Engineering Commons^™

Modified Broyden’S Method For Accelerating Convergence In Self-Consistent Calculations, Duane D. Johnson

Duane D. Johnson

A modification to Broyden’s method for obtaining stable and computationally efficient convergence in self-consistent calculations is developed and discussed. The method incorporates the advantages of two schemes proposed by Srivastava and by Vanderbilt and Louie without any increase in complexity. Its improvement over their methods is discussed. The present method is compared with two other widely used convergence methods, simple mixing and Anderson’s method, for the case of the disordered binary alloy Ni0.35Fe0.65 on the verge of a magnetic instability and is shown to be much improved in stability and rate of convergence.

Glass Microspheres, D. E. Day, Gary J. Ehrhardt

Materials Science and Engineering Faculty Research & Creative Works

A radioactive microsphere for radiation therapy of a mammal comprising a biologically compatible glass material containing a beta or gamma emitting radioisotope distributed substantially uniformly throughout the glass. Advantageously, the radioisotope is produced by irradiation of the microsphere.

Equation Of State Of Dense Helium, Richard Alan Lesar

Richard Alan Lesar

Comparison between pressure-volume relations in helium at high pressures indicates that theoretical calculations based on gas-phase pair potentials are not adequate to explain recent x-ray experiments. Regardless of what potential is used, the gas-phase potentials give an equation of state that is much too stiff. It is shown that if the changes in the atomic wave functions induced by the high-pressure crystal environment are taken into account, then agreement between experimental and theoretical pressure-volume curves is greatly improved.

Slip, Twinning, And Fracture At A Grain Boundary In The L12 Ordered Structure—Aς = 9 Tilt Boundary, Alexander H. King, M. H. Yoo

Alexander H. King

The role of interaction between slip dislocations and a Σ = 9 tilt boundary in localized microplastic deformation, cleavage, or intergranular fracture in the Li2 ordered structure has been analyzed by using the anisotropic elasticity theory of dislocations and fracture. Screw superpartials cross slip easily at the boundary onto the (1$\overline 1$1) and the (001) planes at low and high temperatures, respectively. Transmission of primary slip dislocations onto the conjugate slip system occurs with a certain degree of difficulty, which is eased by localized disordering. When the transmission is impeded, cleavage fracture on the ($\overline 1$11) plane is predicted to …

Anomalous Temperature Dependence Of The Electric Field Gradient At The Y Site In In₀.₁Y₀.₉Ba₂Cu₃O9- Δ, Gary L. Catchen, Michael Blaszkiewicz, Anthony Baratta, Wayne Huebner

Materials Science and Engineering Faculty Research & Creative Works

Perturbed angular correlation (PAC) spectroscopy has been used to measure a well-defined static electric quadrupole interaction in a superconducting ceramic, In_0.1Y_0.9Ba₂Cu₃O_9-δ. Perturbation functions, Fourier transforms, and the derived PAC parameters are given for data taken at temperatures ranging from 77 to 1070 K. Indirect evidence is presented for the occupation of the Y site by the ¹¹¹In-¹¹¹Cd PAC probe. The derived electric field gradients were found to increase linearly with temperature. This result suggests the presence of soft, anisotropic vibrations in the structure. Additional evidence is presented …

30th Rocky Mountain Conference

Rocky Mountain Conference on Magnetic Resonance

Program and abstracts from the 30th annual meeting of the Rocky Mountain Conference, co-sponsored by the Rocky Mountain Section of the Society for Applied Spectroscopy and the Rocky Mountain Chromatography Discussion Group. Held in Denver, Colorado, July 31 - August 5, 1988.

Reactions Of Diketones With Phosphorous Ylides, Amal Mohamed Lakany

Archived Theses and Dissertations

No abstract provided.

The Relationship Of Pore Volume And Pore Size Distribution To The Development Of Gloss And Scattering Coefficient, John A. Cook

Masters Theses

This study describes in a quantitative manner the relationships between coating structure and optical properties. Gloss, scattering coefficient and void volume were measured after applying different blends of polystyrene spheres to mylar film. Each coating was modeled using large spherical particles of the same size ratios to measure pore size distribution. The coating structure followed well with theoretical packing characteristics of spheres. Optical properties were related to changes in coating structure. Scattering coefficient and gloss correlated better with pore size distribution than particle size. Gloss increased when total void volume was reduced, while the scattering coefficient decreased.

