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Dissociative electron attachment to the H2O molecule II: nucleardynamics on coupled electronic surfaces within the local complexpotential model (open access)

Dissociative electron attachment to the H2O molecule II: nucleardynamics on coupled electronic surfaces within the local complexpotential model

We report the results of a first-principles study of dissociative electron attachment (DEA) to H{sub 2}O. The cross sections were obtained from nuclear dynamics calculations carried out in full dimensionality within the local complex potential model by using the multi-configuration time-dependent Hartree method. The calculations employ our previously obtained global, complex-valued, potential energy surfaces for the three ({sup 2}B{sub 1}, {sup 2}A{sub 1}, and {sup 2}B{sub 2}) electronic Feshbach resonances involved in this process. These three metastable states of H{sub 2}O{sup -} undergo several degeneracies, and we incorporate both the Renner-Teller coupling between the {sup 2}B{sub 1} and {sup 2}A{sub 1} states, as well as the conical intersection between the {sup 2}A{sub 1} and {sup 2}B{sub 2} states, into our treatment. The nuclear dynamics are inherently multi-dimensional and involve branching between different final product arrangements as well as extensive excitation of the diatomic fragment. Our results successfully mirror the qualitative features of the major fragment channels observed, but are less successful in reproducing the available results for some of the minor channels. We comment on the applicability of the local complex potential model to such a complicated resonant system.
Date: December 21, 2006
Creator: Haxton, Daniel J.; Rescigno, Thomas N. & McCurdy, C. William
System: The UNT Digital Library
Novel Laser-Based Manufacturing of nano-LiFePO4-Based Materialsfor High Power Li Ion Batteries (open access)

Novel Laser-Based Manufacturing of nano-LiFePO4-Based Materialsfor High Power Li Ion Batteries

None
Date: December 21, 2006
Creator: Horne, Craig R.; Jaiswal, Abhishek; Chang, On; Crane, S.; Doeff,Marca M. & Wang, Emile
System: The UNT Digital Library
Heavy Flavor Measurements at RHIC in the Near Future (open access)

Heavy Flavor Measurements at RHIC in the Near Future

We discuss the recent results on open charm measurements at RHIC. The heavy flavor upgrade program for both PHENIX and STAR experiments are briefly discussed. The completion of the program will yield important information on light flavor thermalization of the partonic matter created in high-energy nuclear collisions at RHIC. A new era of RHIC is ahead of us with the progress of the upgrade program.
Date: December 1, 2006
Creator: Xu, Nu
System: The UNT Digital Library
A Probabilistic Approach to Classifying Supernovae UsingPhotometric Information (open access)

A Probabilistic Approach to Classifying Supernovae UsingPhotometric Information

This paper presents a novel method for determining the probability that a supernova candidate belongs to a known supernova type (such as Ia, Ibc, IIL, etc.), using its photometric information alone. It is validated with Monte Carlo, and both space- and ground-based data. We examine the application of the method to well-sampled as well as poorly sampled supernova light curves and investigate to what extent the best currently available supernova models can be used for typing supernova candidates. Central to the method is the assumption that a supernova candidate belongs to a group of objects that can be modeled; we therefore discuss possible ways of removing anomalous or less well understood events from the sample. This method is particularly advantageous for analyses where the purity of the supernova sample is of the essence, or for those where it is important to know the number of the supernova candidates of a certain type (e.g., in supernova rate studies).
Date: December 14, 2006
Creator: Kuznetsova, Natalia V. & Connolly, Brian M.
System: The UNT Digital Library
Effect of pressure on the crystal structure of ettringite (open access)

Effect of pressure on the crystal structure of ettringite

X-ray diffraction and infrared data have been collected froma sample of ettringite from ambient pressure to 6.4 GPa. The sample wasfound to reversibly transform to an amorphous phase at 3 GPa. Theisothermal bulk modulus of ettringite was found to be 27(7) GPa and theincompressibilities of the lattice parameters were found to be 71(30) GPaalong a and 108(36) GPa along c.
Date: December 8, 2006
Creator: Clark, Simon M.; Colas, Bruno; Kunz, Martin; Speziale, Sergio & Monteiro, Paulo J.M.
System: The UNT Digital Library
Disorder and size effects on Kondo interactions and magnetic correlations in CePt2 nanoscrystals (open access)

