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Paralization and check pointing of GPU applications through program transformation

Description: GPUs have emerged as a powerful tool for accelerating general-purpose applications. The availability of programming languages that makes writing general-purpose applications for running on GPUs tractable have consolidated GPUs as an alternative for accelerating generalpurpose applications. Among the areas that have bene#12;ted from GPU acceleration are: signal and image processing, computational uid dynamics, quantum chemistry, and, in general, the High Performance Computing (HPC) Industry. In order to continue to exploit higher levels of parallelism with GPUs, multi-GPU systems are gaining popularity. In this context, single-GPU applications are parallelized for running in multi-GPU systems. Furthermore, multi-GPU systems help to solve the GPU memory limitation for applications with large application memory footprint. Parallelizing single-GPU applications has been approached by libraries that distribute the workload at runtime, however, they impose execution overhead and are not portable. On the other hand, on traditional CPU systems, parallelization has been approached through application transformation at pre-compile time, which enhances the application to distribute the workload at application level and does not have the issues of library-based approaches. Hence, a parallelization scheme for GPU systems based on application transformation is needed. Like any computing engine of today, reliability is also a concern in GPUs. GPUs are vulnerable to transient and permanent failures. Current checkpoint/restart techniques are not suitable for systems with GPUs. Checkpointing for GPU systems present new and interesting challenges, primarily due to the natural di#11;erences imposed by the hardware design, the memory subsystem architecture, the massive number of threads, and the limited amount of synchronization among threads. Therefore, a checkpoint/restart technique suitable for GPU systems is needed. The goal of this work is to exploit higher levels of parallelism and to develop support for application-level fault tolerance in applications using multiple GPUs. Our techniques reduce the burden of enhancing single-GPU applications to support these features. ...
Date: November 15, 2012
Creator: Solano-Quinde, Lizandro Dami#19 & Laboratory], an
Partner: UNT Libraries Government Documents Department

Phase-field investigation on the non-equilibrium interface dynamics of rapid alloy solidification

Description: The research program reported here is focused on critical issues that represent conspicuous gaps in current understanding of rapid solidification, limiting our ability to predict and control microstructural evolution (i.e. morphological dynamics and microsegregation) at high undercooling, where conditions depart significantly from local equilibrium. More specifically, through careful application of phase-field modeling, using appropriate thin-interface and anti-trapping corrections and addressing important details such as transient effects and a velocity-dependent (i.e. adaptive) numerics, the current analysis provides a reasonable simulation-based picture of non-equilibrium solute partitioning and the corresponding oscillatory dynamics associated with single-phase rapid solidification and show that this method is a suitable means for a self-consistent simulation of transient behavior and operating point selection under rapid growth conditions. Moving beyond the limitations of conventional theoretical/analytical treatments of non-equilibrium solute partitioning, these results serve to substantiate recent experimental findings and analytical treatments for single-phase rapid solidification. The departure from the equilibrium solid concentration at the solid-liquid interface was often observed during rapid solidification, and the energetic associated non-equilibrium solute partitioning has been treated in detail, providing possible ranges of interface concentrations for a given growth condition. Use of these treatments for analytical description of specific single-phase dendritic and cellular operating point selection, however, requires a model for solute partitioning under a given set of growth conditions. Therefore, analytical solute trapping models which describe the chemical partitioning as a function of steady state interface velocities have been developed and widely utilized in most of the theoretical investigations of rapid solidification. However, these solute trapping models are not rigorously verified due to the difficulty in experimentally measuring under rapid growth conditions. Moreover, since these solute trapping models include kinetic parameters which are difficult to directly measure from experiments, application of the solute trapping models or the associated analytic rapid solidification model is limited. ...
Date: August 15, 2011
Creator: Choi, Jeong
Partner: UNT Libraries Government Documents Department

Optically Detected Magnetic Resonance Studies on π-conjugated semiconductor systems

Description: Optically Detected Magnetic Resonance (ODMR) techniques were used to investigate the dynamics of excitons and charge carriers in π-conjugated organic semiconductors. Degradation behavior of the negative spin-1/2 electroluminescence-detected magnetic resonance (ELDMR) was observed in Alq3 devices. The increase in the resonance amplitude implies an increasing bipolaron formation during degradation, which might be the result of growth of charge traps in the device. The same behavior of the negative spin-1/2 ELDMR was observed in 2wt% Rubrene doped Tris(8-hydroxyquinolinato)aluminium (Alq3) devices. However, with increasing injection current, a positive spin-1/2 ELDMR, together with positive spin 1 triplet powder patterns at {delta}m{sub S}={+-}1 and {delta}m{sub S}={+-}2, emerges. Due to the similarities in the frequency dependences of single and double modulated ELDMR and the photoluminescence-detected magnetic resonance (PLDMR) results in poly[2-methoxy-5-(2 -ethyl-hexyloxy)-1,4-phenyl ene vinylene] (MEH-PPV) films, the mechanism for this positive spin-1/2 ELDMR was assigned to enhanced triplet-polaron quenching under resonance conditions. The ELDMR in rubrene doped Alq3 devices provides a path to investigate charge distribution in the device under operational conditions. Combining the results of several devices with different carrier blocking properties and the results from transient EL, it was concluded trions not only exist near buffer layer but also exist in the electron transport layer. This TPQ model can also be used to explain the positive spin-1/2 PLDMR in poly(3-hexylthiophene) (P3HT) films at low temperature and in MEH-PPV films at various temperatures up to room temperature. Through quantitative analysis, TE-polaron quenching (TPQ) model is shown having the ability to explain most behaviors of the positive spin-1/2 resonance. Photocurrent detected magnetic resonance (PCDMR) studies on MEH-PPV devices revealed a novel transient resonance signal. The signal may originate from the higher concentration of deep traps near cathode. A quantitative analysis based on this assumption was carried out and found to be consistent with the experimental ...
Date: December 6, 2011
Creator: Chen, Ying
Partner: UNT Libraries Government Documents Department

