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ItemSimulation and modeling of the powder diffraction pattern from nanoparticles: studying the influence of surface strain(Georgia Institute of Technology, 2011-07-07) Beyerlein, Kenneth RoyAccurate statistical characterization of nanomaterials is crucial for their use in emerging technologies. This work investigates how different structural characteristics of metal nanoparticles influence the line profiles of the corresponding powder diffraction pattern. The effects of crystallite size, shape, lattice dynamics, and surface strain are all systematically studied in terms of their impact on the line profiles. The studied patterns are simulated from atomistic models of nanoparticles via the Debye function. This approach allows for the existing theories of diffraction to be tested, and extended, in an effort to improve the characterization of small crystallites. It also begins to allow for the incorporation of atomistic simulations into the field of diffraction. Molecular dynamics simulations are shown to be effective in generating realistic structural models and dynamics of an atomic system, and are then used to study the observed features in the powder diffraction pattern. Furthermore, the characterization of a sample of shape controlled Pt nanoparticles is carried out through the use of a developed Debye function analysis routine in an effort to determine the predominant particle shape. The results of this modeling are shown to be in good agreement with complementary characterization methods, like transmission electron microscopy and cyclic voltammetry.
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ItemCharacterization of open celled metal foams(Georgia Institute of Technology, 2011-01-26) Lin, Stephanie JanetOpen cell metal foams are a type of engineered material can be characterized by high porosity, high strength to weight ratio, tortuous flow paths and high surface area to volume ratio. It is the structure that gives the metal foams the characteristics that make them well suited for many application including heat exchangers. In this work, the structure of open celled metal foams is quantitatively characterized using an image analysis based method in order to predict the evaporative heat transfer of the metal foam using the fluid permeability. Several image processing algorithms were developed to quantitatively characterize the porosity, surface area per unit volume and the tortousity of metal foams from digital images of the cross sections of the material, and an expression was used to calculate the fluid permeability. An algorithm was developed to partion the pore space in the digital images so that individual cells within the structure could also be quantitatively characterized. Tools were also developed to predict the structure of open celled foam processed using the sacrificial template method by digitally constructing microstructures based the particle packing of the sacrificial templating material.
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ItemZnO nanocones and nanoplatelets: synthesis and characterization(Georgia Institute of Technology, 2010-08-12) Chang, YanlingNanowire structure plays an important role in the development of nanotechnology. However, further study shows that the shape of nanowires may not be the ideal morphology for some applications such as solar cells and sensors. Thus, the purpose of this thesis is to find a low cost and high yield approach to the synthesis of other morphologies of nanostructures in order to further improve the performance of these nanodevices. To this end, a chemical approach has been extended to the synthesis ZnO nanocones and platelets. With UV illumination, the synthesis of ZnO nanocones was achieved on GaN films on sapphire and gold films on silicon substrates. Both TEM and XRD results show that as-grown ZnO nanocones are single crystals. The formation of ZnO nanocones could be explained by the absorption process of photons. The UV light induced thermal gradient modifies the heat distribution as well as the reagent transport. The chemical reaction system is kinetically limited and results in ZnO nanocones. If the UV light is blocked, the ZnO nanowires result. In addition, the density of ZnO nanocones is higher than ZnO nanowires grown without UV illumination. By this chemical approach, ZnO platelets could also be obtained on GaN films deposited by PLD, whose c-axis is parallel to the surface of the substrate. The diameters and the thickness of the platelets depend on the quality and thickness of GaN film. TEM results illustrate that the obtained ZnO platelets are single crystals grown along the <0 1 1 0> direction within the {0 0 0 1} planes. Relative growth rates of various facets were altered by the presence of [1 0 0] textured GaN film. The suppression of the growth along c axis can also be achieved by citrate anions as a structure-directing agent to adsorb selectively on ZnO basal planes. Electrical measurement shows that the resistance of ZnO platelets is about 20-40 GΩ¸ and it is higher than that of ZnO nanowires. Piezoelectric potential calculation results also indicate that the piezoelectric potential is higher than for ZnO nanowires with the same external applied stress. These procedures and results demonstrate an easy and low cost way to fabricate ZnO nanocones and platelets, which may aid the utilization of nanostructures in solar cells, sensors and other applications to further improve their performance.