New High-Pressure Phases Of Ice, Pierfranco Demontis, Richard Alan Lesar, Michael L. Klein

Richard Alan Lesar

An ionic model has been used in conjunction with classical constant-pressure molecular-dynamics calculations to explore the properties of possible high-pressure phases of ice. Around 100 GPa, the model is found to convert from the symmetric hydrogen-bonded cuprite structure (ice X) to a fully ordered antifluorite structure. On heating, the new phase, ice XI, becomes a fast-ion proton conductor.

Character Of The Α-Β Phase Transition In Solid Oxygen, Richard Alan Lesar, R. D. Etters

Richard Alan Lesar

Properties of the α and β phases of solid O2 are calculated with a deformable-cell Monte Carlo method and the character of the associated phase transition is delineated. We find that the monoclinic α phase is stable at temperatures T≲18 K and in- and out-of-plane antiferromagnetic order is predicted that is in accord with experiment. The magnetic correlations appear to be long ranged. A phase transition into β-O2 occurs at T=17.75±0.2 K. It is first order with a calculated volume change ΔV=0.06±0.10 cm3/mole, and is accompanied by a magnetic transition into a highly dynamic quasihelical state with a correlation length …

Structural Characterization Of A High-Temperature, Ionic Conducting Ceramic Using Perturbed Angular Correlation Spectroscopy, Gary L. Catchen, Michael Blaszkiewicz, Khalid Jamil, Dinesh K. Agrawal, Wayne Huebner, Herbert A. Mckinstry, Lorenz H. Menke Jr.

Materials Science and Engineering Faculty Research & Creative Works

Perturbed angular correlation (PAC) spectroscopy has been used to characterize several structural aspects of a high-temperature, ionic conducting ceramic, CaZr3.95Hf0.05P6O24. Hafnium was introduced into the material to provide the PAC probe nuclei, 181Hf/181Ta, which were located primarily at Zr sites. PAC measurements were made over a range of temperatures from 77 to 1180 K, and they have been analyzed and interpreted using several simple models. The distorted octahedral crystal field at the Zr site produced a (low-frequency) static electric quadrupole interaction which can be accurately described by the point-charge model. But, the temperature dependence of the associated electric field gradient …

Premartensitic Anelasticity In Indium-Thallium Alloys., Manfred Wuttig, C. Y. Lei, Tetsuro Suzuki

Materials Science and Engineering Faculty Research & Creative Works

The linear and nonlinear low frequency internal friction of In-24 at. pct Tl displays a Curie-Weiss type behavior in the temperature range above the transformation temperature. The critical temperature equals the martensite start temperature. It is proposed that the origin of the observed internal friction is the diffusion-controlled interaction of substitutional atoms with the premartensitic strain modulation, tweed.

Effects Of Chemical And Magnetic Disorder In Fe0.50mn0.50, Duane D. Johnson, F. J. Pinski, G. M. Stocks

Duane D. Johnson

We present the results of first‐principles calculations of the total energy and spin‐polarized electronic structure of disordered fcc Fe0.50Mn0.50. These self‐consistent calculations were performed using the Korringa–Kohn–Rostoker method and the coherent‐potential approximation (KKR‐CPA), using the local‐spin‐density approximation to treat exchange and correlation. We use a lattice constant of a=6.80 a.u.; information about stability can be inferred from calculated pressure and energy. The moments on the Fe and Mn sites are large but antiparallel to each other, resulting in a small net magnetization. A comparison of the electronic structure is made for fcc Fe, Mn, and FeMn in both the ferromagnetic …

Theoretical Study Of The Hyperfine Fields Of Ni And Fe In Fcc Ni,Fe, Alloys, H. Ebert, H. Winter, B. L. Gyorffy, Duane D. Johnson, F. J. Pinski

Duane D. Johnson

Using charge self-consistent cluster Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) band-structure calculations, the authors have studied the hyperfine fields on both Ni and Fe sites in the NixFe1-x alloys. To elucidate the influence of relativistic effects the hyperfine matrix elements have been calculated nonrelativistically as well as completely relativistically The dependence of the hyperfine fields on the environment of a given site has been studied by performing calculations for various atomic configurations around that site. The results of the work are compared with other theoretical data and with experiment.

