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Non-Markovian Nonstationary Completely Positive Open-Quantum-System Dynamics (open access)

Non-Markovian Nonstationary Completely Positive Open-Quantum-System Dynamics

This article discusses non-Markovian nonstationary completely positive open-quantum-system dynamics.
Date: August 4, 2009
Creator: Budini, Adrián A. & Grigolini, Paolo
System: The UNT Digital Library
Z' Coupling Information From LHeC (open access)

Z' Coupling Information From LHeC

None
Date: April 4, 2008
Creator: Rizzo, Thomas G.
System: The UNT Digital Library
R. Bruce Merrifield and Solid-Phase Peptide Synthesis: A Historical Assessment (open access)

R. Bruce Merrifield and Solid-Phase Peptide Synthesis: A Historical Assessment

Bruce Merrifield, trained as a biochemist, had to address three major challenges related to the development and acceptance of solid-phase peptide synthesis (SPPS). The challenges were (1) to reduce the concept of peptide synthesis on a insoluble support to practice, (2) overcome the resistance of synthetic chemists to this novel approach, and (3) establish that a biochemist had the scientific credentials to effect the proposed revolutionary change in chemical synthesis. How these challenges were met is discussed in this article.
Date: December 4, 2007
Creator: Mitchell, A R
System: The UNT Digital Library
Resonant Soft X-Ray Contrast Variation Methods as Composition-Specific Probes of Thin Polymer Film Structure (open access)

Resonant Soft X-Ray Contrast Variation Methods as Composition-Specific Probes of Thin Polymer Film Structure

We have developed complementary soft x-ray scattering and reflectometry techniques that allow for the morphological analysis of thin polymer films without resorting to chemical modification or isotopic 2 labeling. With these techniques, we achieve significant, x-ray energy-dependent contrast between carbon atoms in different chemical environments using soft x-ray resonance at the carbon edge. Because carbon-containing samples absorb strongly in this region, the scattering length density depends on both the real and imaginary parts of the atomic scattering factors. Using a model polymer film of poly(styrene-b-methyl methacrylate), we show that the soft x-ray reflectivity data is much more sensitive to these atomic scattering factors than the soft x-ray scattering data. Nevertheless, fits to both types of data yield useful morphological details on the polymer?slamellar structure that are consistent with each other and with literature values.
Date: April 4, 2008
Creator: Welch, Cynthia; Welch, Cynthia F.; Hjelm, Rex P.; Mang, Joseph T.; Hawley, Marilyn E.; Wrobleski, Debra A. et al.
System: The UNT Digital Library
Breaking the Curse of Cardinality on Bitmap Indexes (open access)

Breaking the Curse of Cardinality on Bitmap Indexes

Bitmap indexes are known to be efficient for ad-hoc range queries that are common in data warehousing and scientific applications. However, they suffer from the curse of cardinality, that is, their efficiency deteriorates as attribute cardinalities increase. A number of strategies have been proposed, but none of them addresses the problem adequately. In this paper, we propose a novel binned bitmap index that greatly reduces the cost to answer queries, and therefore breaks the curse of cardinality. The key idea is to augment the binned index with an Order-preserving Bin-based Clustering (OrBiC) structure. This data structure significantly reduces the I/O operations needed to resolve records that cannot be resolved with the bitmaps. To further improve the proposed index structure, we also present a strategy to create single-valued bins for frequent values. This strategy reduces index sizes and improves query processing speed. Overall, the binned indexes with OrBiC great improves the query processing speed, and are 3 - 25 times faster than the best available indexes for high-cardinality data.
Date: April 4, 2008
Creator: Wu, Kesheng; Wu, Kesheng; Stockinger, Kurt & Shoshani, Arie
System: The UNT Digital Library
Radioactive Elements in the Standard Atomic Weights Table. (open access)

Radioactive Elements in the Standard Atomic Weights Table.

