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Analysis And Interpretation Of Diffraction Data From Complex, Anisotropic Materials, Goknur Tutuncu 2010 Iowa State University

Analysis And Interpretation Of Diffraction Data From Complex, Anisotropic Materials, Goknur Tutuncu

Graduate Theses and Dissertations

Most materials are elastically anisotropic and exhibit additional anisotropy beyond elastic deformation. For instance, in ferroelectric materials the main inelastic deformation mode is via domains, which are highly anisotropic crystallographic features. To quantify this anisotropy of ferroelectrics, advanced X-ray and neutron diffraction methods were employed. Extensive sets of data were collected from tetragonal BaTiO3, PZT and other ferroelectric ceramics. Data analysis was challenging due to the complex constitutive behavior of these materials. To quantify the elastic strain and texture evolution in ferroelectrics under loading, a number of data analysis techniques such as the single peak and Rietveld methods were used ...


Polymer/Mesoporous Metal Oxide Composites, Melissa Ann Ver Meer 2010 Iowa State University

Polymer/Mesoporous Metal Oxide Composites, Melissa Ann Ver Meer

Graduate Theses and Dissertations

Understanding the nature of the interfacial region between an organic polymer matrix and an inorganic filler component is essential in determining how this region impacts the overall bulk properties of the organic/inorganic hybrid composite material. In this work, polystyrene was used as the model polymer matrix coupled with silica-based filler materials to investigate the nature of structure-property relationships in polymer composites.

Initial work was conducted on synthesis and characterization of colloidal and mesoporous silica particles melt blended into the polystyrene matrix. Modification of the interface was accomplished by chemically bonding the silica particles with the polystyrene chains through polymerization ...


Dislocation Dynamics Simulations Of Plasticity At Small Scales, Caizhi Zhou 2010 Iowa State University

Dislocation Dynamics Simulations Of Plasticity At Small Scales, Caizhi Zhou

Graduate Theses and Dissertations

As metallic structures and devices are being created on a dimension comparable to the length scales of the underlying dislocation microstructures, the mechanical properties of them change drastically. Since such small structures are increasingly common in modern technologies, there is an emergent need to understand the critical roles of elasticity, plasticity, and fracture in small structures. Dislocation dynamics (DD) simulations, in which the dislocations are the simulated entities, offer a way to extend length scales beyond those of atomistic simulations and the results from DD simulations can be directly compared with the micromechanical tests.

The primary objective of this research ...


Comparison Of Radiation Sources And Filtering Safety Glasses For Fluorescent Nondestructive Evaluation, Richard Daniel Lopez 2010 Iowa State University

Comparison Of Radiation Sources And Filtering Safety Glasses For Fluorescent Nondestructive Evaluation, Richard Daniel Lopez

Graduate Theses and Dissertations

This study was directed toward the question of whether recent advancements in radiation sources and test media offered significant improvements over the current state of the art. Included were experiments characterizing common penetrant and magnetic particle materials to determine their fluorescent excitation spectra, and a comparison between the fluorescent excitation spectra and the emission spectra of common excitation sources. The relationship between exciter and test medium directly controls the luminance of a defect indication. As indication luminance increases, the probability of it being detected by the inspector increases.

Fluorescent penetrant and magnetic particle test media were originally designed around the ...


The Yield Strength And Flow Stress Anomaly In B2 Yttrium Copper, Andrew Todd Becker 2010 Iowa State University

The Yield Strength And Flow Stress Anomaly In B2 Yttrium Copper, Andrew Todd Becker

Graduate Theses and Dissertations

The apparent yield strength anomaly in the B2 YCu intermetallic compound is shown not to be a yield point anomaly at all, but rather a phenomenon resulting from the work hardening behavior in YCu, which was found to rise with rising temperature and to drop with increases in strain rate. This effect is shown to occur over temperature ranges where YCu has negative strain rate sensitivity, result in dynamic strain ageing behavior, and the effect is shown to be irreversible when the testing temperature is changed. Neutron diffraction experiments utilizing SMARTS and HIPPO show the evolution of texture and the ...


