A great deal of attention has been paid to semiconductor nanowires due to their compatibility of conventional silicon-based technology. Metal-catalytic vapor-liquidsolid (VLS) and various solution-based techniques have widely been used to synthesize silicon/germanium (Si/Ge) nanowires. It is well characterized that the crystallographic orientations, diameter sizes, and surface morphologies of semiconductor nanowires can be controlled by varying process conditions and metal catalysts. Earlier experimental and theoretical studies have identified mechanism underlying metal catalyzed Si/Ge nanowire growth, involving Si/Ge diffusion into a metal catalyst, eutectic Si/Ge-catalyst alloy formation, and Si/Ge precipitation at the catalyst-nanowire interface. However, little is known about the atomic-level details of the structure, energetics and dynamics of amorphous metal alloys such as gold-silicon (Au-Si) and gold-germanium (Au-Ge) despite their importance for well controlled synthesis of Si/Ge nanowires, which is essential for the success of Si/Ge nanowires-based applications. Experiments provide many clues to the fundamental aspects of the behavior and properties of metal alloys, but their interpretations often remain controversial due largely to difficulties in direct characterization. While current experimental techniques are still limited to providing complementary atomic-level, real space information, first principles based atomistic modeling has emerged as a powerful means to address the structure, function and properties of amorphous metallic alloys. This thesis work has focused on developing a detailed understanding of the atomic structure, energetics, and oxidation of Au-Si alloys, as well as molecular mechanisms underlying Au-catalyzed Si nanowire growth. In addition, the surface reconstruction and chemistry of Si nanowires has been examined, with comparisons to planar Si surfaces. In this dissertation, based on first principles atomistic simulations, we present: 1) the atomic structure, energetics, and chemical ordering of amorphous Au-Si alloys with varying Au:Si composition ratios; 2) the behavior of boron (B) in the Au-Si alloy, such as diffusion and agglomeration, and the effect of B addition on the atomic distribution of Si and Au, with implications for in-situ doping of Si nanowires; 3) the origin and structural ordering of Si surface segregation in the Au-Si alloy, providing important insights into the nucleation and early-stage growth of Si nanowires; 4) the interfacial interaction between the Au-Si alloy and various facets of crystalline Si, such as (111), (211), (110), (110), which explains well the underlying reasons for the growth direction of Si nanowires; 5) the oxidation of the Au-Si alloy; and 6) the surface reconstruction and chemistry of Si nanowires with comparisons to planar Si surfaces. Outcomes from the thesis work contribute to: clarifying the atomic structure, energetics and chemical ordering of amorphous bulk Au-Si alloys, as well as their surfaces and interfaces; better understanding molecular mechanisms underlying the Aucatalyzed synthesis of Si nanowires; and identifying the surface reconstruction and chemistry of Si nanowires. The improved understanding can provide invaluable guidance on the rational design and fabrication of Si nanowire-based future electronic, chemical, and biological devices. This thesis work also offers a theoretical platform for studying metal alloy systems with various applications. / text

Thesis (Ph. D.)--University of Texas at Austin, 2008. / Vita. Includes bibliographical references.

No description available.

Mechanical Engineering / Magnesium (Mg) alloys provide material properties that make them attractive for structural components. In particular Mg alloys can be used to produce components with lighter weight than most alloy sheets currently used. However, the insufficient ductility of Mg alloy sheet materials at room temperature can require these to be formed at elevated temperatures to achieve suitable formability. In this research, wrought Mg alloy ZEK100 is studied at 300 °C and lower temperatures. Behavior at these lower temperatures is compared to behavior of 450 °C and 350 °C. A goal of this study is to determine the possibilities for future forming technologies at these lower temperatures. The deformation mechanisms at these temperatures are examined, including their relation to plastic anisotropy. Knowledge of the active deformation mechanisms is used to formulate descriptive models of plastic deformation. Material constitutive models are constructed and used in finite element method (FEM) simulations of gas pressure bulge tests. Finally, results of FEM simulations are compared with experimental results, and the accuracies of the material constitutive models are validated. / text

Amorphous metals have been studied extensively recently and possess many interesting electronic properties. This thesis aims to examine some of these, with particular reference to the conductivity and Hall effect in such alloys. In an extensive review of recent theoretical and experimental work, the author attempts to examine (i) whether the data can be explained using the 'semi-classical' theory of transport, with the inbuilt assumption that the electron loses memory of all collisions before that immediately preceding the time of observation, or whether 'quantum interference' and 'electron correlation phenomena must be considered, and (ii) whether it is possible to provide a simple physical picture of such quantum interference phenomena which leads to results commensurate with those of formal theories and with experimental results. A good probe of electron correlation effects is the temperature dependence of the Hall coefficient. In conjunction with the conductivity a good idea of the importance of such phenomena can be obtained. The succeeding chapters discuss the rebuilding of a radio frequency sputtering system suitable for production of thin amorphous metal films, and the methods used in making high precision measurements of the properties mentioned, between 1.25 and 300K. A results chapter reports data taken on the Cu-Ti and Ni-Zr systems, which were chosen as representative transition metal - transition metal alloy systems showing a wide range of behaviour. Extensive analysis of these data is undertaken, in terms of quantum interference and other theories. The effects of clustering of magnetic centres, and of superconductivity, in Ni-Zr films, is discussed. It is shown that the results are in broad agreement with these theories and first evidence is presented that electron correlation phenomena may be affected by inelastic electron scattering at intermediate temperatures. Confirmation of a simple relationship between the change in Hall coefficient and of conductivity due to electron correlation, predicted by theory, is provided. A short conclusion makes suggestions for future experimental work.

No description available.

published_or_final_version / Chemistry / Doctoral / Doctor of Philosophy

Thesis (Ph. D.)--University of Hong Kong, 1997. / Includes bibliographical references (leaf 218-227).

No description available.

Thesis (Ph. D.)--Oregon Graduate Center, 1976.