In the 1949 Report of the Atomic Weights Commission, a series of new elements were added to the Atomic Weights Table. Since these elements had been produced in the laboratory and were not discovered in nature, the atomic weight value of these artificial products would depend upon the production method. Since atomic weight is a property of an element as it occurs in nature, it would be incorrect to assign an atomic weight value to that element. As a result of that discussion, the Commission decided to provide only the mass number of the most stable (or longest-lived) known isotope as the number to be associated with these entries in the Atomic Weights Table. As a function of time, the mass number associated with various elements has changed as longer-lived isotopes of a particular element has been found in nature, or as improved half-life values of an element's isotopes might cause a shift in the longest-lived isotope from one mass to another. In the 1957 Report of the Atomic Weights Commission, it was decided to discontinue the listing of the mass number in the Atomic Weights Table on the grounds that the kind of information supplied by the mass number …
Date: August 4, 2007
Creator: Holden, N. E.
System: The UNT Digital Library
Measurement of D^0-\bar{D^0} Mixing From a Time-Dependent Amplitude Analysis of D^0\ -> K^+\pi^-\pi0 Decays (open access)

Measurement of D^0-\bar{D^0} Mixing From a Time-Dependent Amplitude Analysis of D^0\ -> K^+\pi^-\pi0 Decays

The authors present evidence of D{sup 0}-{bar D}{sup 0} mixing using a time-dependent amplitude analysis of the decay D{sup 0} {yields} K{sup +}{pi}{sup -}{pi}{sup 0} in a data sample of 384 fb{sup -1} collected with the BABAR detector at the PEP-II e{sup +}e{sup -} collider at SLAC. Assuming CP conservation, they measure the mixing parameters x{prime}{sub K{pi}{pi}{sup 0}} = [2.61{sub -0.68}{sup +0.57}(stat.) {+-} 0.39(syst.)]%, y{prime}{sub K{pi}{pi}{sup 0}} = [-0.06{sub -0.64}{sup +0.55}(stat.) {+-} 0.34(syst.)]%. The confidence level for the data to be consistent with the no-mixing hypothesis is 0.1%, including systematic uncertainties. This result is inconsistent with the no-mixing hypothesis with a significance of 3.2 standard deviations. They find no evidence of CP violation in mixing.
Date: August 4, 2008
Creator: Aubert, Bernard; Bona, M.; Karyotakis, Y.; Lees, J. P.; Poireau, V.; Prencipe, E. et al.
System: The UNT Digital Library
INVESTIGATION OF THE PRESENCE OF DRUGSTORE BEETLES WITHIN CELOTEX ASSEMBLIES IN RADIOACTIVE MATERIAL PACKAGINGS (open access)

INVESTIGATION OF THE PRESENCE OF DRUGSTORE BEETLES WITHIN CELOTEX ASSEMBLIES IN RADIOACTIVE MATERIAL PACKAGINGS

During normal operations at the Department of Energy's Hanford Site in Hanford, WA, drugstore beetles, (Stegobium paniceum (L.) Coleoptera: Anobiidae), were found within the fiberboard subassemblies of two 9975 Shipping Packages. Initial indications were that the beetles were feeding on the Celotex{trademark} assemblies within the package. Celotex{trademark} fiberboard is used in numerous radioactive material packages serving as both a thermal insulator and an impact absorber for both normal conditions of transport and hypothetical accident conditions. The Department of Energy's Packaging Certification Program (EM-63) directed a thorough investigation to determine if the drugstore beetles were causing damage that would be detrimental to the safety performance of the Celotex{trademark}. The Savannah River National Laboratory is conducting the investigation with entomological expertise provided by Clemson University. The two empty 9975 shipping packages were transferred to the Savannah River National Laboratory in the fall of 2007. This paper will provide details and results of the ongoing investigation.
Date: June 4, 2008
Creator: Loftin, B & Glenn Abramczyk, G
System: The UNT Digital Library
Ferromagnetism in GaN: Gd: A density functional theory study (open access)

Ferromagnetism in GaN: Gd: A density functional theory study

First principle calculations of the electronic structure and magnetic interaction of GaN:Gd have been performed within the Generalized Gradient Approximation (GGA) of the density functional theory (DFT) with the on-site Coulomb energy U taken into account (also referred to as GGA+U). The ferromagnetic p-d coupling is found to be over two orders of magnitude larger than the s-d exchange coupling. The experimental colossal magnetic moments and room temperature ferromagnetism in GaN:Gd reported recently are explained by the interaction of Gd 4f spins via p-d coupling involving holes introduced by intrinsic defects such as Ga vacancies.
Date: February 4, 2008
Creator: Stevenson, Cynthia & Stevenson, Cynthia
System: The UNT Digital Library
Measurement of the B to Xs gammaBranching Fraction and Photon Energy Spectrum usingthe Recoil Method (open access)