Galvanic Porous Silicon: Processing And Characterization For Nanoenergetics, Collin R. Becker 2010 University of Colorado at Boulder

Galvanic Porous Silicon: Processing And Characterization For Nanoenergetics, Collin R. Becker

Mechanical Engineering Graduate Theses & Dissertations

Porous silicon (PS) is a silicon (Si) based material composed of pores with diameters ranging from several nanometers to several micrometers. Typically PS is formed by electrochemically etching a Si wafer in a hydrofluoric acid (HF) based electrolyte. This route requires a custom built etch cell and a power supply and is difficult to integrate with the batch processing techniques of conventional Microsystems fabrication. In the first part of this work, a galvanic etching approach is used to fabricate PS in which neither a power supply nor custom etch cell are required. Galvanic etching methods are developed to fabricate thick ...


Foundry Parameters For Casting High-Aluminum Lightweight Steel In Complex Shapes, Angella Marie Schulte 2010 Missouri University of Science and Technology

Foundry Parameters For Casting High-Aluminum Lightweight Steel In Complex Shapes, Angella Marie Schulte

Masters Theses

"This work investigated the liquid metal treatment and molding practices for Fe- 30wt.%Mn-9wt.%Al-1wt.%Si-0.9wt.%C-0.5wt.%Mo steel. The goal of this research was to determine the process conditions that would produce a tough Fe-Mn-Al-C alloy and the appropriate mold design to produce a defect-free P900 plate.

Notch toughness of age-hardenable Fe-Mn-Al-C alloys decreases as phosphorus increases. Thermodynamic calculations and experimental work show that additions of Ca followed by Ce can be used to mitigate the deleterious effects of phosphorus, and the addition of Ar-stirring can be used to decrease the number of harmful aluminum nitride inclusions ...


Preparation And Characterization Of Pt/Γ-Al2o3 Model Catalyst On Nial Alloy, Zhongfan Zhang, Long Li, Lin-Lin Wang, Sergio I. Sanchez, Ross V. Grieshaber, Qi Wang, Duane D. Johnson, Anatoly I. Frenkel, Ralph G. Nuzzo, Judith C. Yang 2010 University of Pittsburgh

Preparation And Characterization Of Pt/Γ-Al2o3 Model Catalyst On Nial Alloy, Zhongfan Zhang, Long Li, Lin-Lin Wang, Sergio I. Sanchez, Ross V. Grieshaber, Qi Wang, Duane D. Johnson, Anatoly I. Frenkel, Ralph G. Nuzzo, Judith C. Yang

Duane D. Johnson

Numerous studies of heterogeneous catalysis systems clearly demonstrate that the metal nanoparticle (NPs)/support interaction is significant in determining the catalytic chemistry. Theoretical simulations have been performed to understand the metal/support interactions [1,2]. For example, theorists discovered that electronic and oxygen defects of γ-Al2O3 anchor the active particles [1]. Platinum NPs dispersed on γ-alumina is one of the most widely used heterogeneous catalysts and Pt performs extremely well as a catalyst for the oxygen-reduction reaction used in fuel cell industries. Hence, we chose Pt/γ-Al2O3 as a model heterogeneous catalyst system to investigate the metal NPs/support interface ...


Electronic And Magnetic Structure Of (Crcl 3 ) 3, M. Grodzicki, B. Mallick, Anja V. Mudring 2010 Iowa State University

Electronic And Magnetic Structure Of (Crcl 3 ) 3, M. Grodzicki, B. Mallick, Anja V. Mudring

Anja V. Mudring

Electronic structure calculations in the local spin-density approximation have been carried out on the recently synthesized trimer (CrCl 3 ) 3 exhibiting antiferromagnetic ordering below T N =55 K. The calculated magnetic coupling constant, the paramagnetic Curie temperature, and the decrease of the magnetic moment below T N are well reproduced by the calculations. An interpretation of the spin structure is given that is consistent with all experimental data currently available.


