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Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2] (open access)

Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3 (CO)10 (dppbz), 1,1-Os3 (CO)10 (dppbzF4), HOs3 (CO)9 [μ -1,2-PhP (C6H4-ɳ1) C6H4PPh2], and HOs3 (CO)9- [μ-1,2-PhP (C6H4-ɳ 1) C6F4PPh2]

Article on experimental and computational studies of the isomerization reactions of bidentate phosphine ligands in triosmium clusters.
Date: February 22, 2011
Creator: Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A. et al.
System: The UNT Digital Library
Prediction of Partition Coefficients of Organic Compounds in Ionic Liquids Using a Temperature-Dependent Linear Solvation Energy Relationship with Parameters Calculated through a Group Contribution Method (open access)

Prediction of Partition Coefficients of Organic Compounds in Ionic Liquids Using a Temperature-Dependent Linear Solvation Energy Relationship with Parameters Calculated through a Group Contribution Method

This article discusses the prediction of partition coefficients of organic compounds in ionic liquids.
Date: August 22, 2011
Creator: Mutelet, Fabrice; Ortega-Villa, Virginia; Moïse, Jean-Charles; Jaubert, Jean-Noël & Acree, William E. (William Eugene)
System: The UNT Digital Library
Protection of neurons in the retinal ganglion cell layer against excitotoxicity by the N-acylethanolamine, N-linoleoylethanolamine (open access)

Protection of neurons in the retinal ganglion cell layer against excitotoxicity by the N-acylethanolamine, N-linoleoylethanolamine

Article on the protection of neurons in the retinal ganglion cell layer against excitotoxicity by the N-acylethanolamine, N-linoleoylethanolamine.
Date: April 22, 2011
Creator: Duncan, Scott R.; Xin, Hua; Goad, Daryl L.; Chapman, Kent D. & Koulen, Peter
System: The UNT Digital Library
Time Lens Based Single-Shot Ultrafast Waveform Recording: From High Repetition Rate to High Dynamic Range (open access)

Time Lens Based Single-Shot Ultrafast Waveform Recording: From High Repetition Rate to High Dynamic Range

None
Date: July 22, 2011
Creator: Bennett, C. V.; Hernandez, V. J.; Moran, B. D.; Lowry, M. E.; Vernon, S. P.; Steele, P. T. et al.
System: The UNT Digital Library
A HIGH REPETITION PLASMA MIRROR FOR STAGED ELECTRON ACCELERATION (open access)

A HIGH REPETITION PLASMA MIRROR FOR STAGED ELECTRON ACCELERATION

In order to build a compact, staged laser plasma accelerator the in-coupling of the laser beam to the different stages represents one of the key issues. To limit the spatial foot print and thus to realize a high overall acceleration gradient, a concept has to be found which realizes this in-coupling within a few centimeters. We present experiments on a tape-drive based plasma mirror which could be used to reflect the focused laser beam into the acceleration stage.
Date: July 22, 2011
Creator: Sokollik, Thomas; Shiraishi, Satomi; Osterhoff, Jens; Evans, Eugene; Gonsalves, Anthony; Nakamura, Kei et al.
System: The UNT Digital Library
Discrete Dipole Approximation for Low-Energy Photoelectron Emission from NaCl Nanoparticles (open access)

Discrete Dipole Approximation for Low-Energy Photoelectron Emission from NaCl Nanoparticles

This work presents a model for the photoemission of electrons from sodium chloride nanoparticles 50-500 nm in size, illuminated by vacuum ultraviolet light with energy ranging from 9.4-10.9 eV. The discrete dipole approximation is used to calculate the electromagnetic field inside the particles, from which the two-dimensional angular distribution of emitted electrons is simulated. The emission is found to favor the particle?s geometrically illuminated side, and this asymmetry is compared to previous measurements performed at the Lawrence Berkeley National Laboratory. By modeling the nanoparticles as spheres, the Berkeley group is able to semi-quantitatively account for the observed asymmetry. Here however, the particles are modeled as cubes, which is closer to their actual shape, and the interaction of an emitted electron with the particle surface is also considered. The end result shows that the emission asymmetry for these low-energy electrons is more sensitive to the particle-surface interaction than to the specific particle shape, i.e., a sphere or cube.
Date: September 22, 2011
Creator: Berg, Matthew J.; Wilson, Kevin R.; Sorensen, Chris; Chakrabarti, Amit & Ahmed, Musahid
System: The UNT Digital Library
Validation of HADES-based Simulations of Radiographic Experiments at LLNL (open access)