Computational fluid dynamic modeling of fluidized-bed polymerization reactors

Description: Polyethylene is one of the most widely used plastics, and over 60 million tons are produced worldwide every year. Polyethylene is obtained by the catalytic polymerization of ethylene in gas and liquid phase reactors. The gas phase processes are more advantageous, and use fluidized-bed reactors for production of polyethylene. Since they operate so close to the melting point of the polymer, agglomeration is an operational concern in all slurry and gas polymerization processes. Electrostatics and hot spot formation are the main factors that contribute to agglomeration in gas-phase processes. Electrostatic charges in gas phase polymerization fluidized bed reactors are known to influence the bed hydrodynamics, particle elutriation, bubble size, bubble shape etc. Accumulation of electrostatic charges in the fluidized-bed can lead to operational issues. In this work a first-principles electrostatic model is developed and coupled with a multi-fluid computational fluid dynamic (CFD) model to understand the effect of electrostatics on the dynamics of a fluidized-bed. The multi-fluid CFD model for gas-particle flow is based on the kinetic theory of granular flows closures. The electrostatic model is developed based on a fixed, size-dependent charge for each type of particle (catalyst, polymer, polymer fines) phase. The combined CFD model is first verified using simple test cases, validated with experiments and applied to a pilot-scale polymerization fluidized-bed reactor. The CFD model reproduced qualitative trends in particle segregation and entrainment due to electrostatic charges observed in experiments. For the scale up of fluidized bed reactor, filtered models are developed and implemented on pilot scale reactor.
Date: November 2, 2012
Creator: Rokkam, Ram
Partner: UNT Libraries Government Documents Department

Campbell penetration depth in Fe-based superconductors

Description: A 'true' critical current density, j{sub c}, as opposite to commonly measured relaxed persistent (Bean) current, j{sub B}, was extracted from the Campbell penetration depth, {lambda}{sub c}(T,H) measured in single crystals of LiFeAs, and optimally electron-doped Ba(Fe{sub 0.954}Ni{sub 0.046}){sub 2}As{sub 2} (FeNi122). In LiFeAs, the effective pinning potential is nonparabolic, which follows from the magnetic field - dependent Labusch parameter {alpha}. At the equilibrium (upon field - cooling), {alpha}(H) is non-monotonic, but it is monotonic at a finite gradient of the vortex density. This behavior leads to a faster magnetic relaxation at the lower fields and provides a natural dynamic explanation for the fishtail (second peak) effect. We also find the evidence for strong pinning at the lower fields.The inferred field dependence of the pinning potential is consistent with the evolution from strong pinning, through collective pinning, and eventually to a disordered vortex lattice. The value of j{sub c}(2 K) {approx_equal} 1.22 x 10{sup 6} A/cm{sup 2} provide an upper estimate of the current carrying capability of LiFeAs. Overall, vortex behavior of almost isotropic, fully-gapped LiFeAs is very similar to highly anisotropic d-wave cuprate superconductors, the similarity that requires further studies in order to understand unconventional superconductivity in cuprates and pnictides. In addition to LiFeAs, we also report the magnetic penetration depth in BaFe{sub 2}As{sub 2} based superconductors including irradiation of FeNi122. In unirradiated FeNi122, the maximum critical current value is, j{sub c}(2K) {approx_equal} 3.3 x 10{sup 6} A/cm{sup 2}. The magnetic-dependent feature was observed near the transition temperature in FeTe{sub 0.53}Se{sub 0.47} and irradiated FeNi122. Because of this feature, further studies are required in order to properly calibrate the Campbell penetration depth. Finally, we detected the crossing between the magnetic penetration depth and London penetration depth in optimally hold-doped Ba{sub 0.6}K{sub 0.4}Fe{sub 2}As{sub 2} (BaK122) and isovalent doped BaFe{sub ...
Date: August 15, 2011
Creator: Prommapan, Plegchart
Partner: UNT Libraries Government Documents Department