Disorder and size effects on Kondo interactions and magnetic correlations in CePt2 nanoscrystals

The evolution of the Kondo effect and magnetic correlations with size reduction in CePt{sub 2} nanoparticles (3.1-26 nm) is studied by analysis of the temperature-dependent specific heat and magnetic susceptibility. The antiferromagnetic correlations diminish with size reduction. The Kondo effect predominates at small particle size with trivalent, small Kondo temperature (T{sub K}) magnetic regions coexisting with strongly mixed valent, large T{sub K} nonmagnetic regions. We discuss the role of structural disorder, background density of states and the electronic quantum size effect on the results.
Date: December 12, 2006
Creator: Chen, Y. Y.; Huang, P. H.; Ou, M. N.; Wang, C. R.; Yao, Y. D.; Lee, T. K. et al.
System: The UNT Digital Library
Quantum entanglement of baby universes (open access)

Quantum entanglement of baby universes

We study quantum entanglements of baby universes which appear in non-perturbative corrections to the OSV formula for the entropy of extremal black holes in type IIA string theory compactified on the local Calabi-Yau manifold defined as a rank 2 vector bundle over an arbitrary genus G Riemann surface. This generalizes the result for G=1 in hep-th/0504221. Non-perturbative terms can be organized into a sum over contributions from baby universes, and the total wave-function is their coherent superposition in the third quantized Hilbert space. We find that half of the universes preserve one set of supercharges while the other half preserve a different set, making the total universe stable but non-BPS. The parent universe generates baby universes by brane/anti-brane pair creation, and baby universes are correlated by conservation of non-normalizable D-brane charges under the process. There are no other source of entanglement of baby universes, and all possible states are superposed with the equal weight.
Date: December 7, 2006
Creator: Essman, Eric P.; Aganagic, Mina; Okuda, Takuya & Ooguri, Hirosi
System: The UNT Digital Library
Hierarchy of multiple many-body interaction scales in high-temperature superconductors (open access)

Hierarchy of multiple many-body interaction scales in high-temperature superconductors

To date, angle-resolved photoemission spectroscopy has been successful in identifying energy scales of the many-body interactions in correlated materials, focused on binding energies of up to a few hundred meV below the Fermi energy. Here, at higher energy scale, we present improved experimental data from four families of high-T{sub c} superconductors over a wide doping range that reveal a hierarchy of many-body interaction scales focused on: the low energy anomaly ('kink') of 0.03-0.09eV, a high energy anomaly of 0.3-0.5eV, and an anomalous enhancement of the width of the LDA-based CuO{sub 2} band extending to energies of {approx} 2 eV. Besides their universal behavior over the families, we find that all of these three dispersion anomalies also show clear doping dependence over the doping range presented.
Date: December 21, 2006
Creator: Hussain, Zahid; Meevasana, W.; Zhou, X. J.; Sahrakorpi, S.; Lee, W. S.; Yang, W. L. et al.
System: The UNT Digital Library
Use of simulated data sets to evaluate the fidelity of Metagenomic processing methods (open access)

Use of simulated data sets to evaluate the fidelity of Metagenomic processing methods

Metagenomics is a rapidly emerging field of research for studying microbial communities. To evaluate methods presently used to process metagenomic sequences, we constructed three simulated data sets of varying complexity by combining sequencing reads randomly selected from 113 isolate genomes. These data sets were designed to model real metagenomes in terms of complexity and phylogenetic composition. We assembled sampled reads using three commonly used genome assemblers (Phrap, Arachne and JAZZ), and predicted genes using two popular gene finding pipelines (fgenesb and CRITICA/GLIMMER). The phylogenetic origins of the assembled contigs were predicted using one sequence similarity--based (blast hit distribution) and two sequence composition--based (PhyloPythia, oligonucleotide frequencies) binning methods. We explored the effects of the simulated community structure and method combinations on the fidelity of each processing step by comparison to the corresponding isolate genomes. The simulated data sets are available online to facilitate standardized benchmarking of tools for metagenomic analysis.
Date: December 1, 2006
Creator: Mavromatis, Konstantinos; Ivanova, Natalia; Barry, Kerri; Shapiro, Harris; Goltsman, Eugene; McHardy, Alice C. et al.
System: The UNT Digital Library
Studying High pT muons in Cosmic-Ray Air Showers (open access)

