Engineering Commons^™

Crystal Structure Prediction Of Materials At Extreme Conditions, Ashley S. Williams

USF Tampa Graduate Theses and Dissertations

The prediction of the structure of a crystal given only the constituent elements is one of the greatest challenges in both materials science and computational science alike. If one were to try to predict a novel crystal by brute force, meaning by arranging the atoms in every possible position of the unit cell and optimizing the geometry to find the energy minima of the potential energy surface, the amount of computer resources required to complete the calculation on the timescale of a few years would vastly exceed the currently installed computational capacity of the entire world. Fortunately, several methods have …

Sizing An Anaerobic Digester In A Rural Developing World Community: Does Household Fuel Demand Match Greenhouse Gas Production?, Ronald Keelan Greenwade

USF Tampa Graduate Theses and Dissertations

Anaerobic digestion is the process by which organic carbon is converted into biogas in the form of carbon dioxide (CO₂) and methane (CH₄). Both of these products are greenhouse gases that contribute to global warming. Therefore if anaerobic reactors are improperly maintained and biogas is leaked or intentionally released into the atmosphere because biogas production exceeds household demand, these reactors may become generators of greenhouse gas emissions instead of sustainable energy producers. The objective of this research was to develop a framework to assess if the demand for biogas by a rural adopter of an anaerobic …

Development Of An Integrated Process Model For Algae Growth In A Photobioreactor, Mehregan Jalalizadeh

USF Tampa Graduate Theses and Dissertations

While understanding the kinetics of algae growth plays an important role in improving algae cultivation technology, none of the existing kinetic models are able to describe algae growth when more than three growth limiting factors are involved. A model was developed in this study to describe algae growth in a photobioreactor. Two expressions were proposed based on the Monod model to relate the specific growth rate of algae to the concentration of nitrogen, phosphorus, inorganic carbon and light intensity in the culture media. Algal biomass concentration as a function of time was calculated by solving mass and energy balances around …

Development Of Interatomic Potentials For Large Scale Molecular Dynamics Simulations Of Carbon Materials Under Extreme Conditions, Romain Perriot

USF Tampa Graduate Theses and Dissertations

The goal of this PhD research project is to devise a robust interatomic potential for large scale molecular dynamics simulations of carbon materials under extreme conditions. This screened-environment dependent reactive empirical bond order potential (SED-REBO) is specifically designed to describe carbon materials under extreme compressive or tensile stresses. Based on the original REBO potential by Brenner and co workers, SED-REBO includes reparametrized pairwise interaction terms and a new screening term, which serves the role of a variable cutoff. The SED-REBO potential overcomes the deficiencies found with the most commonly used interatomic potentials for carbon: the appearance of artificial forces due …

Diamond Based-Materials: Synthesis, Characterization And Applications, Qiang Hu

USF Tampa Graduate Theses and Dissertations

The studies covered in this dissertation concentrate on the various forms of diamond films synthesized by chemical vapor deposition (CVD) method, including microwave CVD and hot filament CVD. According to crystallinity and grain size, a variety of diamond forms primarily including microcrystalline (most commonly referred to as polycrystalline) and nanocrystalline diamond films, diamond-like carbon (DLC) films were successfully synthesized. The as-grown diamond films were optimized by changing deposition pressure, volume of reactant gas hydrogen (H2) and carrier gas argon (Ar) in order to get high-quality diamond films with a smooth surface, low roughness, preferred growth orientation and high sp3 bond …

Oxygen Diffusion Characterization Of Frp Composites Used In Concrete Repair And Rehabilitation, Chandra K. Khoe

USF Tampa Graduate Theses and Dissertations

Many independent studies have conclusively demonstrated that fiber reinforced polymers (FRP) slow down chloride-induced corrosion of steel in concrete. The mechanism for this slow down is not well understood but it has been hypothesized that FRP serves as a barrier to the ingress of chloride, moisture, and oxygen that sustain electrochemical corrosion of steel.

This dissertation presents results from an experimental study that determined the oxygen permeation rates of materials used in infrastructure repair. In the study, the oxygen permeation constants for epoxy, carbon and glass fiber laminates, concrete, epoxy-concrete and FRP-concrete systems were determined and a method developed to …