Cellular membrane trafficking of mesoporous silica nanoparticles

Description: This dissertation mainly focuses on the investigation of the cellular membrane trafficking of mesoporous silica nanoparticles. We are interested in the study of endocytosis and exocytosis behaviors of mesoporous silica nanoparticles with desired surface functionality. The relationship between mesoporous silica nanoparticles and membrane trafficking of cells, either cancerous cells or normal cells was examined. Since mesoporous silica nanoparticles were applied in many drug delivery cases, the endocytotic efficiency of mesoporous silica nanoparticles needs to be investigated in more details in order to design the cellular drug delivery system in the controlled way. It is well known that cells can engulf some molecules outside of the cells through a receptor-ligand associated endocytosis. We are interested to determine if those biomolecules binding to cell surface receptors can be utilized on mesoporous silica nanoparticle materials to improve the uptake efficiency or govern the mechanism of endocytosis of mesoporous silica nanoparticles. Arginine-glycine-aspartate (RGD) is a small peptide recognized by cell integrin receptors and it was reported that avidin internalization was highly promoted by tumor lectin. Both RGD and avidin were linked to the surface of mesoporous silica nanoparticle materials to investigate the effect of receptor-associated biomolecule on cellular endocytosis efficiency. The effect of ligand types, ligand conformation and ligand density were discussed in Chapter 2 and 3. Furthermore, the exocytosis of mesoporous silica nanoparticles is very attractive for biological applications. The cellular protein sequestration study of mesoporous silica nanoparticles was examined for further information of the intracellular pathway of endocytosed mesoporous silica nanoparticle materials. The surface functionality of mesoporous silica nanoparticle materials demonstrated selectivity among the materials and cancer and normal cell lines. We aimed to determine the specific organelle that mesoporous silica nanoparticles could approach via the identification of harvested proteins from exocytosis process. Based on the study of endo- and exocytosis behavior ...
Date: June 21, 2012
Creator: Fang, I-Ju
Partner: UNT Libraries Government Documents Department

Cellulose and cellobiose: adventures of a wandering organic chemist in theoretical chemistry

Description: The energies arising from the rotation of free hydroxyl groups in the central glucose residue of a cellulose crystalline assembly, calculated using RHF, DFT, and FMO2/MP2 methods, will be presented. In addition, interactions of this central glucose residue with some of the surrounding residues (selected on the basis of the interaction strengths) are analyzed. The mechanism of acid-catalyzed hydrolysis of cellobiose, which is the repeating unit of cellulose. Energies corresponding to the different steps of this mechanism calculated using RHF and DFT are compared with those previously reported using molecular dynamics calculations and with experimental data.
Date: April 3, 2012
Creator: Baluyut, John
Partner: UNT Libraries Government Documents Department

Controlling atomistic processes on Pb films via quantum size effects and lattice rotation

Description: The two main techniques used to record the data in this dissertation were Spot Profile Analysis - Low Energy Electron Diffraction (SPA-LEED) and Scanning Tunneling Microscopy (STM). A specific data analysis technique for LEED data called G(S) curves is described in depth. G(S) curves can provide a great deal of structural information about the surface; including step heights, island size, and island separation. The effects of quantum size effects (QSE) on the diffusion and critical island sizes of Pb and In on Pb #12;films are reported. Pb depositions on the 2D In phases {radical}3 and {radical}31 to see how the phases affect the Pb growth and its strong QSE are reported.
Date: June 14, 2012
Creator: Binz, Steven
Partner: UNT Libraries Government Documents Department

Bulk gold catalyzed oxidation reactions of amines and isocyanides and iron porphyrin catalyzed N-H and O-H bond insertion/cyclization reactions of diamines and aminoalcohols

Description: This work involves two projects. The first project entails the study of bulk gold as a catalyst in oxidation reactions of isocyanides and amines. The main goal of this project was to study the activation and reactions of molecules at metal surfaces in order to assess how organometallic principles for homogeneous processes apply to heterogeneous catalysis. Since previous work had used oxygen as an oxidant in bulk gold catalyzed reactions, the generality of gold catalysis with other oxidants was examined. Amine N-oxides were chosen for study, due to their properties and use in the oxidation of carbonyl ligands in organometallic complexes. When amine N-oxides were used as an oxidant in the reaction of isocyanides with amines, the system was able to produce ureas from a variety of isocyanides, amines, and amine N-oxides. In addition, the rate was found to generally increase as the amine N-oxide concentration increased, and decrease with increased concentrations of the amine. Mechanistic studies revealed that the reaction likely involves transfer of an oxygen atom from the amine N-oxide to the adsorbed isocyanide to generate an isocyanate intermediate. Subsequent nucleophilic attack by the amine yields the urea. This is in contrast to the bulk gold-catalyzed reaction mechanism of isocyanides with amines and oxygen. Formation of urea in this case was proposed to proceed through a diaminocarbene intermediate. Moreover, formation of the proposed isocyanate intermediate is consistent with the reactions of metal carbonyl ligands, which are isoelectronic to isocyanides. Nucleophilic attack at coordinated CO by amine N-oxides produces CO{sub 2} and is analogous to the production of an isocyanate in this gold system. When the bulk gold-catalyzed oxidative dehydrogenation of amines was examined with amine N-oxides, the same products were afforded as when O{sub 2} was used as the oxidant. When the two types of oxidants were directly ...
Date: December 29, 2011
Creator: Klobukowski, Erik
Partner: UNT Libraries Government Documents Department