Validation of HADES-based Simulations of Radiographic Experiments at LLNL

None
Date: June 22, 2011
Creator: Chen, H; Aufderheide, M; White, W T; Roberson, G P & Glascoe, L
System: The UNT Digital Library
Vessel network detection using contour evolution and color components (open access)

Vessel network detection using contour evolution and color components

Automated retinal screening relies on vasculature segmentation before the identification of other anatomical structures of the retina. Vasculature extraction can also be input to image quality ranking, neovascularization detection and image registration, among other applications. There is an extensive literature related to this problem, often excluding the inherent heterogeneity of ophthalmic clinical images. The contribution of this paper relies on an algorithm using front propagation to segment the vessel network. The algorithm includes a penalty in the wait queue on the fast marching heap to minimize leakage of the evolving interface. The method requires no manual labeling, a minimum number of parameters and it is capable of segmenting color ocular fundus images in real scenarios, where multi-ethnicity and brightness variations are parts of the problem.
Date: June 22, 2011
Creator: Ushizima, Daniela; Medeiros, Fatima; Cuadros, Jorge & Martins, Charles
System: The UNT Digital Library
Demonstration of a Plasma Mirror Based on a Laminar Flow Water Film (open access)

Demonstration of a Plasma Mirror Based on a Laminar Flow Water Film

A plasma mirror based on a laminar water film with low flow speed 0.5-2 cm/s has been developed and characterized, for use as an ultrahigh intensity optical reflector. The use of flowing water as atarget surface automatically results in each laser pulse seeing a new interaction surface and avoids the need for mechanical scanning of the target surface. In addition, the breakdown of water does notproduce contaminating debris that can be deleterious to vacuum chamber conditions and optics, such as is the case when using conventional solid targets. The mirror exhibits 70percent reflectivity, whilemaintaining high-quality of the reflected spot.
Date: July 22, 2011
Creator: Panasenko, Dmitriy; Shu, Anthony J.; Gonsalves, Anthony; Nakamura, Kei; Matlis, Nicholas H.; Toth, Csaba et al.
System: The UNT Digital Library
Tape-Drive Based Plasma Mirror (open access)

Tape-Drive Based Plasma Mirror

We present experimental results on a tape-drive based plasma mirror which could be used for a compact coupling of a laser beam into a staged laser driven electron accelerator. This novel kind of plasma mirror is suitable for high repetition rates and for high number of laser shots. In order to design a compact, staged laser plasma based accelerator or collider [1], the coupling of the laser beam into the different stages represents one of the key issues. To limit the spatial foot print and thus to realize a high overall acceleration gradient, a concept has to be found which realizes this in-coupling within a few centimeters (cf. Fig 1). The fluence of the laser pulse several centimeters away from the acceleration stage (focus) exceeds the damage threshold of any available mirror coating. Therefore, in reference [2] a plasma mirror was suggested for this purpose. We present experiments on a tape-drive based plasma mirror which could be used to reflect the focused laser beam into the acceleration stage. Plasma mirrors composed of antireflection coated glass substrates are usually used to improve the temporal laser contrast of laser pulses by several orders of magnitudes [3,4]. This is particularly important for laser …
Date: July 22, 2011
Creator: Sokollik, Thomas; Shiraishi, Satomi; Osterhoff, Jens; Evans, Eugene; Gonsalves, Anthony; Nakamura, Kei et al.
System: The UNT Digital Library
Investigation into Nanostructured Lanthanum Halides and CeBr{sub 3} for Nuclear Radiation Detection (open access)

Investigation into Nanostructured Lanthanum Halides and CeBr{sub 3} for Nuclear Radiation Detection