Studying High pT muons in Cosmic-Ray Air Showers

Most cosmic-ray air shower arrays have focused on detectingelectromagnetic shower particles and low energy muons. A few groups (mostnotably MACRO + EASTOP and SPASE + AMANDA) have studied the high energymuon component of showers. However, these experiments had small solidangles, and did not study muons far from the core. The IceTop + IceCubecombination, with its 1 km$^2$ muon detection area can study muons farfrom the shower core. IceCube can measure their energy loss ($dE/dx$),and hence their energy. With the energy, and the known distribution ofproduction heights, the transverse momentum ($p_T$) spectrum of high$p_T$ muons can be determined. The production of the semuons iscalculable in perturbative QCD, so the measured muon spectra can be usedto probe the composition of incident cosmic-rays.
Date: December 1, 2006
Creator: Klein, Spencer R.
System: The UNT Digital Library
Traveling waves and the renormalization group improvedBalitsky-Kovchegov equation (open access)

Traveling waves and the renormalization group improvedBalitsky-Kovchegov equation

I study the incorporation of renormalization group (RG)improved BFKL kernels in the Balitsky-Kovchegov (BK) equation whichdescribes parton saturation. The RG improvement takes into accountimportant parts of the next-to-leading and higher order logarithmiccorrections to the kernel. The traveling wave front method for analyzingthe BK equation is generalized to deal with RG-resummed kernels,restricting to the interesting case of fixed QCD coupling. The resultsshow that the higher order corrections suppress the rapid increase of thesaturation scale with increasing rapidity. I also perform a "diffusive"differential equation approximation, which illustrates that someimportant qualitative properties of the kernel change when including RGcorrections.
Date: December 1, 2006
Creator: Enberg, Rikard
System: The UNT Digital Library
Nuclear Resonance Fluorescence Excitations Near 2 MeV in 235U and 239Pu (open access)

Nuclear Resonance Fluorescence Excitations Near 2 MeV in 235U and 239Pu

A search for nuclear resonance fluorescence excitations in {sup 235}U and {sup 239}Pu within the energy range of 1.0- to 2.5-MeV was performed using a 4-MeV continuous bremsstrahlung source at the High Voltage Research Laboratory at the Massachusetts Institute of Technology. Measurements utilizing high purity Ge detectors at backward angles identified 9 photopeaks in {sup 235}U and 12 photopeaks in {sup 239}Pu in this energy range. These resonances provide unique signatures that allow the materials to be non-intrusively detected in a variety of environments including fuel cells, waste drums, vehicles and containers. The presence and properties of these states may prove useful in understanding the mechanisms for mixing low-lying collective dipole excitations with other states at low excitations in heavy nuclei.
Date: December 27, 2006
Creator: Bertozzi, W.; Caggiano, J. A.; Hensley, W. K.; Johnson, M. S.; Korbly, S. E.; Ledoux, R. J. et al.
System: The UNT Digital Library
Terminator Detection by Support Vector Machine Utilizing aStochastic Context-Free Grammar (open access)

Terminator Detection by Support Vector Machine Utilizing aStochastic Context-Free Grammar

A 2-stage detector was designed to find rho-independent transcription terminators in the Escherichia coli genome. The detector includes a Stochastic Context Free Grammar (SCFG) component and a Support Vector Machine (SVM) component. To find terminators, the SCFG searches the intergenic regions of nucleotide sequence for local matches to a terminator grammar that was designed and trained utilizing examples of known terminators. The grammar selects sequences that are the best candidates for terminators and assigns them a prefix, stem-loop, suffix structure using the Cocke-Younger-Kasaami (CYK) algorithm, modified to incorporate energy affects of base pairing. The parameters from this inferred structure are passed to the SVM classifier, which distinguishes terminators from non-terminators that score high according to the terminator grammar. The SVM was trained with negative examples drawn from intergenic sequences that include both featureless and RNA gene regions (which were assigned prefix, stem-loop, suffix structure by the SCFG), so that it successfully distinguishes terminators from either of these. The classifier was found to be 96.4% successful during testing.
Date: December 30, 2006
Creator: Francis-Lyon, Patricia; Cristianini, Nello & Holbrook, Stephen
System: The UNT Digital Library
4-D XRD for strain in many grains using triangulation (open access)