Thermodynamic Properties And Equation Of State Of Dense Fluid Nitrogen, J. Belak, R. D. Etters, Richard Alan Lesar

Richard Alan Lesar

Results of constant‐pressure Monte Carlo calculations on dense fluid nitrogen over a pressure range of 2 to 300 kbar and a temperature range of 300–3000 K are presented. From analytic fits to the calculated volumes, enthalpies and vibrational frequency shifts, a comprehensive set of thermodynamic quantities is derived, including: thermal expansivity, compressibility, specific heat, Grüneisen parameter, and speed of sound. Comparison of the theoretical results to experiment at room temperature shows very good agreement (within 0.3% in volume and 1% in speed of sound, for instance). Good agreement is also obtained with earlier simulation data. In agreement with experimental studies …

Glass Formation And Properties In The Sm₂O₃·Al₂O₃·Sio₂ System, Erik M. Erbe

Masters Theses

"The purpose of this investigation was to develop a samarium containing aluminosilicate glass with properties suitable for use in the treatment of rheumatoid arthritis. Microspheres made from these compositions would be neutron activated to produce radioactive Sm-153 which has beta-particle energies suitable for treating rheumatoid arthritis as well as appropriate gamma-ray emission for nuclear imaging. The properties of Sm₂O₃ · AI₂O₃ · SiO₂ glasses containing 10 to 25 mole% Sm₂O₃ were evaluated as a function of composition. The density, refractive index, thermal expansion coefficient, and microhardness increased with increasing Sm …

Sealing Glasses For Titanium And Titanium Alloys, Richard K. Brow, R. D. Watkins

Materials Science and Engineering Faculty Research & Creative Works

Glass compositions containing calcium oxide, alumina, boric oxide, strontium oxide and barium oxide in various mole % combinations were studied. These compositions are capable of forming stable glass to metal seals with titanium and titanium alloys for use as seals for battery headers.

Ion Exchange Properties Of Titania Gels Prepared From Titanous Chloride And Amonium Carbonate, Nahed Latif Yacoub

Archived Theses and Dissertations

No abstract provided.

The Effect Of Phosphate Additives On Alumina, Alumina-Calcia, Alumina-Silica Refractory Castable Systems, Sukendro Widjaja

Masters Theses

The effects of the addition of phosphate chemicals to Al₂O₃, Al₂O₃-CaO, and Al₂O₃-SiO₂ systems have been studied concentrating on selected dry and fired properties. The various refractories evaluated were formulated from all alumina aggregate systems based on 1) a mix of tabular and calcined fine aluminas, 2) a combination of calcium aluminate cement bonded-tabular and calcined fine aluminas, and 3) an alumina aggregate-silica fume mixture. Specimens were vibration-cast, dried at 110°C and fired at 1450°C. It was found that each system has different property responses to different …

Processing And Characterization Of Ceramic Fiber Reinforced Porous Matrix Composites, Wen-Chiang Tu

Masters Theses

"The development of ceramic fiber reinforced ceramic matrix composites has been shown to be a promising approach for high toughness ceramic materials. The purpose of this work was to develop a new ceramic matrix composite(CMC) system based on a porous mullitic matrix reinforced with ceramic fibers. Unidirectional alligned fiber reinforced mullitic matrix composites were fabricated by a filament winding process. Prepregs were laminated and thermal processed in air. SEM fractographs of the composites were characterized and related to the observed load-deflection behaviors under 3-point flexure. The fracture surface expositions changed from extensive fiber tear-out to limited fiber pull-out as the …

Reductive Stripping Of Iron(Iii) From Di(2-Ethylhexyl) Phosphoric Acid, Byron G. Belew

Masters Theses

"Unwanted impurities, present in raw materials, are often coextracted along with desired constituents during leaching. If left unchecked, impurity levels may increase in hydrometallurgical process streams until their presence has deleterious effects upon subsequent unit processes. Due to its abundance and ease of extraction, the presence of ferric iron in solvent extraction circuits has always been a problem. The technique proposed herein constitutes a novel approach to remove iron from zinc hydrometallurgical circuits; but the principles employed may find a variety of applications.

This research investigated the reduction and stripping of ferric iron from di(2-ethylhexyl) phosphoric acid into a …

An Analysis Of The Abaca Natural Fiber In Reinforcing Concrete Composites As A Construction Material In Developing Countries, Rolando V. Magdamo

Dissertations and Theses @ UNI

This study was undertaken to analyze the flexural and splitting tensile strengths and the ductility of abaca fiber-reinforced concrete composites. Abaca fibers are natural fibers of vegetable origin prepared from the abaca plant which is a native plant of the Philippine Islands. The purpose of the study was to investigate how various volume-fractions of the abaca fiber in the concrete mix could affect the mechanical properties of the concrete matrix.