Measurement of the B to Xs gammaBranching Fraction and Photon Energy Spectrum usingthe Recoil Method

We present a measurement of the branching fraction and photon energy spectrum for the decay B {yields} X{sub s}{gamma} using data from the BABAR experiment. The data sample corresponds to an integrated luminosity of 210 fb{sup -1}, from which approximately 680,000 B{bar B} events are tagged by a fully reconstructed hadronic decay of one of the B mesons. In the decay of the second B meson, an isolated high-energy photon is identified. We measure {Beta}(B {yields} X{sub s}{gamma}) = (3.66 {+-} 0.85{sub stat} {+-} 0.60{sub syst}) x 10{sup -4} for photon energies E{sub {gamma}} above 1.9 GeV in the B rest frame. From the measured spectrum we calculate the first and second moments for different minimum photon energies, which are used to extract the heavy-quark parameters m{sub b} and {mu}{sub {pi}}{sup 2}. In addition, measurements of the direct CP asymmetry and isospin asymmetry are presented.
Date: December 4, 2007
Creator: Aubert, B.
System: The UNT Digital Library
Recovering the Elemental Composition of Comet Wild 2 Dust in Five Stardust Impact Tracks and Terminal Particles in Aerogel (open access)

Recovering the Elemental Composition of Comet Wild 2 Dust in Five Stardust Impact Tracks and Terminal Particles in Aerogel

The elemental (non-volatile) composition of five Stardust impact tracks and terminal particles left from capture of Comet 81P/Wild 2 dust were mapped in a synchrotron x-ray scanning microprobe with full fluorescence spectra at each pixel. Because aerogel includes background levels of several elements of interest, we employ a novel 'dual threshold' approach to discriminate against background contaminants: an upper threshold, above which a spectrum contains cometary material plus aerogel and a lower threshold below which it contains only aerogel. The difference between normalized cometary-plus-background and background-only spectra is attributable to cometary material. The few spectra in between are discarded since misallocation is detrimental: cometary material incorrectly placed in the background spectrum is later subtracted from the cometary spectrum, doubling the loss of reportable cometary material. This approach improves precision of composition quantification. We present the refined whole impact track and terminal particle elemental abundances for the five impact tracks. One track shows mass increases in Cr and Mn (1.4x), Cu, As and K (2x), Zn (4x) and total mass (13%) by dual thresholds compared to a single threshold. Major elements Fe and Ni are not significantly affected. The additional Cr arises from cometary material containing little Fe. We exclude Au …
Date: January 4, 2007
Creator: Ishii, H. A.; Brennan, S.; Bradley, J. P.; Luening, K.; Ignatyev, K. & Pianetta, P.
System: The UNT Digital Library
Electrons in a positive-ion beam with solenoid or quadrupole magnetic transport (open access)

Electrons in a positive-ion beam with solenoid or quadrupole magnetic transport

The High Current Experiment (HCX) is used to study beam transport and accumulation of electrons in quadrupole magnets and the Neutralized Drift-Compression Experiment (NDCX) to study beam transport through and accumulation of electrons in magnetic solenoids. We find that both clearing and suppressor electrodes perform as intended, enabling electron cloud densities to be minimized. Then, the measured beam envelopes in both quadrupoles and solenoids agree with simulations, indicating that theoretical beam current transport limits are reliable, in the absence of electrons. At the other extreme, reversing electrode biases with the solenoid transport effectively traps electrons; or, in quadrupole magnets, grounding the suppressor electrode allows electron emission from the end wall to flood the beam, in both cases producing significant degradation in the beam.
Date: June 4, 2007
Creator: Molvik, A. W.; Kireeff Covo, M.; Cohen, R.; Coleman, J.; Sharp, W.; Bieniosek, F. et al.
System: The UNT Digital Library
Generalization of the ERIT principle and method. (open access)

Generalization of the ERIT principle and method.