4-D XRD for strain in many grains using triangulation

Determination of the strains in a polycrystalline materialusing 4-D XRD reveals sub-grain and grain-to-grain behavior as a functionof stress. Here 4-D XRD involves an experimental procedure usingpolychromatic micro-beam X-radiation (micro-Laue) to characterizepolycrystalline materials in spatial location as well as with increasingstress. The in-situ tensile loading experiment measured strain in a modelaluminum-sapphire metal matrix composite using the Advanced Light Source,Beam-line 7.3.3. Micro-Laue resolves individual grains in thepolycrystalline matrix. Results obtained from a list of grains sorted bycrystallographic orientation depict the strain states within and amongindividual grains. Locating the grain positions in the planeperpendicular to the incident beam is trivial. However, determining theexact location of grains within a 3-D space is challenging. Determiningthe depth of the grains within the matrix (along the beam direction)involved a triangulation method tracing individual rays that producespots on the CCD back to the point of origin. Triangulation wasexperimentally implemented by simulating a 3-D detector capturingmultiple diffraction images while increasing the camera to sampledistance. Hence by observing the intersection of rays from multiple spotsbelonging to the corresponding grain, depth is calculated. Depthresolution is a function of the number of images collected, grain to beamsize ratio, and the pixel resolution of the CCD. The 4DXRD methodprovides grain morphologies, strain …
Date: December 31, 2006
Creator: Bale, Hrishikesh A.; Hanan, Jay C. & Tamura, Nobumichi
System: The UNT Digital Library
Design of an RFQ-Based Neutron Source for Cargo ContainerInterrogation (open access)

Design of an RFQ-Based Neutron Source for Cargo ContainerInterrogation

An RFQ-based neutron generator system is described that produces pulsed neutrons for the active screening of sea-land cargo containers for the detection of shielded special nuclear materials (SNM). A microwave-driven deuteron source is coupled to an electrostatic LEBT that injects a 40 mA D+ beam into a 6 MeV, 5.1 meter-long 200 MHz RFQ. The RFQ has a unique beam dynamics design and is capable of operating at duty factors of 5 to 10% accelerating a D+ time-averaged current of up to 1.5 mA at 5% duty factor, including species and transmission loss. The beam is transported through a specially-designed thin-window into a 2.5-atmosphere deuterium gas target. A high-frequency dipole magnet is used to scan the beam over the long dimension of the 5 by 35 cm target window. The source will deliver a neutron flux of 1x10$sup 7$ n/(cm$sup 2$s) to the center of an empty cargo container. Details of the ion source, LEBT, RFQ beam dynamics and gas target design are presented.
Date: December 1, 2006
Creator: Staples, John W.; Hoff, M. D.; Kwan, J. W.; Li, D.; Ludewigt, B. A.; Ratti, A. et al.
System: The UNT Digital Library
Non equilibrium dynamics of mixing, oscillations, and equilibration: A model study (open access)

Non equilibrium dynamics of mixing, oscillations, and equilibration: A model study