Isogeometric Shell Analysis: The Reissner–Mindlin Shell, D. J. Benson, Y. Bazilevs, Ming-Chen Hsu, T.J.R. Hughes 2010 University of California, San Diego

Isogeometric Shell Analysis: The Reissner–Mindlin Shell, D. J. Benson, Y. Bazilevs, Ming-Chen Hsu, T.J.R. Hughes

Ming-Chen Hsu

A Reissner–Mindlin shell formulation based on a degenerated solid is implemented for NURBS-based isogeometric analysis. The performance of the approach is examined on a set of linear elastic and nonlinear elasto-plastic benchmark examples. The analyses were performed with LS-DYNA, an industrial, general-purpose finite element code, for which a user-defined shell element capability was implemented. This new feature, to be reported on in subsequent work, allows for the use of NURBS and other non-standard discretizations in a sophisticated nonlinear analysis framework.


[Ni(Tmen)(Acac)][B(Ph)4] A Probe For The Anion Basicity Of Ionic Liquids, Joanna Bartosik, Anja V. Mudring 2010 Iowa State University

[Ni(Tmen)(Acac)][B(Ph)4] A Probe For The Anion Basicity Of Ionic Liquids, Joanna Bartosik, Anja V. Mudring

Anja V. Mudring

An optical basicity scale of various ionic liquids (IL) anions has been determined by UV-Vis absorption spectroscopy. The indicator complex [Ni(tmen)(acac)][B(Ph)4] (tmen = tetramethylethylendiamine, acac = acetylacetonate) shows to be a sensitive probe as the position of the 3A2g(F) → 3T1g(F) absorption maximum of square planar to octahedral Ni2+ shifts distinctly depending on the electron donor ability of the respective ionic liquid anion. If the Lewis basicity of the anion becomes stronger a change to a tetrahedral coordination around Ni2+ is observed. Here the 3T1(F) → 3T2(F) and 3T1(F) → 3T1(P) transitions are helpful ...


Facile Preparation Of Quantum Cutting Gdf3 : Eu3+ Nanoparticles From Ionic Liquids, Chantal Lorbeer, Joanna Cybinska, Anja V. Mudring 2010 Iowa State University

Facile Preparation Of Quantum Cutting Gdf3 : Eu3+ Nanoparticles From Ionic Liquids, Chantal Lorbeer, Joanna Cybinska, Anja V. Mudring

Anja V. Mudring

Microwave reaction of Ln(OAc)3·xH2O, Ln = Gd, Eu; OAc = acetate) with and in the ionic liquid [C4mim][BF4] (C4mim = 1-butyl-3-methylimidazolium) allows the fast and efficient synthesis of small, uniform, oxygen-free lanthanide nanofluorides with excellent photophysical behaviour. For GdF3 : Eu3+ nanoparticles a quantum efficiency of up to 145% was determined.


On The Dissolution Of Non-Metallic Solid Elements (Sulfur, Selenium, Tellurium And Phosphorus) In Ionic Liquids, Eva Boros, Martyn J. Earle, Manuela A. Gilea, Andreas Metlen, Anja V. Mudring, Franziska Rieger, Allan J. Robertson, Kenneth R. Seddon, Alina A. Tomaszowska, Lev Trusov, Joseph S. Vyle 2010 Iowa State University

On The Dissolution Of Non-Metallic Solid Elements (Sulfur, Selenium, Tellurium And Phosphorus) In Ionic Liquids, Eva Boros, Martyn J. Earle, Manuela A. Gilea, Andreas Metlen, Anja V. Mudring, Franziska Rieger, Allan J. Robertson, Kenneth R. Seddon, Alina A. Tomaszowska, Lev Trusov, Joseph S. Vyle

Anja V. Mudring

Ionic liquids are shown to be good solvents for elemental sulfur, selenium, phosphorus and tellurium, and can be designed to maximise the solubility of these elements. The presence of the [S3]˙− radical anion in diluted solutions of sulfur in some ionic liquids has been confirmed, and is the origin of their intense blue colour (cf. lapis lazuli).