The paper describes the generalization of the method to produce secondary particles with a low-energy and low-intensity primary beam circulating in a Storage Ring with the Emittance-Recovery by Internal-Target (ERIT).
Date: November 4, 2007
Creator: Ruggiero, A. G.
System: The UNT Digital Library
Electron-Cloud Build-up in the FNAL Main Injector (open access)

Electron-Cloud Build-up in the FNAL Main Injector

We present a summary on ongoing simulation results for the electron-cloud buildup in the context of the proposed FNAL Main Injector (MI) intensity upgrade [1] in a fieldfree region at the location of the RFA electron detector [2]. By combining our simulated results for the electron flux at the vacuum chamber wall with the corresponding measurements obtained with the RFA we infer that the peak secondary electron yield (SEY) {delta}{sub max} is {approx}> 1.4, and the average electron density is n{sub e} {approx}> 10{sup 10} m{sup -3} at transition energy for the specific fill pattern and beam intensities defined below. The sensitivity of our results to several variables remains to be explored in order to reach more definitive results. Effects from the electron cloud on the beam are being investigated separately [3].
Date: June 4, 2007
Creator: Furman, M. A.
System: The UNT Digital Library
Development of an Immersed Boundary Method to Resolve Complex Terrain in the Weather Research and Forecasting Model (open access)

Development of an Immersed Boundary Method to Resolve Complex Terrain in the Weather Research and Forecasting Model

Flow and dispersion processes in urban areas are profoundly influenced by the presence of buildings which divert mean flow, affect surface heating and cooling, and alter the structure of turbulence in the lower atmosphere. Accurate prediction of velocity, temperature, and turbulent kinetic energy fields are necessary for determining the transport and dispersion of scalars. Correct predictions of scalar concentrations are vital in densely populated urban areas where they are used to aid in emergency response planning for accidental or intentional releases of hazardous substances. Traditionally, urban flow simulations have been performed by computational fluid dynamics (CFD) codes which can accommodate the geometric complexity inherent to urban landscapes. In these types of models the grid is aligned with the solid boundaries, and the boundary conditions are applied to the computational nodes coincident with the surface. If the CFD code uses a structured curvilinear mesh, then time-consuming manual manipulation is needed to ensure that the mesh conforms to the solid boundaries while minimizing skewness. If the CFD code uses an unstructured grid, then the solver cannot be optimized for the underlying data structure which takes an irregular form. Unstructured solvers are therefore often slower and more memory intensive than their structured counterparts. …
Date: September 4, 2007
Creator: Lunquist, K A; Chow, F K; Lundquist, J K & Mirocha, J D
System: The UNT Digital Library
Measurements of {\cal B}(\overline{B}^0 \to \Lambda_{c}^{+} \overline{p}) and {\cal B}(B^- \to \Lambda_{c}^{+} \overline{p} \pi^-) and Studies of \Lambda_{c}^{+}\pi^- Resonances (open access)

Measurements of {\cal B}(\overline{B}^0 \to \Lambda_{c}^{+} \overline{p}) and {\cal B}(B^- \to \Lambda_{c}^{+} \overline{p} \pi^-) and Studies of \Lambda_{c}^{+}\pi^- Resonances

