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Materials Science and Engineering

Doctoral Dissertations

2018

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Full-Text Articles in Physical Sciences and Mathematics

Effective Magnetic And Electric Response Of Composite Materials, Mona Hassan Alsaleh Nov 2018

Effective Magnetic And Electric Response Of Composite Materials, Mona Hassan Alsaleh

Doctoral Dissertations

Metamaterials (MMs) are nanocomposite materials consisting of metal-dielectric resonators much smaller in size than the wavelength of the incident light. Common examples of metamaterials are based on split ring resonators (SRRs), parallel wires or strips and fishnet structures. These types of materials are designed and fabricated in order to provide unique optical responses to the incident electromagnetic radiation that are not available in naturally existing materials. The MMs can exhibit unusual properties such as strong magnetism at terahertz (THz) and optical frequencies. Additionally, negative index materials (NIMs) can provide negative index of refraction which can be used in many applications …

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Swelling Induced Deformation Of Thermally Responsive Hydrogels, Ying Zhou Oct 2018

Swelling Induced Deformation Of Thermally Responsive Hydrogels, Ying Zhou

Doctoral Dissertations

Hydrogels are crosslinked polymeric networks imbibed with aqueous solutions. They undertake dramatic volume changes through swelling and deswelling processes, which can be stimulated by factors like temperature, pH or different chemicals. These unique properties render hydrogels particularly interesting for shape morphing related applications. In this thesis, we focus on the swelling induced deformation of thermally responsive hydrogels with lower critical solution temperatures (LCSTs), including poly(N-isopropylacrylamide) (PNIPAm) and poly(N,N-diethylacrylamide) (PDEAm). Particularly, benzophenone containing monomers are copolymerized with NIPAm or DEAm to create photocrosslinkable temperature-responsive polymers, which allows fabrication of hydrogels with controlled shapes and crosslinking …

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Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn Oct 2018

Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn

Doctoral Dissertations

Density functional theory (DFT) and time dependent density functional theory (TDDFT) have had great success solving for ground state and excited states properties of molecules, solids and nanostructures. However, these problems are particularly hard to scale. Both the size of the discrete system and the number of needed eigenstates increase with the number of electrons. A complete parallel framework for DFT and TDDFT calculations applied to molecules and nanostructures is presented in this dissertation. This includes the development of custom numerical algorithms for eigenvalue problems and linear systems. New functionality in the FEAST eigenvalue solver presents an additional level of …

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Dynamics And Structure Of Polyelectrolyte Complexes, Hamidreza Shojaei-Mahib Jul 2018

Dynamics And Structure Of Polyelectrolyte Complexes, Hamidreza Shojaei-Mahib

Doctoral Dissertations

Interaction of charged macromolecules among themselves and with charged interfaces in salty aqueous medium is a common phenomenon prevalent in biology and synthetic systems. We have addressed several inter-related issues in this general context. First we present a theory of adsorption of polyelectrolytes on the interior and exterior surfaces of a charged spherical vesicle. We derive the critical adsorption condition and the density profile of the polymer in terms of various characteristics of the polymer, vesicle, and the solution, such as the length and charge density of polymer, the radius and charge of the vesicle, the salt concentration of the …

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Self-Assembling Networks In Soft Materials, Ishan Prasad Jul 2018

Self-Assembling Networks In Soft Materials, Ishan Prasad

Doctoral Dissertations

This dissertation presents a study on heterogeneous network structure in two distinct classes of soft material systems: disordered assemblies of jammed binary spheres and ordered morphologies of block copolymer melts. The aim is to investigate the combined role of geometry and entropy in structure formation of soft matter assemblies. First, we investigate the influence of particle size asymmetry on structural properties of jammed binary sphere mixtures. We give evidence of two distinct classes of materials separated by a critical size ratio that marks the onset of a sharp transition due to simultaneous jamming of a sub-component of the packing. We …

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Modeling Deformation Behavior And Strength Characteristics Of Sand-Silt Mixtures: A Micromechanical Approach, Mehrashk Meidani Mar 2018

Modeling Deformation Behavior And Strength Characteristics Of Sand-Silt Mixtures: A Micromechanical Approach, Mehrashk Meidani