This slide-show presents work on radiation detection with nanostructured lanthanum halides and CeBr{sub 3}. The goal is to extend the gamma energy response on both low and high-energy regimes by demonstrating the ability to detect low-energy x-rays and relatively high-energy activation prompt gamma rays simultaneously using the nano-structured lanthanum bromide, lanthanum fluoride, cerium bromide, or other nanocrystal material. Homogeneous and nano structure cases are compared.
Date: June 22, 2011
Creator: Guss, P., Guise, R., Mukhopadhyay, S., Yuan, D.
System: The UNT Digital Library
Parallelizing Heavyweight Debugging Tools with MPIecho (open access)

Parallelizing Heavyweight Debugging Tools with MPIecho

None
Date: April 22, 2011
Creator: Rountree, B L; Cobb, G X; Gamblin, G T; Schulz, M W; de Supinski, B R & Tufo, H M
System: The UNT Digital Library
New Manufacturing Method for Paper filler and Fiber Material (open access)

New Manufacturing Method for Paper filler and Fiber Material

The study compares commercial available filler products with a new developed “Hybrid Fiber Filler Composite Material” and how main structural, optical and strength properties are affected by increasing the filler content of at least 5% over commercial values. The study consists of: (i) an overview of paper filler materials used in the paper production process, (ii) discusses the manufacturing technology of lime based filler materials for paper applications, (iii) gives an overview of new emerging paper filler technologies, (iv) discusses a filler evaluation of commercial available digital printing paper products, (v) reports from a detailed handsheet study and 12” pilot plant paper machine trial runs with the new Hybrid Fiber Filler Composite Material, and (vi) evaluates and compares commercial filler products and the new Hybrid Fiber Filler Composite Material with a life cycle analyses that explains manufacturing, economic and environmental benefits as they are applied to uncoated digital printing papers.
Date: November 22, 2011
Creator: Doelle, Klaus
System: The UNT Digital Library
Widespread spin polarization effects in photoemission from topological insulators (open access)

Widespread spin polarization effects in photoemission from topological insulators

High-resolution spin- and angle-resolved photoemission spectroscopy (spin-ARPES) was performed on the three-dimensional topological insulator Bi{sub 2}Se{sub 3} using a recently developed high-efficiency spectrometer. The topological surface state's helical spin structure is observed, in agreement with theoretical prediction. Spin textures of both chiralities, at energies above and below the Dirac point, are observed, and the spin structure is found to persist at room temperature. The measurements reveal additional unexpected spin polarization effects, which also originate from the spin-orbit interaction, but are well differentiated from topological physics by contrasting momentum and photon energy and polarization dependencies. These observations demonstrate significant deviations of photoelectron and quasiparticle spin polarizations. Our findings illustrate the inherent complexity of spin-resolved ARPES and demonstrate key considerations for interpreting experimental results.
Date: June 22, 2011
Creator: Jozwiak, C.; Chen, Y. L.; Fedorov, A. V.; Analytis, J. G.; Rotundu, C. R.; Schmid, A. K. et al.
System: The UNT Digital Library
BioPig: Developing Cloud Computing Applications for Next-Generation Sequence Analysis (open access)

BioPig: Developing Cloud Computing Applications for Next-Generation Sequence Analysis

Next Generation sequencing is producing ever larger data sizes with a growth rate outpacing Moore's Law. The data deluge has made many of the current sequenceanalysis tools obsolete because they do not scale with data. Here we present BioPig, a collection of cloud computing tools to scale data analysis and management. Pig is aflexible data scripting language that uses Apache's Hadoop data structure and map reduce framework to process very large data files in parallel and combine the results.BioPig extends Pig with capability with sequence analysis. We will show the performance of BioPig on a variety of bioinformatics tasks, including screeningsequence contaminants, Illumina QA/QC, and gene discovery from metagenome data sets using the Rumen metagenome as an example.
Date: March 22, 2011
Creator: Bhatia, Karan & Wang, Zhong
System: The UNT Digital Library
The Magnetoviscous-thermal Instability (open access)

The Magnetoviscous-thermal Instability

None
Date: June 22, 2011
Creator: Islam, T
System: The UNT Digital Library
Doping of GaN{sub 1-x}As{sub x} with high As content (open access)