The authors present an investigation of the decays {bar B}{sup 0} {yields} {Lambda}{sub c}{sup +}{bar p} and B{sup -} {yields} {Lambda}{sub c}{sup +}{bar p}{pi}{sup -} based on 383 x 10{sup 6} {Upsilon}(4S) {yields} B{bar B} decays recorded with the BABAR detector. They measure the branching fractions of these decays; their ratio is {Beta}(B{sup -} {yields} {Lambda}{sub c}{sup +}{bar p}{pi}{sup -})/{Beta}({bar B}{sup 0} {yields} {Lambda}{sub c}{sup +}{bar p}) = 15.4 {+-} 1.8 {+-} 0.3. The B{sup -} {yields} {Lambda}{sub c}{sup +}{bar p}{pi}{sup -} process exhibits an enhancement at the {Lambda}{sub c}{sup +}{bar p} threshold and is a laboratory for searches for excited charm baryon states. They observe the resonant decays B{sup -} {yields} {Sigma}{sub c}(2455){sup 0}{bar p} and B{sup -} {Sigma}{sub c}(2800){sup 0}{bar p} but see no evidence for B{sup -} {yields} {Sigma}{sub c}(2520){sup 0}{bar p}. This is the first observation of the decay B{sup -} {yields} {Sigma}{sub c}(2800){sup 0}{bar p}; however, the mass of the observed excited {Sigma}{sub c}{sup 0} state is (2846 {+-} 8 {+-} 10) MeV/c{sup 2}, which is somewhat inconsistent with previous measurements. Finally, they examine the angular distribution of the B{sup -} {yields} {Sigma}{sub c}(2455){sup 0}{bar p} decays and measure the spin of the {Sigma}{sub c}(2455){sup …
Date: August 4, 2008
Creator: Collaboration, The BABAR & Aubert, B.
System: The UNT Digital Library
Isochoric Implosions for Fast Ignition (open access)

Isochoric Implosions for Fast Ignition

Various gain models have shown the potentially great advantages of Fast Ignition (FI) Inertial Confinement Fusion (ICF) over its conventional hot spot ignition counterpart [e.g., S. Atzeni, Phys. Plasmas 6, 3316 (1999); M. Tabak et al., Fusion Sci. & Technology 49, 254 (2006)]. These gain models, however, all assume nearly uniform-density fuel assemblies. In contrast, conventional ICF implosions yield hollowed fuel assemblies with a high-density shell of fuel surrounding a low-density, high-pressure hot spot. Hence, to realize fully the advantages of FI, an alternative implosion design must be found which yields nearly isochoric fuel assemblies without substantial hot spots. Here, it is shown that a self-similar spherical implosion of the type originally studied by Guderley [Luftfahrtforschung 19, 302 (1942)] may be employed to yield precisely such quasi-isochoric imploded states. The difficulty remains, however, of accessing these self-similarly imploding configurations from initial conditions representing an actual ICF target, namely a uniform, solid-density shell at rest. Furthermore, these specialized implosions must be realized for practicable drive parameters and at the scales and energies of interest in ICF. A direct-drive implosion scheme is presented which meets all of these requirements and reaches a nearly isochoric assembled density of 300 g=cm{sup 3} and areal …
Date: April 4, 2007
Creator: Clark, D S & Tabak, M
System: The UNT Digital Library
Laser heating of solid matter by light pressure-driven shocks (open access)

Laser heating of solid matter by light pressure-driven shocks

Heating by irradiation of a solid surface in vacuum with 5 x 10{sup 20} W cm{sup -2}, 0.8 ps, 1.05 {micro}m wavelength laser light is studied by x-ray spectroscopy of the K-shell emission from thin layers of Ni, Mo and V. A surface layer is heated to {approx} 5 keV with an axial temperature gradient of 0.6 {micro}m scale length. Images of Ni Ly{sub {alpha}} show the hot region has a {approx} 25 {micro}m diameter, much smaller than {approx} 70 {micro}m region of K{sub {alpha}} emission. 2D particle-in-cell (PIC) simulations suggest that the surface heating is due to a light pressure driven shock.
Date: May 4, 2007
Creator: Akli, K.; Hansen, S. B.; Kemp, A. J.; Freeman, R. R.; Beg, F. N.; Clark, D. et al.
System: The UNT Digital Library
FINAL FRONTIER AT HANFORD TACKLING THE CENTRAL PLATEAU (open access)

