Physical Sciences and Mathematics 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 …

Reconstructing Geographic And Trophic Histories Of Fish Using Bulk And Compound-Specific Stable Isotopes From Eye Lenses, Amy A. Wallace

USF Tampa Graduate Theses and Dissertations

The present research examined the viability and utility of eye lenses as a source of lifetime stable-isotope records in fish. It is presented in three sections. The first section compared bulk isotopic variation (bulk analysis) within fish eye-lenses at two temporal resolutions and compared patterns obtained from left and right eyes. The first temporal resolution was lower in an attempt to expose broad-scale isotopic changes during life while reducing effort and cost. This approach did reveal lifetime patterns, but tended to miss certain life events, particularly during early life. The second resolution was higher and provided detail that was missed …

Life History Through The Eyes Of A Hogfish: Evidence Of Trophic Growth And Differential Juvenile Habitat Use, Meaghan E. Faletti

USF Tampa Graduate Theses and Dissertations

Understanding ontogenetic linkages among fish habitats is critical for conservation of fish populations and the ecosystems on which they rely. Natural tags such as stable isotopes are an effective tool commonly used to investigate ecological questions regarding fish movement and habitat use. Here, I analyzed stable isotopes from the sequentially deposited laminae of Hogfish (Lachnolaimus maximus) eye lenses from the eastern Gulf of Mexico (eGOM) to investigate trophic and geographic changes across individual life histories. I documented evidence of entire-life scale trophic growth through increases in δ15N. I also observed depth separation at the juvenile stage, evidenced by variation in …

Ice And Guano Deposits In El Malpais Lava Tubes: Potential Paleoclimate Archives For The Southwest United States, Dylan S. Parmenter

USF Tampa Graduate Theses and Dissertations

Three ice cores and one guano core were obtained from lava tubes in El Malpais National Monument, New Mexico, in the Southwest United States. A large hiatus in the Bat Cave guano record, resulting from mining activities in the early 1900's, left us with only ~50 years of data (from AD 1955-2006) to use in analysis. 13C values in guano (-18 to -11.6‰) primarily fall within the range of C4 plants, and likely indicate a tendency of Tadarida brasiliensis to feed on insects over grasslands to the North or South of the park. Variations in 13C values for this period …

A Bat-Guano-Derived Δ15N And Δ13C Record Of Paleoenvironmental Change: Zidită Cave, Romania, Daniel Martin Cleary

USF Tampa Graduate Theses and Dissertations

Because nitrogen isotopes are fractionated along the soil-plant-insect-bat-guano pathway, it may be possible to reconstruct environmental and climatic changes reflected in the nitrogen isotopic composition of guano. A 1.5-m core of bat guano from Zidită Cave (western Romania) provides a record of climatic and anthropogenic influence on the regional nitrogen cycle and paleoenvironmental controls on nitrogen transforming processes. Increasing and decreasing trends of nitrogen isotopic composition (δ¹⁵N values) correspond well with changes in the influence of farming practices, deforestation, and forest expansion. These influences likely had a significant effect on the openness of the nitrogen cycle, resulting in …

Stable Isotopes And Trace Elements In Tooth Enamel Bioapatite: Effects Of Diagenesis And Pretreatment On Primary Paleoecological Information, Jessica Norman Wilson

USF Tampa Graduate Theses and Dissertations

The geochemical analysis of bioapatite in vertebrate skeletal tissues is an important tool used to obtain ecological information from fossil animals. An important consideration when conducting stable isotope and trace element analyses is obtaining biogenic information that has been unaffected by diagenetic processes.

A two-step pretreatment procedure is commonly used remove diagenetically altered material by removing organic material, via an oxidation reaction with H2O2 or NaOCl, and secondary carbonate, via dissolution in dilute acetic acid, from bioapatite. While much work has been done to determine the efficacy of the pretreatment process, little research has been conducted to determine the potential …

Variability In Hydrology And Ecosystem Properties And Their Role In Regulating Soil Organic Matter Stability In Wetlands Of West-Central Florida, Sharon Jean Feit

USF Tampa Graduate Theses and Dissertations

Soil organic matter (SOM) provides many ecosystem services that are necessary for continued ecosystem function. The accumulation of SOM in an ecosystem is a function of its persistence time which can range from days to thousands of years. Ecosystem properties including dominant vegetation type, soil texture, and soil moisture in various habitats can regulate the persistence time of SOM.

Wetlands, because of their associated ecosystem properties, promote SOM accumulation, but little has been done to determine the ecosystem properties that regulate its persistence over time. In west-central Florida, urbanization and increased water demands have suppressed water tables in isolated wetland …

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 …