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Materials Science and Engineering

2001

Articles 1 - 12 of 12

Full-Text Articles in Physics

Accuracy And Limitations Of Localized Green’S Function Methods For Materials Science Applications, Duane D. Johnson, Andrei V. Smirnov Dec 2001

Accuracy And Limitations Of Localized Green’S Function Methods For Materials Science Applications, Duane D. Johnson, Andrei V. Smirnov

Duane D. Johnson

We compare screened real-space and reciprocal-space implementations of Korringa-Kohn-Rostoker electronic-structure method for their applicability to largescale problems requiring various levels of accuracy. We show that real-space calculations in metals can become impractical to describe energies. We suggest a combined r- and k-space scheme as the most efficient and flexible strategy for accurate energy calculations. Our hybrid code is suitable for (parallel) large-scale calculations involving complex, multicomponent systems. We also discuss how details of numerical procedures can affect accuracy of such calculations.

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Analysis Of Corrosion Of Steel By Lead Bismuth Eutectic, John Farley, Dale L. Perry Nov 2001

Analysis Of Corrosion Of Steel By Lead Bismuth Eutectic, John Farley, Dale L. Perry

Transmutation Sciences Materials (TRP)

We examined stainless samples that were exposed to LBE in experiments conducted by the Russians, under contract to Los Alamos. We examined both corroded and uncorroded samples using the Scanning Electron Microscope (SEM), the Energy Dispersive X-Ray (EDAX) Spectroscopy, and the X-ray Photoelectron Spectrometer (XPS). We found that the surface of the corroded sample is covered by oxygen-containing compounds, presumably mostly iron oxide. In samples exposed for shorter times or lower temperatures, we found that some areas were covered by an oxide layer, and some areas was uncovered. We found that the level of Cr in the uncovered area is …

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Classical Density Functional Theory Of Freezing In Simple Fluids: Numerically Induced False Solutions, M. Valera, F. J. Pinski, Duane D. Johnson Nov 2001

Classical Density Functional Theory Of Freezing In Simple Fluids: Numerically Induced False Solutions, M. Valera, F. J. Pinski, Duane D. Johnson

Duane D. Johnson

Density functional theory (DFT) has provided many insights into the freezing of simple fluids. Several analytical and numerical solution have shown that the DFT provides an accurate description of freezing of hard spheres and their mixtures. Compared to other techniques, numerical, grid-based algorithms for solving the DFT equations have more variational freedom and are capable of describing subtle behavior, as that seen in mixtures with multipeaked density profiles. However the grid-based approach is sensitive to the coarseness of the mesh employed. Here we summarize how the granularity of the mesh affects the freezing point within the DFT. For coarse meshes, …

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Capillary Flow In Interior Corners: The Infinite Column, Mark M. Weislogel Nov 2001

Capillary Flow In Interior Corners: The Infinite Column, Mark M. Weislogel

Mechanical and Materials Engineering Faculty Publications and Presentations

Capillary flow of a sinusoidally perturbed liquid column in an interior corner of infinite extent is solved using lubrication theory. Due primarily to the length scales selected to nondimensionalize the momentum equation, an analytic time scale governing the settling of the perturbation is determined. The time scale, which is shown to be independent of a steady base state flow, proves useful in rapidly predicting transients for surface settling in certain liquid-bearing tanks of spacecraft employing interior corners for fluids management purposes. The asymptotic analysis is extended to address flows along interior corners whose faces are slightly nonplanar. The generalized formulation …

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Analysis Of Corrosion Of Steel By Lead Bismuth Eutectic, John Farley, Dale L. Perry Aug 2001

Analysis Of Corrosion Of Steel By Lead Bismuth Eutectic, John Farley, Dale L. Perry

Transmutation Sciences Materials (TRP)

The goal is to achieve a basic understanding of the corrosion of stainless steel by Lead Bismuth Eutectic (LBE), which has been proposed for use in the transmuter as both a coolant and as a sputtering target.

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43rd Rocky Mountain Conference On Analytical Chemistry Jul 2001

43rd Rocky Mountain Conference On Analytical Chemistry

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 43rd annual meeting of the Rocky Mountain Conference on Analytical Chemistry, co-sponsored by the Colorado Section of the American Chemical Society and the Rocky Mountain Section of the Society for Applied Spectroscopy. Held in Denver, Colorado, July 29 - August 2, 2001.