FINAL FRONTIER AT HANFORD TACKLING THE CENTRAL PLATEAU

The large land area in the center of the vast Department of Energy (DOE) Hanford Site in southeast Washington State is known as 'the plateau'--aptly named because its surface elevations are 250-300 feet above the groundwater table. By contrast, areas on the 585-square mile Site that border the Columbia River sit just 30-80 feet above the water table. The Central Plateau, which covers an ellipse of approximately 70 square miles, contains Hanford's radiochemical reprocessing areas--the 200 East and 200 West Areas--and includes the most highly radioactive waste and contaminated facilities on the Site. Five 'canyons' where chemical processes were used to separate out plutonium (Pu), 884 identified soil waste sites (including approximately 50 miles of solid waste burial trenches), more than 900 structures, and all of Hanford's liquid waste storage tanks reside in the Central Plateau. (Notes: Canyons is a nickname given by Hanford workers to the chemical reprocessing facilities. The 177, underground waste tanks at Hanford comprise a separate work scope and are not under Fluor's management). Fluor Hanford, a DOE prime cleanup contractor at the Site for the past 12 years, has moved aggressively to investigate Central Plateau waste sites in the last few years, digging more than …
Date: March 4, 2008
Creator: MS, GERBER
System: The UNT Digital Library
Time-Dependent and Time-Integrated Angular Analysis of B -> phi Ks pi0 and B -> phi K+ pi- (open access)

Time-Dependent and Time-Integrated Angular Analysis of B -> phi Ks pi0 and B -> phi K+ pi-

We perform a time-dependent and time-integrated angular analysis of the B{sup 0} {yields} {psi}K*(892){sup 0}, {psi}K*{sub 2}(1430{sup 0}), and {psi}(K{pi}){sub S-wave}{sup 0} decays with the final sample of about 465 million B{bar B} pairs recorded with the BABAR detector. Overall, twelve parameters are measured for the vector-vector decay, nine parameters for the vector-tensor decay, and three parameters for the vector-scalar decay, including the branching fractions, CP-violation parameters, and parameters sensitive to final state interaction. We use the dependence on the K{pi} invariant mass of the interference between the scalar and vector or tensor components to resolve discrete ambiguities of the strong and weak phases. We use the time-evolution of the B {yields} {psi}K{sub S}{sup 0}{pi}{sup 0} channel to extract the CP-violation phase difference {Delta}{phi}{sub 00} = 0.28 {+-} 0.42 {+-} 0.04 between the B and {bar B} decay amplitudes. When the B {yields} {psi}K{sup {+-}}{pi}{sup {-+}} channel is included, the fractions of longitudinal polarization f{sub L} of the vector-vector and vector-tensor decay modes are measured to be 0.494 {+-} 0.034 {+-} 0.013 and 0.901{sub -0.058}{sup +0.046} {+-} 0.037, respectively. This polarization pattern requires the presence of a helicity-plus amplitude in the vector-vector decay from a presently unknown source.
Date: August 4, 2008
Creator: Aubert, B.; Bona, M.; Karyotakis, Y; Lees, J.P. & Poireau, V.
System: The UNT Digital Library
Measuring Regional Changes in the Diastolic Deformation of the Left Ventricle of SHR Rats Using microPET Technology and Hyperelastic Warping (open access)

Measuring Regional Changes in the Diastolic Deformation of the Left Ventricle of SHR Rats Using microPET Technology and Hyperelastic Warping

The objective of this research was to assess applicability of a technique known as hyperelastic warping for the measurement of local strains in the left ventricle (LV) directly from microPET image data sets. The technique uses differences in image intensities between template (reference) and target (loaded) image data sets to generate a body force that deforms a finite element (FE) representation of the template so that it registers with the target images. For validation, the template image was defined as the end-systolic microPET image data set from a Wistar Kyoto (WKY) rat. The target image was created by mapping the template image using the deformation results obtained from a FE model of diastolic filling. Regression analysis revealed highly significant correlations between the simulated forward FE solution and image derived warping predictions for fiber stretch (R2 = 0.96), circumferential strain (R2 = 0.96), radial strain (R2 = 0.93), and longitudinal strain (R2 = 0.76) (p<0.001for all cases). The technology was applied to microPET image data of two spontaneously hypertensive rats (SHR) and a WKY control. Regional analysis revealed that, the lateral freewall in the SHR subjects showed the greatest deformation compared with the other wall segments. This work indicates that warping …
Date: April 4, 2008
Creator: Gullberg, Grant T; Veress , Alexander I.; Weiss, Jeffrey A.; Huesman, Ronald H.; Reutter, Bryan W.; Taylor , Scott E. et al.
System: The UNT Digital Library
Direct Observation of the Kinetically Relevant Site of CO Hydrogenation on Supported Ru Catalyst at 700 K by Time-Resolved FT-IR Spectroscopy (open access)