Al-Ca and Al-Fe metal-metal composite strength, conductivity, and microstructure relationships

Description: Deformation processed metal-metal composites (DMMC’s) are composites formed by mechanical working (i.e., rolling, swaging, or wire drawing) of two-phase, ductile metal mixtures. Since both the matrix and reinforcing phase are ductile metals, the composites can be heavily deformed to reduce the thickness and spacing of the two phases. Recent studies have shown that heavily drawn DMMCs can achieve anomalously high strength and outstanding combinations of strength and conductivity. In this study, Al-Fe wire composite with 0.07, 0.1, and 0.2 volume fractions of Fe filaments and Al-Ca wire composite with 0.03, 0.06, and 0.09 volume fractions of Ca filaments were produced in situ, and their mechanical properties were measured as a function of deformation true strain. The Al-Fe composites displayed limited deformation of the Fe phase even at high true strains, resulting in little strengthening effect in those composites. Al-9vol%Ca wire was deformed to a deformation true strain of 13.76. The resulting Ca second-phase filaments were deformed to thicknesses on the order of one micrometer. The ultimate tensile strength increased exponentially with increasing deformation true strain, reaching a value of 197 MPa at a true strain of 13.76. This value is 2.5 times higher than the value predicted by the rule of mixtures. A quantitative relationship between UTS and deformation true strain was determined. X-ray diffraction data on transformation of Al + Ca microstructures to Al + various Al-Ca intermetallic compounds were obtained at the Advanced Photon Source at Argonne National Laboratory. Electrical conductivity was measured over a range of true strains and post-deformation heat treatment schedules.
Date: December 1, 2011
Creator: Kim, Hyong June
Partner: UNT Libraries Government Documents Department

Mesoporous silica nanoparticles as smart and safe devices for regulating blood biomolecule levels

Description: Stimuli-responsive end-capped MSN materials are promising drug carriers that securely deliver a large payload of drug molecules without degradation or premature release. A general review of the recent progress in this field is presented, including a summary of a series of hard and soft caps for drug encapsulation and a variety of internal and external stimuli for controlled release of different therapeutics, a discussion of the biocompatibility of MSN both in vitro and in vivo, and a description of the sophisticated stimuli-responsive systems with novel capping agents and controlled release mechanism. The unique internal and external surfaces of MSN were utilized for the development of a glucose-responsive double delivery system end-capped with insulin. This unique system consists of functionalized MSNs capable of releasing insulin when the concentration of sugar in blood exceeds healthy levels. The insulin-free nanoparticles are then up taken by pancreatic cells, and release inside of them another biomolecule that stimulates the production of more insulin. The in vivo application of this system for the treatment of diabetes requires further understanding on the biological behaviors of these nanoparticles in blood vessels. The research presented in this dissertation demonstrated the size and surface effects on the interaction of MSNs with red blood cell membranes, and discovered how the surface of the nanoparticles can be modified to improve their compatibility with red blood cells and avoid their dangerous side effects. In order to optimize the properties of MSN for applying them as efficient intracellular drug carriers it is necessary to understand the factors that can regulate their internalization into and exocytosis out of the cells. The correlation between the particle morphology and aggregation of MSNs to the effectiveness of cellular uptake is discussed and compared with different cell lines. The differences in the degree of exocytosis of MSNs between healthy ...
Date: May 15, 2011
Creator: Zhao, Yan
Partner: UNT Libraries Government Documents Department

Mesoporous silica nanoparticles for biomedical and catalytical applications

Description: Mesoporous silica materials, discovered in 1992 by the Mobile Oil Corporation, have received considerable attention in the chemical industry due to their superior textual properties such as high surface area, large pore volume, tunable pore diameter, and narrow pore size distribution. Among those materials, MCM-41, referred to Mobile Composition of Matter NO. 41, contains honeycomb liked porous structure that is the most common mesoporous molecular sieve studied. Applications of MCM-41 type mesoporous silica material in biomedical field as well as catalytical field have been developed and discussed in this thesis. The unique features of mesoporous silica nanoparticles were utilized for the design of delivery system for multiple biomolecules as described in chapter 2. We loaded luciferin into the hexagonal channels of MSN and capped the pore ends with gold nanoparticles to prevent premature release. Luciferase was adsorbed onto the outer surface of the MSN. Both the MSN and the gold nanoparticles were protected by poly-ethylene glycol to minimize nonspecific interaction of luciferase and keep it from denaturating. Controlled release of luciferin was triggered within the cells and the enzymatic reaction was detected by a luminometer. Further developments by varying enzyme/substrate pairs may provide opportunities to control cell behavior and manipulate intracellular reactions. MSN was also served as a noble metal catalyst support due to its large surface area and its stability with active metals. We prepared MSN with pore diameter of 10 nm (LP10-MSN) which can facilitate mass transfer. And we successfully synthesized an organo silane, 2,2'-Bipyridine-amide-triethoxylsilane (Bpy-amide-TES). Then we were able to functionalize LP10-MSN with bipyridinyl group by both post-grafting method and co-condensation method. Future research of this material would be platinum complexation. This Pt (II) complex catalyst has been reported for a C-H bond activation reaction as an alternative of the traditional Friedel-Crafts reaction. And we will compare ...
Date: May 15, 2011
Creator: Sun, Xiaoxing
Partner: UNT Libraries Government Documents Department

