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Molecular Dynamics Simulations Of Metals, Bohumir Jelinek

Theses and Dissertations

This dissertation describes the development and testing of modified embedded atom method (MEAM) interatomic potentials for Al, Si, Mg, Cu, Fe, and their alloys, with primary concentration on Mg-Al system. We performed the density functional theory (DFT) based ab initio calculations to determine the structural and elastic properties of element pairs that are impractical to obtain from experimental measurements. Specifically, we estimated the cohesive energy, equilibrium atomic volume, bulk modulus, and elastic moduli of every element pair in the NaCl reference structure. Based on the results of DFT calculations, MEAM parameters for each element pair were constructed. We extensively tested …

Multidimensional Modeling Of Solid Propellant Burning Rates And Aluminum Agglomeration And One-Dimensional Modeling Of Rdx/Gap And Ap/Htpb, Matthew Wilder Tanner

Theses and Dissertations

This document details original numerical studies performed by the author pertaining to solid propellant combustion. Detailed kinetic mechanisms have been utilized to model the combustion of the pseudo-propellants RDX/GAP and AP/HTPB. A particle packing model and a diffusion flame model have been utilized to develop a burning rate and an aluminum agglomeration model. The numerical model for RDX/GAP combustion utilizes a "universal" gas-phase kinetic mechanism previously applied to combustion models of several monopropellants and pseudo-propellants. The kinetic mechanism consists of 83 species and 530 reactions. Numerical results using this mechanism provide excellent agreement with RDX and GAP burning rate data, …

Aluminum Bioavailability From Tea Infusion, Robert A. Yokel, Rebecca L. Florence

Pharmaceutical Sciences Faculty Publications

The objective was to estimate oral Al bioavailability from tea infusion in the rat, using the tracer ²⁶Al. ²⁶Al citrate was injected into tea leaves. An infusion was prepared from the dried leaves and given intra-gastrically to rats which received concurrent intravenous ²⁷Al infusion. Oral Al bioavailability (F) was calculated from the area under the ²⁶Al, compared to ²⁷Al, serum concentration × time curves. Bioavailability from tea averaged 0.37%; not significantly different from water (F = 0.3%), or basic sodium aluminum phosphate (SALP) in cheese (F = 0.1 to 0.3%), but greater than acidic SALP …

Comparison Of The Fuel Needed To Transport Plastic Recyclables Verses Aluminum Recyclables From Yellowstone National Park, Melissa Dejonge

Department of Environmental Studies: Undergraduate Student Theses

Research has provided no definitive answers on whether PET plastic bottles or aluminum cans are a more environmentally sustainable choice as soda containers. This paper researches the fuel used in recycling each of these materials from Yellowstone National Park to processing locations. The data is used to determine which of these alternatives use less fuel in this process. It was found that plastics use more fuel when transported from Yellowstone National Park to the processing center. Aluminum uses less fuel per ton to transport from Yellowstone to the processing center. The conclusions from this research may have implications on which …

Abiotic Controls On The Tropic Status Of Oligotrophic Water, Stephen A. Norton

University of Maine Office of Research Administration: Grant Reports

This research will investigate how the elements aluminum (Al) and phosphorus (P), both originally from soil, interact in water moving through soil pores to downstream lakes in ways that prevent P from being biologically available to algae in surface waters. This causes oligotrophic conditions (i.e., water with very low nutrient concentrations). Solid aluminum hydroxide will adsorb and can permanently capture P from the water if the acidity is low. Changes in the acidity of surface waters from "acid rain", climate change, or other factors should induce changes in the interaction between Al and P, and thus changes in the biological …

Surface Pre-Treatments And Fabrication Of Highly Ordered Anodic Aluminum Oxide Nanopores At Room Temperature, Sampath Chennuri

Electrical & Computer Engineering Theses & Dissertations

The object of this work is to develop a novel approach to fabricate model membranes of well-defined and well aligned nanostructured materials in a robust environment. The main focus is on electrochemical synthesis, involving anodic oxidation of high purity aluminum sheets to form porous oxide films. Alumina films were prepared by anodizing highly pure aluminum (99.999%) in acidic electrolytes. Anodization parameters (current density, temperature, applied voltage, anodization time and electrolyte concentration) were selected with respect to the electrolyte used.

The primary challenge in nanotechnology is the creation of nanometer-scaled objects with as narrow a size distribution as possible for a …

Reduction Of Toxicity In The Premature Neonate Addociated With Aluminum As A Contaminant Of Total Parenteral Nutrition Solution, Sujittra Srisung

Dissertations

Aluminum (Al) is the third most common element in the Earth?s crust. It is widely consumed in water, foods, and drugs. However, in humans, the uptake of aluminum into the body and its deposition in tissues has been linked to conditions of medical concern, including many neurological disorders such as dialysis dementia, Alzheimer?s disease, Parkinson?s dementia and Down?s syndrome. Premature neonates who receive intravenous feeding (TPN) are at a high risk for Al toxicity because the TPN solutions are contaminated with Al3+, which is not excreted effectively due to poor kidney development in these patients. The FDA has recommended regulations …

Phonon Density Of States Of Iron Solid Solutions At Ambient And High Pressures Using Nuclear Inelastic X-Ray Scattering (Nrixs), Samantha L. Combs, Elizabeth A. Tanis, Malcolm Nicol

Undergraduate Research Opportunities Program (UROP)