The non-equilibrium dynamics of mixing, oscillations and equilibration is studied in a field theory of flavored neutral mesons that effectively models two flavors of mixed neutrinos, in interaction with other mesons that represent a thermal bath of hadrons or quarks and charged leptons. This model describes the general features of neutrino mixing and relaxation via charged currents in a medium. The reduced density matrix and the non-equilibrium effective action that describes the propagation of neutrinos is obtained by integrating out the bath degrees of freedom. We obtain the dispersion relations, mixing angles and relaxation rates of ``neutrino'' quasiparticles. The dispersion relations and mixing angles are of the same form as those of neutrinos in the medium, and the relaxation rates are given by $\Gamma_1(k) = \Gamma_{ee}(k) \cos^2\theta_m(k)+\Gamma_{\mu\mu}(k)\sin^2\theta_m(k); \Gamma_2(k)= \Gamma_{\mu\mu}(k) \cos^2\theta_m(k)+\Gamma_{ee}(k)\sin^2\theta_m(k) $ where $\Gamma_{\alpha\alpha}(k)$ are the relaxation rates of the flavor fields in \emph{absence} of mixing, and $\theta_m(k)$ is the mixing angle in the medium. A Weisskopf-Wigner approximation that describes the asymptotic time evolution in terms of a non-hermitian Hamiltonian is derived. At long time $>>\Gamma^{-1}_{1,2}$ ``neutrinos'' equilibrate with the bath. The equilibrium density matrix is nearly diagonal in the basis of eigenstates of an \emph{effective Hamiltonian that includes self-energy corrections …
Date: December 22, 2006
Creator: Ho, Chiu Man; Boyanovsky, D. & Ho, C. M.
System: The UNT Digital Library
Evaluation of OGC Standards for Use in LLNL GIS (open access)

Evaluation of OGC Standards for Use in LLNL GIS

None
Date: December 1, 2006
Creator: Walker, H; Chou, R M; Chubb, K K & Schek, J L
System: The UNT Digital Library
Enhancement of Spin-Polarized Electron Emission from Strain-Compensated AlInGaAs-GaAsP Superlattices (open access)

Enhancement of Spin-Polarized Electron Emission from Strain-Compensated AlInGaAs-GaAsP Superlattices

Resonance enhancement of the quantum efficiency of new polarized electron photocathodes based on a short-period strain-compensated AlInGaAs/GaAsP superlattice structure is reported. The superlattice is a part of an integrated Fabry-Perot optical cavity. We demonstrate that the Fabry-Perot resonator enhances the quantum efficiency by up to a factor 10 in the wavelength region of the main polarization maximum. The high structural quality implied by these results points to the very promising application of these photocathodes for spin-polarized electron sources.
Date: December 8, 2006
Creator: Roberts, J. S.; Yashin, Yu. P.; Mamaev, Yu. A.; Gerchikov, L. G.; Maruyama, T.; Luh, D. -A. et al.
System: The UNT Digital Library
Continuous active-source seismic monitoring of CO2 injection in abrine aquifer (open access)

Continuous active-source seismic monitoring of CO2 injection in abrine aquifer

Continuous crosswell seismic monitoring of a small-scale CO2injection was accomplished with the development of a noveltubing-deployed piezoelectric borehole source. This piezotube source wasdeployed on the CO2 injection tubing, near the top of the saline aquiferreservoir at 1657-m depth, and allowed acquisition of crosswellrecordings at 15-minute intervals during the multiday injection. Thechange in traveltime recorded at various depths in a nearby observationwell allowed hour-by-hour monitoring of the growing CO2 plume via theinduced seismic velocity change. Traveltime changes of 0.2 to 1.0 ms ( upto 8 percent ) were observed, with no change seen at control sensorsplaced above the reservoir. The traveltime measurements indicate that theCO2 plume reached the top of the reservoir sand before reaching theobservation well, where regular fluid sampling was occuring during theinjection, thus providing information about the in situ buoyancy ofCO2.
Date: December 10, 2006
Creator: Daley, Thomas M.; Solbau, Ray D.; Ajo-Franklin, Jonathan B. & Benson, Sally M.
System: The UNT Digital Library
Portable, Low-cost NMR with Laser-Lathe Lithography Produced (open access)