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Single-Sided Noninvasive Inspection Of Multielement Sample Using Fan-Beam Multiplexed Compton Scatter Tomography, Matthew A. Lange Jun 2001

Single-Sided Noninvasive Inspection Of Multielement Sample Using Fan-Beam Multiplexed Compton Scatter Tomography, Matthew A. Lange

Theses and Dissertations

As aircraft age, corrosion forms upon unobservable surfaces, particularly at the junction of the sheet aluminum and the steel rivets used to attach the sheets to the airframe, degrading the aircraft s airworthiness. Previous research developed a noninvasive technique for the evaluation of the material composition of aluminum surfaces, utilizing the information encoded in the energy spectra of Compton-scattered gamma emissions. The spectra are gathered by a six-element, high purity germanium detector array. A, first principles, deterministic computer code is used to reconstruct a two-dimensional map of the electron density of aluminum samples. Previous efforts, to image pure aluminum samples, …

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Time-Resolved Photoluminescence Of Inas/Gainsb Quantum Well Lasers, Michael R. Mckay Jun 2001

Time-Resolved Photoluminescence Of Inas/Gainsb Quantum Well Lasers, Michael R. Mckay

Theses and Dissertations

In the world of semiconductor photonic device fabrication, one important objective may be to extract as much light as possible from the device. In these devices, photons are created when electrons recombine with holes by transitioning from a high-energy state to a lower one. Unfortunately, electron-hole recombination does not always result in the formation of a photon. There are three basic types of recombination: the first results in the formation of a photon and is called radiative recombination; and the second and third, known as Shockley-Read-Hall and Auger recombination, result in the heating of the device and do not produce …

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Numerical Study Of Optical Delay In Semiconductor Multilayer Distributed Bragg Reflector And Tunable Microcavity Structures, Michael I. K. Etan Mar 2001

Numerical Study Of Optical Delay In Semiconductor Multilayer Distributed Bragg Reflector And Tunable Microcavity Structures, Michael I. K. Etan

Theses and Dissertations

The Air Force has a growing need for the greater bandwidth, speed, and flexibility offered by optical communication links. Future space systems and airborne platforms will most likely use optical signals for efficient power transmission and to minimize the possibility of spoofing and eavesdropping. Tunable optical delays play an important role in the implementation of free space optical communication links. The primary challenge in implementing these systems is the active maintenance of coherent wave fronts across the system's optical aperture. For space applications, this aperture may he hundreds of meters in diameter. Spatial segmentation of a large aperture into smaller …

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Photoluminescence Of Single Quantum Well Structures In Gallium Arsenide, Christian A. Bartholomew Mar 2001

Photoluminescence Of Single Quantum Well Structures In Gallium Arsenide, Christian A. Bartholomew

Theses and Dissertations

The continued development of state-of the-art semiconductor technologies and devices by the United States Air Force and the Department of Defense requires accurate and efficient techniques to evaluate and model these new materials. Of particular interest to the Air Force are quantum well structures which can be used for small-scale laser sources in fly-by-light applications, as efficient infrared countermeasures to heat-seeking missiles, or as advanced seekers in optically guided missiles. This thesis provides the initial experimental procedures and data necessary to begin producing accurate yet robust models. Although carrier effective masses could not be evaluated using hot-electron photoluminescence, photoluminescence excitation …

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Unbiased Density Functional Solutions Of Freezing In Binary Mixtures Of Hard Or Soft Spheres, M. Valera, R. F. Bielby, F. J. Pinksi, Duane D. Johnson Jan 2001

Unbiased Density Functional Solutions Of Freezing In Binary Mixtures Of Hard Or Soft Spheres, M. Valera, R. F. Bielby, F. J. Pinksi, Duane D. Johnson

Duane D. Johnson

various size ratios, σ2/σ1, using density functional theory. The Grand Potential is minimized using an unbiased, discrete, real-space mesh that does not constrain the shape of the density, and, in many cases, leads to solutions qualitatively different from those using Gaussians and plane-waves. Besides the usual face-centered-cubic solid-solution phase for σ2/σ1≈1.0, we find a sublattice-melt phase for σ2/σ1=0.85–0.5 (where the small-sphere density is nonlocalized and multi-peaked) and the NaCl phase for σ2/σ1=0.45–0.35 (when the small-sphere density again sharpens). For a range of size ratios of soft sphere mixtures, we could not find stable nonuniform solutions. Preliminary calculations within a Modified-Weighted …

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Experimental Investigation Of Steel Corrosion In Lead Bismuth Eutectic (Lbe): Characterization, Species Identification, And Chemical Reactions, John Farley, Dale L. Perry Jan 2001

Experimental Investigation Of Steel Corrosion In Lead Bismuth Eutectic (Lbe): Characterization, Species Identification, And Chemical Reactions, John Farley, Dale L. Perry

Transmutation Sciences Materials (TRP)

The goal of the present research is to achieve a basic understanding of corrosion of steels by Lead Bismuth Eutectic (LBE). Liquid LBE is under consideration in the transmuter as both a coolant and a target material. There have been studies of LBE, especially by the Russians, but a fundamental understanding and verification of its role in the corrosion of steels is still very 2 incomplete. Post-experiment testing and analysis will be performed on steel samples that have been in intimate contact with LBE. Chemical alterations and resulting chemical species will be measured at the steel surface. Techniques to be …

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