Synthesis And Characterization Of A [Ru(Bpy)2(Ncs)2] Derivative For Use As A Dye-Sensitizer In Nanocrystalline Solar Cells, Joel Thomas Kirner 2010 University of Northern Iowa

Synthesis And Characterization Of A [Ru(Bpy)2(Ncs)2] Derivative For Use As A Dye-Sensitizer In Nanocrystalline Solar Cells, Joel Thomas Kirner

Honors Program Theses

After extensive review of the field of dye-sensitized solar cells, the molecule [Ru(4,4’- dicarboxy-2,2’-bipyridine)(4,4’-di-(2-(2-pyridyl)ethenyl)-2,2’-bipyridine)(NCS)2] has been designed as an original contribution to the field. This dye sensitizer was chosen by derivatizing upon the structure of the standard sensitizer, cis-diisothiocyanatobis(4,4’-dicarboxylic acid-2,2’- bipyridine)ruthenium(II) (N3), by extending the conjugation of one bipyridine ligand. This structural derivatization should enhance light harvesting by red-shifting the dye’s absorbance and increasing the dye’s molar absorptivity, which should result in a dye-sensitized solar cell ...


Interphase Energies Of Hcp Precipitates In Fcc Metals: A Density-Functional Theory Study In Al-Ag, Daniel Finkenstadt, Duane D. Johnson 2010 United States Naval Academy

Interphase Energies Of Hcp Precipitates In Fcc Metals: A Density-Functional Theory Study In Al-Ag, Daniel Finkenstadt, Duane D. Johnson

Duane D. Johnson

Density-functional theory (DFT) calculations of interphase boundary energies relevant to hexagonal-close-packed (hcp) γ-precipitate formation were performed within approximate unit cells that mirror the experimental conditions in face-centered-cubic (fcc) Al-Ag solid solutions. In Al-rich, fcc Al-Ag, γ precipitates are observed to form rapidly with large (300+) aspect ratios even though the Al stacking-fault energy is high (approximately 130 mJ/m2), which should suppress hcp ribbon formation according to standard arguments. Our DFT results show why high-aspect ratio plates occur and why previous estimates based on Wulff construction were orders of magnitude less than observed values. Using DFT, we obtain a Gibbs ...


Optical Basicity Of Ionic Liquids, Slawomir Pitula, Anja V. Mudring 2010 Iowa State University

Optical Basicity Of Ionic Liquids, Slawomir Pitula, Anja V. Mudring

Anja V. Mudring

The concept of optical basicities initially developed by Duffy for solid oxides was successfully transferred to low melting salts such as ionic liquids (ILs). Several ionic liquids (ILs) were doped with Mn(NTf2)2 (NTf2 = bis(trifluoromethanesulfonyl)imide) as a probe to investigate the IL anion basicity by means of UV-Vis spectroscopy. The 6A1 → 4A, 4E(G) transition band of Mn2+ is influenced by the electron donor properties, i.e., Lewis basicity, of the coordinating ligands but remains—to the first order—independent from the ligand field. The change in the optical spectra for various Mn(NTf2)2 doped ILs ...


Communication Prev. Article Next Article Table Of Contents Chains Of Face-Sharing {Zpr6} Octahedra With Alternating Endohedral Iridium Atoms And Chloride Ions In {(Ir,Cl)Pr6}Cl10, Nina Herzmann, Matthias Bruhmann, Anja V. Mudring, Gerd Meyer 2010 Iowa State University

Communication Prev. Article Next Article Table Of Contents Chains Of Face-Sharing {Zpr6} Octahedra With Alternating Endohedral Iridium Atoms And Chloride Ions In {(Ir,Cl)Pr6}Cl10, Nina Herzmann, Matthias Bruhmann, Anja V. Mudring, Gerd Meyer