Portable, Low-cost NMR with Laser-Lathe Lithography Produced

Nuclear Magnetic Resonance (NMR) is unsurpassed in its ability to non-destructively probe chemical identity. Portable, low-cost NMR sensors would enable on-site identification of potentially hazardous substances, as well as the study of samples in a variety of industrial applications. Recent developments in RF microcoil construction (i.e. coils much smaller than the standard 5 mm NMR RF coils), have dramatically increased NMR sensitivity and decreased the limits-of-detection (LOD). We are using advances in laser pantographic microfabrication techniques, unique to LLNL, to produce RF microcoils for field deployable, high sensitivity NMR-based detectors. This same fabrication technique can be used to produce imaging coils for MRI as well as for standard hardware shimming or 'ex-situ' shimming of field inhomogeneities typically associated with inexpensive magnets. This paper describes a portable NMR system based on a laser-fabricated microcoil and homebuilt probe design. For testing this probe, we used a hand-held 2 kg Halbach magnet that can fit into the palm of a hand, and an RF probe with laser-fabricated microcoils. The focus of the paper is on the evaluation of the microcoils, RF probe, and first generation gradient coils. The setup of this system, initial results, sensitivity measurements, and future plans are discussed. The results, …
Date: December 21, 2006
Creator: Herberg, J. L.; Demas, V.; Malba, V.; Bernhardt, A.; Evans, L.; Harvey, C. et al.
System: The UNT Digital Library
Design and performance of the alignment system for the CMS muon endcaps (open access)

Design and performance of the alignment system for the CMS muon endcaps

The alignment system for the CMS Muon Endcap detector employs several hundred sensors such as optical 1-D CCD sensors illuminated by lasers and analog distance- and tilt-sensors to monitor the positions of one sixth of 468 large Cathode Strip Chambers. The chambers mounted on the endcap yoke disks undergo substantial deformation on the order of centimeters when the 4T field is switched on and off. The Muon Endcap alignment system is required to monitor chamber positions with 75-200 {micro}m accuracy in the R? plane, {approx}400 {micro}m in the radial direction, and {approx}1 mm in the z-direction along the beam axis. The complete alignment hardware for one of the two endcaps has been installed at CERN. A major system test was performed when the 4T solenoid magnet was ramped up to full field for the first time in August 2006. We present the overall system design and first results on disk deformations, which indicate that the measurements agree with expectations.
Date: December 1, 2006
Creator: Hohlmann, Marcus; Baksay, Gyongyi; Browngold, Max; Dehmelt, Klaus; Guragain, Samir; Andreev, Valery et al.
System: The UNT Digital Library
A grating-less, fiber-based oscillator that generates 25 nJ pulses (open access)

A grating-less, fiber-based oscillator that generates 25 nJ pulses

We report a passively mode-locked fiber-based oscillator that has no internal dispersion-compensating gratings. This design, the first of its kind, produces 25 nJ pulses at 80 MHz with the pulses compressible to 150 fs. The pulses appear to be self-similar and initial data imply that their energy is further scalable.
Date: December 28, 2006
Creator: An, J; Kim, D; Dawson, J W; Messerly, M J & Barty, C J
System: The UNT Digital Library
Heavy Flavor Measurements at RHIC in the Near Future (open access)

Heavy Flavor Measurements at RHIC in the Near Future

None
Date: December 1, 2006
Creator: Xu, Nu
System: The UNT Digital Library
Limits of NbTi and Nb3Sn, and Development of W&R Bi-2212 HighField Accelerator Magnets (open access)

Limits of NbTi and Nb3Sn, and Development of W&R Bi-2212 HighField Accelerator Magnets

NbTi accelerator dipoles are limited to magnetic fields (H)of about 10 T, due to an intrinsic upper critical field(Hc2) limitationof 14 T. To surpass this restriction, prototype Nb3Sn magnets are beingdeveloped which have reached 16 T. We show that Nb3Sn dipole technologyis practically limited to 17 to 18 T due to insufficient high fieldpinning, and intrinsically to 20 to 22 T due to Hc2 limitations.Therefore, to obtain magnetic fields approaching 20 T and higher, amaterial is required with a higher Hc2 and sufficient high field pinningcapacity. A realistic candidate for this purpose is Bi-2212, which isavailable in roundwires and sufficient lengths for the fabrication ofcoils based on Rutherford-type cables. We initiated a program to developthe required technology to construct accelerator magnets from'windand-react' (W&R) Bi-2212 coils. We outline the complicationsthat arise through the use of Bi-2212, describe the development paths toaddress these issues, and conclude with the design of W&R Bi-2212sub-scale magnets.
Date: December 1, 2006
Creator: Godeke, A.; Cheng, D.; Dietderich, D. R.; Ferracin, P.; Prestemon, S. O.; Sabbi, G. et al.
System: The UNT Digital Library