Direct Observation of the Kinetically Relevant Site of CO Hydrogenation on Supported Ru Catalyst at 700 K by Time-Resolved FT-IR Spectroscopy

Time-resolved FT-IR spectra of carbon monoxide hydrogenation over alumina-supported ruthenium particles were recorded on themillisecond time scale at 700 K using pulsed release of CO and a continuous flow of H2/N2 (ratio 0.067 or 0.15, 1 atm total pressure). Adsorbed carbon monoxide was detected along with gas phase products methane (3016 and 1306 cm-1), water (1900 +- 1300 cm-1), and carbon dioxide (2348 cm-1). Aside from adsorbed CO, no other surface species were observed. The rate of formation of methane is 2.5 +- 0.4 s-1 and coincides with the rate of carbon dioxide growth (3.4 +- 0.6 s-1), thus indicating that CH4 and CO2 originate from a common intermediate. The broad band of adsorbed carbon monoxide has a maximum at 2010 cm-1 at early times (36 ms) that shifts gradually to 1960 cm-1 over a period of 3 s as a result of the decreasing surface concentration of CO. Kinetic analysis of the adsorbed carbon monoxide reveals that surface sites absorbing at the high frequency end of the infrared band are temporally linked to gas phase product growth. Specifically, a (linear) CO site at 2026 cm-1 decays with a rate constant of 2.9 +- 0.1 s-1, which coincides with the …
Date: June 4, 2008
Creator: Frei, Heinz; Wasylenko, Walter & Frei, Heinz
System: The UNT Digital Library
Pyrrole Hydrogenation over Rh(111) and Pt(111) Single-Crystal Surfaces and Hydrogenation Promotion Mediated by 1-Methylpyrrole: A Kinetic and Sum-Frequency Generation Vibrational Spectroscopy Study (open access)

Pyrrole Hydrogenation over Rh(111) and Pt(111) Single-Crystal Surfaces and Hydrogenation Promotion Mediated by 1-Methylpyrrole: A Kinetic and Sum-Frequency Generation Vibrational Spectroscopy Study

Sum-frequency generation (SFG) surface vibrational spectroscopy and kinetic measurements using gas chromatography have been used to study the adsorption and hydrogenation of pyrrole over both Pt(111) and Rh(111) single-crystal surfaces at Torr pressures (3 Torr pyrrole, 30 Torr H{sub 2}) to form pyrrolidine and the minor product butylamine. Over Pt(111) at 298 K it was found that pyrrole adsorbs in an upright geometry cleaving the N-H bond to bind through the nitrogen evidenced by SFG data. Over Rh(111) at 298 K pyrrole adsorbs in a tilted geometry relative to the surface through the p-aromatic system. A pyrroline surface reaction intermediate, which was not detected in the gas phase, was seen by SFG during the hydrogenation over both surfaces. Significant enhancement of the reaction rate was achieved over both metal surfaces by adsorbing 1-methylpyrrole before reaction. SFG vibrational spectroscopic results indicate that reaction promotion is achieved by weakening the bonding between the N-containing products and the metal surface because of lateral interactions on the surface between 1-methylpyrrole and the reaction species, reducing the desorption energy of the products. It was found that the ring-opening product butylamine was a reaction poison over both surfaces, but this effect can be minimized by treating …
Date: March 4, 2008
Creator: Kliewer, Christopher J.; Bieri, Marco & Somorjai, Gabor A.
System: The UNT Digital Library
Integrated Optical Probes (open access)

Integrated Optical Probes

Optical probes used in velocimetry measurements have typically been individual probes that collect data for a single diagnostic at a single point. These probes have been used in diagnostics such as VISAR, PDV, and radiometry, which measure surface velocity, temperature, and other characteristics. When separate probes are used for these measurements, the different diagnostic points measured must be significantly separated. We have developed integrated probes that collect data for multiple optical diagnostics; these probes measure points in close proximity.
Date: September 4, 2008
Creator: Brent Frogget, Douglas DeVore, Vincent Romero, David Esquibel, and David Holtkamp
System: The UNT Digital Library