Metal thin film growth on multimetallic surfaces: From quaternary metallic glass to binary crystal

Description: The work presented in this thesis mainly focuses on the nucleation and growth of metal thin films on multimetallic surfaces. First, we have investigated the Ag film growth on a bulk metallic glass surface. Next, we have examined the coarsening and decay of bilayer Ag islands on NiAl(110) surface. Third, we have investigated the Ag film growth on NiAl(110) surface using low-energy electron diffraction (LEED). At last, we have reported our investigation on the epitaxial growth of Ni on NiAl(110) surface. Some general conclusions can be drawn as follows. First, Ag, a bulk-crystalline material, initially forms a disordered wetting layer up to 4-5 monolayers on Zr-Ni-Cu-Al metallic glass. Above this coverage, crystalline 3D clusters grow, in parallel with the flatter regions. The cluster density increases with decreasing temperature, indicating that the conditions of island nucleation are far-from-equilibrium. Within a simple model where clusters nucleate whenever two mobile Ag adatoms meet, the temperature-dependence of cluster density yields a (reasonable) upper limit for the value of the Ag diffusion barrier on top of the Ag wetting layer of 0.32 eV. Overall, this prototypical study suggests that it is possible to grow films of a bulk-crystalline metal that adopt the amorphous character of a glassy metal substrate, if film thickness is sufficiently low. Next, the first study of coarsening and decay of bilayer islands has been presented. The system was Ag on NiAl(110) in the temperature range from 185 K to 250 K. The coarsening behavior, has some similarities to that seen in the Ag(110) homoepitaxial system studied by Morgenstern and co-workers. At 185 K and 205 K, coarsening of Ag islands follows a Smoluchowski ripening pathway. At 205 K and 250 K, the terrace diffusion limited Ostwald ripening dominants. The experimental observed temperature for the transition from SR to OR is 205 ...
Date: December 15, 2010
Creator: Jing, Dapeng
Partner: UNT Libraries Government Documents Department

MicroCantilever (MC) based nanomechanical sensor for detection of molecular interactions

Description: Specific aims of this study are to investigate the mechanism governing surface stress generation associated with chemical or molecular binding on functionalized microcantilevers. Formation of affinity complexes on cantilever surfaces leads to charge redistribution, configurational change and steric hindrance between neighboring molecules resulting in surface stress change and measureable cantilever deformation. A novel interferometry technique employing two adjacent micromachined cantilevers (a sensing/reference pair) was utilized to measure the cantilever deformation. The sensing principle is that binding/reaction of specific chemical or biological species on the sensing cantilever transduces to mechanical deformation. The differential bending of the sensing cantilever respect to the reference cantilever ensures that measured response is insensitive to environmental disturbances. As a proof of principle for the measurement technique, surface stress changes associated with: self-assembly of alkanethiol, hybridization of ssDNA, and the formation of cocaine-aptamer complexes were measured. Dissociation constant (K{sub d}) for each molecular reaction was utilized to estimate the surface coverage of affinity complexes. In the cases of DNA hybridization and cocaine-aptamer binding, measured surface stress was found to be dependent on the surface coverage of the affinity complexes. In order to achieve a better sensitivity for DNA hybridization, immobilization of receptor molecules was modified to enhance the deformation of underlying surface. Single-stranded DNA (ssDNA) strands with thiol-modification on both 3-foot and 5-foot ends were immobilized on the gold surface such that both ends are attached to the gold surface. Immobilization condition was controlled to obtain similar receptor density as single-thiolated DNA strands. Hybridization of double-thiolated DNA strands leads to an almost two orders of magnitude increase in cantilever deformation. In both DNA hybridization and the conventional mode for cocaine detection, the lowest detectable concentration was determined by binding activity between the ligand and receptor molecules. In order to overcome this limitation for cocaine detection, a novel ...
Date: May 11, 2011
Creator: Kang, Kyung
Partner: UNT Libraries Government Documents Department

Microstructure study of the rare-earth intermetallic compounds R5(SixGe1-x)4 and R5(SixGe1-x)3

