitions.
Date: December 4, 2006
Creator: Ruggiero, A.
System: The UNT Digital Library
Spacetime thermodynamics and subsystem observables in akinetically constrained model of glassy systems (open access)

Spacetime thermodynamics and subsystem observables in akinetically constrained model of glassy systems

In a recent article it was argued that dynamic heterogeneity in d-dimensional glass formers is a manifestation of an order-disorder phenomenon in the d+1 dimensions of spacetime. By considering a dynamical analogue of the free energy, evidence was found for phase coexistence between active and inactive regions of spacetime, and it was suggested that this phenomenon underlies the glass transition. Here we develop these ideas further by investigating in detail the one-dimensional Fredrickson-Andersen (FA) model in which the active and inactive phases originate in the reducibility of the dynamics. We illustrate the phase coexistence by considering the distributions of mesoscopic spacetime observables. We show how the analogy with phase coexistence can be strengthened by breaking microscopic reversibility in the FA model, leading to a non-equilibrium theory in the directed percolation universality class.
Date: October 4, 2006
Creator: Jack, Robert L.; Garrahan, Juan P. & Chandler, David
System: The UNT Digital Library
GeV electron beams from a cm-scale accelerator (open access)

GeV electron beams from a cm-scale accelerator

GeV electron accelerators are essential to synchrotron radiation facilities and free electron lasers, and as modules for high-energy particle physics. Radio frequency based accelerators are limited to relatively low accelerating fields (10-50 MV/m) and hence require tens to hundreds of meters to reach the multi-GeV beam energies needed to drive radiation sources, and many kilometers to generate particle energies of interest to the frontiers of high-energy physics.Laser wakefield accelerators (LWFA) in which particles are accelerated by the field of a plasma wave driven by an intense laser pulse produce electric fields several orders of magnitude stronger (10-100 GV/m) and so offer the potential of very compact devices. However, until now it has not been possible to maintain the required laser intensity, and hence acceleration, over the several centimeters needed to reach GeV energies.For this reason laser-driven accelerators have to date been limited to the 100 MeV scale. Contrary to predictions that PW-class lasers would be needed to reach GeV energies, here we demonstrate production of a high-quality electron beam with 1 GeV energy by channeling a 40 TW peak power laser pulse in a 3.3 cm long gas-filled capillary discharge waveguide. We anticipate that laser-plasma accelerators based on capillary discharge …
Date: May 4, 2006
Creator: Leemans, W. P.; Nagler, B.; Gonsalves, A. J.; Toth, C.; Nakamura, K.; Geddes, C. G. R. et al.
System: The UNT Digital Library
Noise Studies of Externally Dispersed Interferometry for Doppler Velocimetry (open access)

Noise Studies of Externally Dispersed Interferometry for Doppler Velocimetry

Externally Dispersed Interferometry (EDI) is the series combination of a fixed-delay field-widened Michelson interferometer with a dispersive spectrograph. This combination boosts the spectrograph performance for both Doppler velocimetry and high resolution spectroscopy. The interferometer creates a periodic comb that multiplies against the input spectrum to create moire fringes, which are recorded in combination with the regular spectrum. Both regular and high-frequency spectral components can be recovered from the data--the moire component carries additional information that increases the signal to noise for velocimetry and spectroscopy. Here we present simulations and theoretical studies of the photon limited Doppler velocity noise in an EDI. We used a model spectrum of a 1600K temperature star. For several rotational blurring velocities 0, 7.5, 15 and 25 km/s we calculated the dimensionless Doppler quality index (Q) versus wavenumber v. This is the normalized RMS of the derivative of the spectrum and is proportional to the photon-limited Doppler signal to noise ratio.
Date: May 4, 2006
Creator: Erskine, D. J.; Edelstein, J.; Lloyd, J. & Muirhead, P.
System: The UNT Digital Library
Black Hole Entropy and Fourie-Mukai Transform (open access)

Black Hole Entropy and Fourie-Mukai Transform

We propose a microscopic CFT description of magnetically charged black holes in IIA compactifications on elliptic fibrations based on the Fourier-Mukai transform. The physical derivation of this model involves a chain of string duality transformations including the 4D/5D black hole correspondence. We compute the asymptotic behavior of the microstate degeneracy in a certain limit of large charges and show that it agrees with the macroscopic entropy formula. An interesting aspect of this setup is that the attractor points are situated deep in a hybrid phase of the quantum Kaehler moduli space.
Date: December 4, 2006
Creator: Bena, Iosif; /Saclay; Diaconescu, Duiliu-Emanuel; /Rutgers U., Piscataway; Florea, Bogdan & /Stanford U., Phys. Dept. /SLAC
System: The UNT Digital Library