Doctoral Dissertations

This dissertation is comprised of six chapters. In the first chapter the motivation of this research, which was modeling the deformation behavior and strength characteristics of soils under internal erosion, is briefly explained. In the second chapter a micromechanis-based stress-strain model developed for prediction of sand-silt mixtures behavior is presented. The components of the micromechanics-based model are described and undrained behavior of six different types of sand-silt mixtures is predicted for several samples with different fines contents. The need for a more comprehensive compression model for sand-silt mixtures is identified at the end of this chapter. This desired compression model …

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Electrodeposited Semiconductor Nanostructures & Epitaxial Thin Films For Flexible Electronics, Naveen Kumar Mahenderkar Jan 2018

Electrodeposited Semiconductor Nanostructures & Epitaxial Thin Films For Flexible Electronics, Naveen Kumar Mahenderkar

Doctoral Dissertations

"Single-crystal Si is the bedrock of semiconductor devices due to the high crystalline perfection which minimizes electron-hole recombination, and the dense native silicon oxide which minimizes surface states. To expand the palette of electronic materials beyond planar Si, an inexpensive source of highly ordered material is needed that can serve as an inert substrate for the epitaxial growth of grain boundary-free semiconductors, photonic materials, and superconductors. There is also a need for a simple, inexpensive, and scalable fabrication technique for the growth of semiconductor nanostructures and thin films. This dissertation focuses on the fabrication of semiconducting nanowires (polycrystalline Ge & …

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Mitigation Of Environmental Hazards Of Sulfide Mineral Flotation With An Insight Into Froth Stability And Flotation Performance, Muhammad Badar Hayat Jan 2018

Mitigation Of Environmental Hazards Of Sulfide Mineral Flotation With An Insight Into Froth Stability And Flotation Performance, Muhammad Badar Hayat

Doctoral Dissertations

"Today's major challenges facing the flotation of sulfide minerals involve constant variability in the ore composition; environmental concerns; water scarcity and inefficient plant performance. The present work addresses these challenges faced by the flotation process of complex sulfide ore of Mississippi Valley type with an insight into the froth stability and the flotation performance. The first project in this study was aimed at finding the optimum conditions for the bulk flotation of galena (PbS) and chalcopyrite (CuFeS₂) through Response Surface Methodology (RSM). In the second project, an attempt was made to replace toxic sodium cyanide (NaCN) with the biodegradable chitosan …

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Functionalized Nanoporous Carbon Scaffolds For Hydrogen Storage Applications, Christopher L. Carr Jan 2018

Functionalized Nanoporous Carbon Scaffolds For Hydrogen Storage Applications, Christopher L. Carr

Doctoral Dissertations

"Recent efforts have demonstrated confinement in porous scaffolds at the nanoscale can alter the hydrogen sorption properties of metal hydrides, though not to an extent feasible for use in onboard hydrogen storage applications, proposing the need for a method allowing further modifications. The work presented here explores how the functionalization of nanoporous carbon scaffold surfaces with heteroatoms can modify the hydrogen sorption properties of confined metal hydrides in relation to non-functionalized scaffolds (FS). Investigations of nanoconfined LiBH4 and NaAlH4 indicate functionalizing the carbon scaffold surface with nitrogen can shift the activation energy of hydrogen desorption in excess of …

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Electrodeposited Epitaxial Cobalt Oxides And Copper Metal, Caleb M. Hull Jan 2018

Electrodeposited Epitaxial Cobalt Oxides And Copper Metal, Caleb M. Hull

Doctoral Dissertations

"Electrochemical deposition methods are presented for the deposition of Co(OH)2 and Cu metal. Paper I shows the deposition of β-Co(OH)2 on Ti through electrochemical reduction of [Co(en)3]3+ to [Co(en)3]2+ in 2M NaOH. The catalytic properties of the deposited Co(OH)2 towards water oxidation is found comparable to Co3O4, with the surface of the Co(OH)2 converting to CoOOH during the reaction. Paper II gives the conditions suitable for epitaxial growth of Co(OH)2 on Au(100), Au(110), and Au(111) following the same reduction mechanism as described in Paper I. …

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