Description: The unique combination of magnetic properties and structural transitions exhibited by many members of the R{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} family (R = rare earths, 0 ≤ x ≤ 1) presents numerous opportunities for these materials in advanced energy transformation applications. Past research has proven that the crystal structure and magnetic ordering of the R{sub 5(Si{sub x}Ge{sub 1-x}){sub 4} compounds can be altered by temperature, magnetic field, pressure and the Si/Ge ratio. Results of this thesis study on the crystal structure of the Er{sub 5}Si{sub 4} compound have for the first time shown that the application of mechanical forces (i.e. shear stress introduced during the mechanical grinding) can also result in a structural transition from Gd{sub 5}Si{sub 4}-type orthorhombic to Gd{sub 5}Si{sub 2}Ge{sub 2}-type monoclinic. This structural transition is reversible, moving in the opposite direction when the material is subjected to low-temperature annealing at 500 ˚C. Successful future utilization of the R{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} family in novel devices depends on a fundamental understanding of the structure-property interplay on the nanoscale level, which makes a complete understanding of the microstructure of this family especially important. Past scanning electron microscopy (SEM) observation has shown that nanometer-thin plates exist in every R{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} (“5:4”) phase studied, independent of initial parent crystal structure and composition. A comprehensive electron microscopy study including SEM, energy dispersive spectroscopy (EDS), selected area diffraction (SAD), and high resolution transmission electron microscopy (HRTEM) of a selected complex 5:4 compound based on Er rather than Gd, (Er{sub 0.9Lu{sub 0.1}){sub 5}Si{sub 4}, has produced data supporting the assumption that all the platelet-like features present in the R{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} family are hexagonal R{sub 5}(Si{sub x}Ge{sub 1-x}){sub 3} (“5:3”) phase and possess the same reported orientation relationship that exists for the Gd{sub 5}Ge{sub 4} and Gd{sub ...
Date: July 26, 2012
Creator: Cao, Qing
Partner: UNT Libraries Government Documents Department

Laser Processing of Metals and Polymers

Description: A laser offers a unique set of opportunities for precise delivery of high quality coherent energy. This energy can be tailored to alter the properties of material allowing a very flexible adjustment of the interaction that can lead to melting, vaporization, or just surface modification. Nowadays laser systems can be found in nearly all branches of research and industry for numerous applications. Sufficient evidence exists in the literature to suggest that further advancements in the field of laser material processing will rely significantly on the development of new process schemes. As a result they can be applied in various applications starting from fundamental research on systems, materials and processes performed on a scientific and technical basis for the industrial needs. The interaction of intense laser radiation with solid surfaces has extensively been studied for many years, in part, for development of possible applications. In this thesis, I present several applications of laser processing of metals and polymers including polishing niobium surface, producing a superconducting phase niobium nitride and depositing thin films of niobium nitride and organic material (cyclic olefin copolymer). The treated materials were examined by scanning electron microscopy (SEM), electron probe microanalysis (EPMA), atomic force microscopy (AFM), high resolution optical microscopy, surface profilometry, Fourier transform infrared spectroscopy (FTIR) and x-ray diffraction (XRD). Power spectral density (PSD) spectra computed from AFM data gives further insight into the effect of laser melting on the topography of the treated niobium.
Date: May 31, 2012
Creator: Singaravelu, Senthilraja
Partner: UNT Libraries Government Documents Department

Plasminogen activator inhibitor 1: Mechanisms of its synergistic regulation by growth factors

Description: My research is on the synergistic regulation of PAI-1 by EGF and TGF-β. The mechanism of synergistic regulation of PAI-1 by EGF and TGF-β are addressed. Methods are described for effective identification of RNA accessible sites for antisense oligodexoxynucleotides (ODNs) and siRNA. In this study effective AS-ODN sequences for both Lcn2 and Bcl2 were identified by in vitro tiled microarray studies. Our results suggest that hybridization of ODN arrays to a target mRNA under physiological conditions might be used as a rapid and reliable in vitro method to accurately identify targets on mRNA molecules for effective antisense and potential siRNA activity in vivo.
Date: December 1, 2011
Creator: Song, Xiaoling
Partner: UNT Libraries Government Documents Department

Extending the frontiers of mass spectrometric instrumentation and methods

Description: The focus of this dissertation is two-fold: developing novel analysis methods using mass spectrometry and the implementation and characterization of a novel ion mobility mass spectrometry instrumentation. The novel mass spectrometry combines ion trap for ion/ion reactions coupled to an ion mobility cell. The long term goal of this instrumentation is to use ion/ion reactions to probe the structure of gas phase biomolecule ions. The three ion source - ion trap - ion mobility - qTOF mass spectrometer (IT - IM - TOF MS) instrument is described. The analysis of the degradation products in coal (Chapter 2) and the imaging plant metabolites (Appendix III) fall under the methods development category. These projects use existing commercial instrumentation (JEOL AccuTOF MS and Thermo Finnigan LCQ IT, respectively) for the mass analysis of the degraded coal products and the plant metabolites, respectively. The coal degradation paper discusses the use of the DART ion source for fast and easy sample analysis. The sample preparation consisted of a simple 50 fold dilution of the soluble coal products in water and placing the liquid in front of the heated gas stream. This is the first time the DART ion source has been used for analysis of coal. Steven Raders under the guidance of John Verkade came up with the coal degradation projects. Raders performed the coal degradation reactions, worked up the products, and sent them to me. Gregg Schieffer developed the method and wrote the paper demonstrating the use of the DART ion source for the fast and easy sample analysis. The plant metabolite imaging project extends the use of colloidal graphite as a sample coating for atmospheric pressure LDI. DC Perdian and I closely worked together to make this project work. Perdian focused on building the LDI setup whereas Schieffer focused on the MSn analysis ...
Date: December 15, 2010
Creator: Schieffer, Gregg
Partner: UNT Libraries Government Documents Department