Nuclear resonant inelastic x-ray scattering (NRIXS) of synchrotron radiation uses the energy transferred during the inelastic nuclear absorption of photons to determine phonon density of states for solid Mössbauer isotopes. This type of experiment can be conducted at ambient and high pressures with the use of a diamond anvil cell (DAC) and a rhenium gasket. Here, we are concerned with the phonon DOS of α-FePt 10% at pressures up to 30 GPa, as well as FeAl 4.3%, 6.4%, and 27.1% at ambient pressures. The iron samples used are doped in order to increase the pressure at which the alpha to …

Microstructural Characterization Of Diode Laser Deposited Ti-6al-4v, Tian Fu, Zhiqiang Fan, Syamala R. Pulugurtha, Todd E. Sparks, Jianzhong Ruan, Frank W. Liou, Joseph William Newkirk

Mechanical and Aerospace Engineering Faculty Research & Creative Works

Laser Direct Metal Deposition (DMD) is an effective approach to manufacturing or repairing a range of metal components. The process is a layer-by-layer approach to building up a three dimensional solid object. The microstructure influences mechanical properties of the deposited parts. Thus, it is important to understand the microstructural features of diode laser deposited parts. This paper presents a microstructure analysis of a diode laser deposited Ti-6Al-4V onto a Ti-6Al-4V substrate. laser deposited parts. This paper presents a microstructure analysis of a diode laser deposited Ti-6Al-4V onto a Ti-6Al-4V substrate.

Aluminum Bioavailability From Basic Sodium Aluminum Phosphate, An Approved Food Additive Emulsifying Agent, Incorporated In Cheese, Robert A. Yokel, Clair L. Hicks, Rebecca L. Florence

Pharmaceutical Sciences Faculty Publications

Oral aluminum (Al) bioavailability from drinking water has been previously estimated, but there is little information on Al bioavailability from foods. It was suggested that oral Al bioavailability from drinking water is much greater than from foods. The objective was to further test this hypothesis. Oral Al bioavailability was determined in the rat from basic [26Al]-sodium aluminum phosphate (basic SALP) in a process cheese. Consumption of approximately 1g cheese containing 1.5% or 3% basic SALP resulted in oral Al bioavailability (F) of approximately 0.1% and 0.3%, respectively, and time to maximum serum 26Al concentration (Tmax) of 8-9h. These Al bioavailability …

Powder Rolling Of Cnt-Reinforced Aluminum Strips, Mostafa Abdel-Fattah El-Borady

Archived Theses and Dissertations

Multi walled carbon nanotubes (MWCNT) were added to aluminum powder (99.97% pure) to produce a composite material. Three mixing techniques were examined

1 Low energy mixing: Using a Turbula mixer with two different speeds 48 and 67 rpm.

2 High energy mixing: Using a ball mill without adding any balls in the mixing jars with two speeds 300 and 400 rpm.

3 Ball milling: Using the ball mill (with steel balls) to mix higher CNT weight fraction samples for the electrical resistivity tests.

The mixtures were packed in copper cans and rolled in a rolling machine to compact the mixture; …

The Influence Of Citrate, Maltolate And Fluoride On The Gastrointestinal Absorption Of Aluminum At A Drinking Water-Relevant Concentration: A 26Al And 14C Study, Yuzhao Zhou, Wesley R. Harris, Robert A. Yokel

Pharmaceutical Sciences Faculty Publications

The objectives were to test the null hypotheses that (1) citrate, maltolate, and fluoride do not significantly influence oral Al bioavailability, C_max or T_max at an Al dose relevant to drinking water exposure; and (2) Al citrate and maltolate are absorbed intact from the gastrointestinal tract. Male Fisher rats were given 1 ml of solution intra-gastrically containing 1 nCi ²⁶Al (65 nmol total Al) as the Al³⁺ ion, or as complexes with ¹⁴C-citrate, ¹⁴C-maltolate or fluoride, during concurrent ²⁷Al iv infusion. Blood was repeatedly collected for serum ²⁶Al, total Al and ^{14 …}

Aluminum. History & Metallurgy, Fathi Habashi

Fathi Habashi

Combinatorial Investigation Of Magnetostriction In Fe-Fa And Fe-Ga-Al, Jason R. Hattrick-Simpers, Dwight Hunter, Corneliu M. Craciunescu, Kyu Sung Jang, Makoto Murakami, James Cullen, Manfred Wuttig, Ichiro Takeuchi, Samuel E. Lofland, Leonid Bendersky, Noble Woo, Robert Bruce Vandover, Toshiya Takahashi, Yasubumi Furuya

Faculty Publications

A high-throughput high-sensitivity optical technique for measuringmagnetostriction of thin-film composition-spread samples has been developed. It determines the magnetostriction by measuring the induced deflection of micromachined cantilever unimorph samples. Magnetostrictionmeasurements have been performed on as-deposited Fe–Ga and Fe–Ga–Al thin-film composition spreads. The thin-film Fe–Ga spreads display a similar compositional variation of magnetostriction as bulk. A previously undiscovered peak in magnetostriction at low Ga content was also observed and attributed to a maximum in the magnetocrystalline anisotropy. Magnetostrictive mapping of the Fe–Ga–Al ternary system reveals the possibility of substituting up to 8at.%Al in Fe₇₀Ga₃₀ without significant degradation of magnetostriction.