Doping of GaN{sub 1-x}As{sub x} with high As content

Recent work has shown that GaN{sub 1-x}As{sub x} can be grown across the entire composition range by low temperature molecular beam epitaxy with intermediate compositions being amorphous, but control of the electrical properties through doping is critical for functionalizing this material. Here we report the bipolar doping of GaN{sub 1-x}As{sub x} with high As content to conductivities above 4 S/cm at room temperature using Mg or Te. The carrier type was confirmed by thermopower measurements. Doping requires an increase in Ga flux during growth resulting in a mixed phase material of polycrystalline GaAs:N embedded in amorphous GaN{sub 1-x}As{sub x}.
Date: September 22, 2011
Creator: Levander, A.X.; Novikov, S.V.; Liliental-Weber, Z.; dos Reis, R.; Dubon, O.D.; Wu, J. et al.
System: The UNT Digital Library
Design of Low-Noise Output Amplifiers for P-channel Charge-Coupled Devices Fabricated on High-Resistivity Silicon (open access)

Design of Low-Noise Output Amplifiers for P-channel Charge-Coupled Devices Fabricated on High-Resistivity Silicon

We describe the design and optimization of low-noise, single-stage output amplifiers for p-channel charge-coupled devices (CCDs) used for scientific applications in astronomy and other fields. The CCDs are fabricated on high-resistivity, 4000–5000 -cm, n-type silicon substrates. Single-stage amplifiers with different output structure designs and technologies have been characterized. The standard output amplifier is designed with an n{sup +} polysilicon gate that has a metal connection to the sense node. In an effort to lower the output amplifier readout noise by minimizing the capacitance seen at the sense node, buried-contact technology has been investigated. In this case, the output transistor has a p{sup +} polysilicon gate that connects directly to the p{sup +} sense node. Output structures with buried-contact areas as small as 2 μm × 2 μm are characterized. In addition, the geometry of the source-follower transistor was varied, and we report test results on the conversion gain and noise of the various amplifier structures. By use of buried-contact technology, better amplifier geometry, optimization of the amplifier biases and improvements in the test electronics design, we obtain a 45% reduction in noise, corresponding to 1.7 e{sup −} rms at 70 kpixels/sec.
Date: December 22, 2011
Creator: Haque, S.; Frost, F.; Groulx, R.; Holland, S. E.; Karcher, A.; Kolbe, W. F. et al.
System: The UNT Digital Library
MIX and Instability Growth from Oblique Shock (open access)

MIX and Instability Growth from Oblique Shock

We have studied the formation and evolution of shock-induced mix resulting from interface features in a divergent cylindrical geometry. In this research a cylindrical core of high-explosive was detonated to create an oblique shock wave and accelerate the interface. The interfaces studied were between the high-explosive/aluminum, aluminum/plastic, and finally plastic/air. Pre-emplaced surface features added to the aluminum were used to modify this interface. Time sequence radiographic imaging quantified the resulting instability formation from the growth phase to over 60 {micro}s post-detonation. Thus allowing the study of the onset of mix and evolution to turbulence. The plastic used here was porous polyethylene. Radiographic image data are compared with numerical simulations of the experiments.
Date: July 22, 2011
Creator: Molitoris, J D; Batteux, J D; Garza, R G; Tringe, J W; Souers, P C & Forbes, J W
System: The UNT Digital Library
Efficient Graph Based Assembly of Short-Read Sequences on Hybrid Core Architecture (open access)

Efficient Graph Based Assembly of Short-Read Sequences on Hybrid Core Architecture

Advanced architectures can deliver dramatically increased throughput for genomics and proteomics applications, reducing time-to-completion in some cases from days to minutes. One such architecture, hybrid-core computing, marries a traditional x86 environment with a reconfigurable coprocessor, based on field programmable gate array (FPGA) technology. In addition to higher throughput, increased performance can fundamentally improve research quality by allowing more accurate, previously impractical approaches. We will discuss the approach used by Convey?s de Bruijn graph constructor for short-read, de-novo assembly. Bioinformatics applications that have random access patterns to large memory spaces, such as graph-based algorithms, experience memory performance limitations on cache-based x86 servers. Convey?s highly parallel memory subsystem allows application-specific logic to simultaneously access 8192 individual words in memory, significantly increasing effective memory bandwidth over cache-based memory systems. Many algorithms, such as Velvet and other de Bruijn graph based, short-read, de-novo assemblers, can greatly benefit from this type of memory architecture. Furthermore, small data type operations (four nucleotides can be represented in two bits) make more efficient use of logic gates than the data types dictated by conventional programming models.JGI is comparing the performance of Convey?s graph constructor and Velvet on both synthetic and real data. We will present preliminary results on …
Date: March 22, 2011
Creator: Sczyrba, Alex; Pratap, Abhishek; Canon, Shane; Han, James; Copeland, Alex; Wang, Zhong et al.
System: The UNT Digital Library
Model Independent Bounds on Kinetic Mixing (open access)