Microstructures and oxidation behavior of some Molybdenum based alloys

Description: The advent of Ni based superalloys revolutionized the high temperature alloy industry. These materials are capable of operating in extremely harsh environments, comprising of temperatures around 1050 C, under oxidative conditions. Demands for increased fuel efficiency, however, has highlighted the need for materials that can be used under oxidative conditions at temperatures in excess of 1200 C. The Ni based superalloys are restricted to lower temperatures due to the presence of a number of low melting phases that melt in the 1250 - 1450 C, resulting in softening of the alloys above 1000 C. Therefore, recent research directions have been skewed towards exploring and developing newer alloy systems. This thesis comprises a part of such an effort. Techniques for rapid thermodynamic assessments were developed and applied to two different systems - Mo-Si alloys with transition metal substitutions (and this forms the first part of the thesis) and Ni-Al alloys with added components for providing high temperature strength and ductility. A hierarchical approach towards alloy design indicated the Mo-Ni-Al system as a prospective candidate for high temperature applications. Investigations on microstructures and oxidation behavior, under both isothermal and cyclic conditions, of these alloys constitute the second part of this thesis. It was seen that refractory metal systems show a marked microstructure dependence of oxidation.
Date: December 15, 2010
Creator: Ray, Pratik Kumar
Partner: UNT Libraries Government Documents Department

Gas atomized precursor alloy powder for oxide dispersion strengthened ferritic stainless steel

Description: Gas atomization reaction synthesis (GARS) was employed as a simplified method for producing precursor powders for oxide dispersion strengthened (ODS) ferritic stainless steels (e.g., Fe-Cr-Y-(Ti,Hf)-O), departing from the conventional mechanical alloying (MA) process. During GARS processing a reactive atomization gas (i.e., Ar-O{sub 2}) was used to oxidize the powder surfaces during primary break-up and rapid solidification of the molten alloy. This resulted in envelopment of the powders by an ultra-thin (t < 150 nm) metastable Cr-enriched oxide layer that was used as a vehicle for solid-state transport of O into the consolidated microstructure. In an attempt to better understand the kinetics of this GARS reaction, theoretical cooling curves for the atomized droplets were calculated and used to establish an oxidation model for this process. Subsequent elevated temperature heat treatments, which were derived from Rhines pack measurements using an internal oxidation model, were used to promote thermodynamically driven O exchange reactions between trapped films of the initial Cr-enriched surface oxide and internal Y-enriched intermetallic precipitates. This novel microstructural evolution process resulted in the successful formation of nano-metric Y-enriched dispersoids, as confirmed using high energy X-ray diffraction and transmission electron microscopy (TEM), equivalent to conventional ODS alloys from MA powders. The thermal stability of these Y-enriched dispersoids was evaluated using high temperature (1200°C) annealing treatments ranging from 2.5 to 1,000 hrs of exposure. In a further departure from current ODS practice, replacing Ti with additions of Hf appeared to improve the Y-enriched dispersoid thermal stability by means of crystal structure modification. Additionally, the spatial distribution of the dispersoids was found to depend strongly on the original rapidly solidified microstructure. To exploit this, ODS microstructures were engineered from different powder particle size ranges, illustrating microstructural control as a function of particle solidification rate. The consolidation of ultra-fine powders (dia. ≤ 5μm) resulted in ...
Date: December 13, 2011
Creator: Rieken, Joel
Partner: UNT Libraries Government Documents Department

Generation and Characterization of Anisotropic Microstructures in Rare Earth-Iron-Boron Alloys

Description: The goal of this work is to investigate methods in which anisotropy could be induced in fine-grained alloys. We have identified two general processing routes to creating a fine, textured microstructure: form an amorphous precursor and devitrify in a manner that induces texture or form the fine, textured microstructure upon cooling directly from the liquid state. Since it is possible to form significant amounts of amorphous material in RE-Fe-B alloys, texture could be induced through biasing the orientationof the crystallites upon crystallization of the amorphous material. One method of creating this bias is to form glassy material and apply uniaxial pressure during crystallization. Experiments on this are presented. All of the work presented here utilizes melt-spinning, either to create precursor material, or to achieve a desired final microstructure. To obtain greater control of the system to process these materials, a study was done on the effects of heating the wheel and modifying the wheel’s surface finish on glass formation and phase selection. The second general approach—creating the desired microstructure directly from the liquid—can be done through directional rapid solidification. In particular, alloys melt-spun at low tangential wheel speeds often display directional columnar growth through a portion of the ribbon. By refining and stabilizing the columnar growth, a highly textured fine microstructure is achieved. The effects of adding a segregating element (Ag) on the columnar growth are characterized and presented.
Date: April 23, 2012
Creator: Oster, Nathaniel
Partner: UNT Libraries Government Documents Department