A concrete design mix containing a volume ratio of 1.0 part Type I Portland...cernent and 3.0 parts sand was utilized in the preparation of laboratory test samples. Abaca fibers were …

Sessile Drop Studies Of Aluminum On Sapphire, Ke Wen K. Li

Masters Theses

A sessile drop technique employing a drop placement method has been used to investigate the wetting behavior and interfacial phenomena between aluminum and single crystal α-alumina. Measurements were made under a flowing mixture of H₂ and He atomsphere from 1200°C to 1600°C. Acute contact angles decreased continuously in all cases during the 8-hour experimental time. Neither the oxygen partial pressure of the flowing gas nor the orientation of the single crystal alumina substrate affected the contact angles, but the shapes of crystals grown at the substrate-metal interfaces were dependent on the orientation of the substrate surface to some extent. …

Fabrication And Mechanical Property Analysis Of A Transparent, Glass Fiber Reinforced Polymer Matrix Composite, James R. Olson

Masters Theses

"A "transparent” composite was produced by reinforcing poly(methyl methacrylate) (PMMA) with unidirectional borosilicate glass fibers. Composites with 40 volume percent fiber had a modulus of rupture of 600 MPa which is six times greater than that of pure PMMA. Young's modulus for the same composite was 18 MPA which is nine times greater than the 2 MPa measured for pure PMMA. Work of fracture was 110 kJ/m² or more than double the 45 kJ/m² required to fracture pure PMMA. The optical transmission of the composite with 30 volume percent fiber was approximately 40 percent through a 10 mm …

The Effect Of Additives On Properties Of Pfn-Pfw Dielectric Materials, Weih-Min Liao

Masters Theses

"The purpose of this study was to investigate the effect of processing and additives on the properties of the Pb(Fe_1/2Nb_1/2)O₃-PB(Fe_2/3W_1/3)O₃ solid solutions. The basic composition was 70 m% Pb(Fe_1/2Nb_1/2)O₃ and 30 m% Pb(Fe_2/3W_1/3)O₃. The additives used were MnO, PbO and ZnNbO₆. Pressed compacts were sintered over the temperature range 900'C to 1050°C for 1 to 5 hours.

The influence of processing and composition on the properties was determined by measurement of density, shrinkage, dielectric constant, dissipation factor and …

Effects Of 0.5 Weight Percent Boron On Cobalt Aluminide, Kevin Thomas Slattery

Masters Theses

"A study was made on the effects of adding 0.5 weight percent boron to the ordered intermetallic Cobalt Aluninide. Thirty gram (30g) specimens were induction melted in an pure argon atmosphere and cast into a copper alloy bar mold. The addition of boron raised the modulus of rupture from 30.1 to 44.3 ksi; increased the Knoop microhardness from 543 to 693; reduced the average grain size from 190 to 70 microns; and gave a more equiaxed grain structure. X-ray diffraction detected the presence of a second phase, AlB , 12 in the material containing boron. Scanning electron micro-scopy revealed that …

Influence Of Prior Deformation On Structure And Properties Of Heat Treated Aluminum Casting Alloy, Chungwei Hsia

Masters Theses

"A1 356 alloy is extensively used for a wide variety of casting applications. The structure is composed of primary dendrites and eutectic silicon formed during the eutectic reaction. It has long been recognized that the shape of the eutectic silicon significantly affects the ductility of the alloy. Traditionally, the morphology of the silicon is changed by certain chemical and/or thermal processes to improve the ductility. Mechanically deforming the castings to "modify" the shape of silicon has been shown by this research to be an effective alternative method to improve the spheroidization rate of eutectic silicon during heat treatment. The best …

Microstructural Analysis In Processing Of The High‐Tc Superconductor Ba2ycu3o7‐X In Air, Jyoti P. Guha

Materials Science and Engineering Faculty Research & Creative Works

In the synthesis of the superconducting compound Ba₂YCu₃O_7‐x from a stoichiometric mixture containing BaCO₃, Y₂O₃, and CuO In air, a low‐melting liquid phase is formed at about 890°C. The liquid phase was identified as a ternary eutectic located within the compatibility triangle Ba₂YCu₃O_7‐x–BaCuO₂–CuO. The implication of this finding for the processing of Ba₂YCu₃O_7‐x is discussed. Copyright © 1988, Wiley Blackwell. All rights reserved.

Comments On A Paper By No, Esnouf, San Juan, And Fontozzi, Hollis P. Leighly

Materials Science and Engineering Faculty Research & Creative Works

No abstract provided.

South East Missouri Lead Belt - A Review 1987, Johh L. Watson

Materials Science and Engineering Faculty Research & Creative Works

The south-east Missouri Lead Belt is, and has been for many years, a major world producer of lead concentrate. This paper reviews the current mill operations in the area and presents detailed information on equipment, operating parameters and metallurgical performance. © 1988.