Anja V. Mudring

The most impressive feature of the crystal structure of IrPr6Cl11 is chains of face-sharing {Pr6} octahedra that encapsulate, alternatingly, iridium atoms and chloride ions, according to the formulation {(Ir,Cl)Pr6}Cl10. An alternative description of the structure is the connection of isolated {IrPr6} clusters that are surrounded in a mixed {ZR6}Xi12/{ZR6}Xi8 type by chlorido ligands with a rather complex connectivity, {IrPr6}(Cli−a−a4/3Cla−i−a8/3Cli−a6/2Cla−i6/2)e(Cli−i2/2)f, to a three-dimensional structure of tetragonally packed cluster-complex chains.


Impedance Spectroscopy Of Batio₃ Cubes Suspended In Lossy Liquids As A Physical Model Of Two-Phase System, Piotr Z. Jasinski, Vladimir Petrovsky, Fatih Dogan 2010 Missouri University of Science and Technology

Impedance Spectroscopy Of Batio₃ Cubes Suspended In Lossy Liquids As A Physical Model Of Two-Phase System, Piotr Z. Jasinski, Vladimir Petrovsky, Fatih Dogan

Materials Science and Engineering Faculty Research & Creative Works

Impedance spectroscopy techniques were used for analysis of the physical model in a two-phase system toward determining of dielectric constant of dielectric particles suspended in liquids at various solids loading (volume fraction) levels. Model experimental studies were conducted using BaTiO3 as a dielectric material that was prepared as small cubes of uniform size (2×2×1 mm). Barium titanate (BT) cubes having a dielectric constant of 3850 were immersed in liquids of low dielectric constant and moderate electrical conductivity. Measured impedance spectra consisted of two semicircles, which were fitted for (R∥C)(R∥C) equivalent circuit. The parameters obtained from ...


Microstructural Effects During Chemical Mechanical Planarization Of Copper, Patrick J. Andersen, Mariela N. Bentancur, Amy J. Moll, Megan Frary 2010 Boise State University

Microstructural Effects During Chemical Mechanical Planarization Of Copper, Patrick J. Andersen, Mariela N. Bentancur, Amy J. Moll, Megan Frary

Materials Science and Engineering Faculty Publications and Presentations

Novel die-stacking schema using through-wafer interconnects require vias to be filled with electroplated Cu, resulting in thick copper films, and requiring an aggressive first-step CMP. This work investigates the effects of microstructure on CMP of copper films, which are not presently well understood. Bulk and local removal rates were investigated for several different microstructures. Surface orientation maps were created and the orientations of individual grains were correlated with topographical data to elucidate local removal behavior. Cu removal depends on the details of the microstructure, and certain microstructures allowed for either faster or more uniform removal of thick Cu films.


Self-Assembly Of Cdte Tetrapods Into Network Monolayers At The Air/Water Interface, Matthew Dave Goodman, Lei Zhao, Karen A. DeRocher, Jun Wang, Surya K. Mallapragada, Zhiqun Lin 2010 Iowa State University

Self-Assembly Of Cdte Tetrapods Into Network Monolayers At The Air/Water Interface, Matthew Dave Goodman, Lei Zhao, Karen A. Derocher, Jun Wang, Surya K. Mallapragada, Zhiqun Lin

Chemical and Biological Engineering Publications

Cadmium telluride (CdTe) tetrapods are synthesized with varying aspect ratios through multiple injections of the Te precursor, which provides an excellent means of controlling and tailoring the optical properties of the tetrapods. The self-assembly of CdTe tetrapods at the air/water interface is explored using the Langmuir-Blodgett (LB) technique due to potential use in solar cells arising from the intriguing tetrapod shape that improves charge transport and the optimum band gap energy of CdTe that enhances light absorption. Interestingly, the Langmuir isotherm shows two pressure plateau regions: one at ∼10 mN/m with the other at the high surface pressure ...


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