Laser ablation-inductively coupled plasma-mass spectrometry: Examinations of the origins of polyatomic ions and advances in the sampling of particulates

Description: This dissertation provides a general introduction to Inductively coupled plasma-mass spectrometry (ICP-MS) and laser ablation (LA) sampling, with an examination of analytical challenges in the employment of this technique. It discusses the origin of metal oxide ions (MO+) in LA-ICP-MS, as well as the effect of introducing helium and nitrogen to the aerosol gas flow on the formation of these polyatomic interferences. It extends the study of polyatomic ions in LA-ICP-MS to metal argide (MAr+) species, an additional source of possible significant interferences in the spectrum. It describes the application of fs-LA-ICP-MS to the determination of uranium isotope ratios in particulate samples.
Date: November 30, 2011
Creator: Witte, Travis
Partner: UNT Libraries Government Documents Department

Modifying the organic/electrode interface in Organic Solar Cells (OSCs) and improving the efficiency of solution-processed phosphorescent Organic Light-Emitting Diodes (OLEDs)

Description: Organic semiconductors devices, such as, organic solar cells (OSCs), organic light-emitting diodes (OLEDs) and organic field-effect transistors (OFETs) have drawn increasing interest in recent decades. As organic materials are flexible, light weight, and potentially low-cost, organic semiconductor devices are considered to be an alternative to their inorganic counterparts. This dissertation will focus mainly on OSCs and OLEDs. As a clean and renewable energy source, the development of OSCs is very promising. Cells with 9.2% power conversion efficiency (PCE) were reported this year, compared to < 8% two years ago. OSCs belong to the so-called third generation solar cells and are still under development. While OLEDs are a more mature and better studied field, with commercial products already launched in the market, there are still several key issues: (1) the cost of OSCs/OLEDs is still high, largely due to the costly manufacturing processes; (2) the efficiency of OSCs/OLEDs needs to be improved; (3) the lifetime of OSCs/OLEDs is not sufficient compared to their inorganic counterparts; (4) the physics models of the behavior of the devices are not satisfactory. All these limitations invoke the demand for new organic materials, improved device architectures, low-cost fabrication methods, and better understanding of device physics. For OSCs, we attempted to improve the PCE by modifying the interlayer between active layer/metal. We found that ethylene glycol (EG) treated poly(3,4-ethylenedioxythiophene): polystyrenesulfonate (PEDOT: PSS) improves hole collection at the metal/polymer interface, furthermore it also affects the growth of the poly(3- hexylthiophene) (P3HT):phenyl-C61-butyric acid methyl ester (PCBM) blends, making the phase segregation more favorable for charge collection. We then studied organic/inorganic tandem cells. We also investigated the effect of a thin LiF layer on the hole-collection of copper phthalocyanine (CuPc)/C70-based small molecular OSCs. A thin LiF layer serves typically as the electron injection layer in OLEDs and electron collection interlayer ...
Date: April 27, 2012
Creator: Xiao, Teng
Partner: UNT Libraries Government Documents Department

Probing Novel Properties of Nucleons and Nuclei via Parity Violating Electron Scattering

Description: This thesis reports on two experiments conducted by the HAPPEx (Hall A Proton Parity Experiment) collaboration at the Thomas Je#11;erson National Accelerator Facil- ity. For both, the weak neutral current interaction (WNC, mediated by the Z{sup 0} boson) is used to probe novel properties of hadronic targets. The WNC interaction amplitude is extracted by measuring the parity-violating asymmetry in the elastic scattering of longitudinally polarized electrons o#11; unpolarized target hadrons. HAPPEx-III, con- ducted in the Fall of 2009, used a liquid hydrogen target at a momentum transfer of Q{sup 2} = 0.62 GeV{sup 2}. The measured asymmetry was used to set new constraints on the contribution of strange quark form factors (G{sup s}{sub E,M} ) to the nucleon electromagnetic form factors. A value of A{sub PV} = -23.803{+-}#6; 0.778 (stat){+-}#6; 0.359 (syst) ppm resulted in G{sup s}{sub E} + 0:517G{sup s}{sub M} = 0.003{+-} 0.010 (stat){+-} #6;0.004 (syst){+-}#6; #6;0.009 (FF). PREx, conducted in the Spring of 2010, used a polarized electron beam on a 208Pb target at a momentum transfer of Q{sup 2} = 0.009 GeV{sup 2}. This parity-violating asymmetry can be used to obtain a clean measurement of the root-mean-square radius of the neutrons in the {sup 208}Pb nucleus. The Z{sup 0} boson couples mainly to neutrons; the neutron weak charge is much larger than that of the proton. The value of this asymmetry is at the sub-ppm level and has a projected experimental fractional precision of 3%. We will describe the accelerator setup used to set controls on helicity-correlated beam asymmetries and the analysis methods for #12;nding the raw asymmetry for HAPPEx-III. We will also discuss in some detail the preparations to meet the ex- perimental challenges associated with measuring such a small asymmetry with the degree of precision required for PREx.
Date: May 31, 2012
Creator: Mercado, Luis
Partner: UNT Libraries Government Documents Department