Model Independent Bounds on Kinetic Mixing

New Abelian vector bosons can kinetically mix with the hypercharge gauge boson of the Standard Model. This letter computes the model independent limits on vector bosons with masses from 1 GeV to 1 TeV. The limits arise from the numerous e{sup +}e{sup -} experiments that have been performed in this energy range and bound the kinetic mixing by {epsilon} {approx}< 0.03 for most of the mass range studied, regardless of any additional interactions that the new vector boson may have.
Date: August 22, 2011
Creator: Hook, Anson; Izaguirre, Eder & Wacker, Jay G.
System: The UNT Digital Library
CP Violation Results from B Decays at BaBar (open access)

CP Violation Results from B Decays at BaBar

In the present paper we review recent experimental results from the BABAR experiment concerning the measurement of the CKM angles. A particular highlight is given to the novel independent determination of the angle {alpha} from B{sup 0} {yields} a{sub 1}(1260){sup {+-}}{pi}{sup {-+}} and to the recent full-luminosity updates of several angle {gamma} measurements.
Date: August 22, 2011
Creator: Biassoni, Pietro
System: The UNT Digital Library
CHARACTERIZATION OF PD IMPURITIES AND TWIN BOUNDARY DEFECTS IN DETECTOR GRADE CDZNTE CRYSTALS (open access)

CHARACTERIZATION OF PD IMPURITIES AND TWIN BOUNDARY DEFECTS IN DETECTOR GRADE CDZNTE CRYSTALS

Synthetic CdZnTe or ''CZT'' crystals are highly suitable for {gamma}-spectrometers operating at the room temperature. Secondary phases (SP) in CZT are known to inhibit detector performance, particularly when they are present in large numbers or dimensions. These SP may exist as voids or composites of non-cubic phase metallic Te layers with bodies of polycrystalline and amorphous CZT material and voids. Defects associated with crystal twining may also influence detector performance in CZT. Using transmission electron microscopy, we identify two types of defects that are on the nano scale. The first defect consists of 40 nm diameter metallic Pd/Te bodies on the grain boundaries of Te-rich composites. Although the nano-Pd/Te bodies around these composites may be unique to the growth source of this CZT material, noble metal impurities like these may contribute to SP formation in CZT. The second defect type consists of atom-scale grain boundary dislocations. Specifically, these involve inclined ''finite-sized'' planar defects or interfaces between layers of atoms that are associated with twins. Finite-sized twins may be responsible for the subtle but observable striations that can be seen with optical birefringence imaging and synchrotron X-ray topographic imaging.
Date: June 22, 2011
Creator: Duff, M.
System: The UNT Digital Library
On the behavior of Bronsted-Evans-Polanyi Relations for Transition Metal Oxides (open access)

On the behavior of Bronsted-Evans-Polanyi Relations for Transition Metal Oxides

Versatile Broensted-Evans-Polanyi (BEP) relations are found from density functional theory for a wide range of transition metal oxides including rutiles and perovskites. For oxides, the relation depends on the type of oxide, the active site and the dissociating molecule. The slope of the BEP relation is strongly coupled to the adsorbate geometry in the transition state. If it is final state-like the dissociative chemisorption energy can be considered as a descriptor for the dissociation. If it is initial state-like, on the other hand, the dissociative chemisorption energy is not suitable as descriptor for the dissociation. Dissociation of molecules with strong intramolecular bonds belong to the former and molecules with weak intramolecular bonds to the latter group. We show, for the prototype system La-perovskites, that there is a 'cyclic' behavior in the transition state characteristics upon change of the active transition metal of the oxide.
Date: August 22, 2011
Creator: Vojvodic, Aleksandra
System: The UNT Digital Library