Physics Commons^™

Physical Electronic Properties Of Self-Assembled 2d And 3d Surface Mounted Metal-Organic Frameworks, Radwan Elzein

USF Tampa Graduate Theses and Dissertations

Metal-organic frameworks stand at the frontiers of molecular electronic research because they combine desirable physical properties of organic and inorganic components. They are crystalline porous solids constructed by inorganic nodes coordinated to organic ligands to form 1D, 2D, or 3D structures. They possess unique characteristics such as ultrahigh surface area crystal lattices up to 10000 m² g^-1, and tunable nanoporous sizes ranging from 0.2 to 50 nm. Their unprecedented structural diversity and flexibility beyond solid state materials can lead to unique properties such as tailorable electronic and ionic conductivity which can serve as interesting platforms for a …

A Fundamental Investigation Into Low Thermal Conductivity P-Type Chalcogenides And Skutterudites With Potential Thermoelectric Applications, Dean Hobbis

USF Tampa Graduate Theses and Dissertations

Sustainable and renewable energy is an incredibly important area in today’s society and investigation into avenues to improve this wide ranging technology are underway in many different fields. Thermoelectric devices possess the ability for the direct solid-state interconversion of heat and electrical power, which not only allows for sustainable refrigeration but also waste heat recovery. One current restriction on the efficiency of thermoelectric devices is the disparity in thermoelectric performance of p-type and n-type materials. Furthermore, a key physical attribute shared by the majority of high performing thermoelectric materials is low thermal conductivity. Thus in this thesis three separate p-type …

The Effect Of Processing Conditions On The Energetic Diagram Of Cdte Thin Films Studied By Photoluminescence, Shamara P. Collins

USF Tampa Graduate Theses and Dissertations

The photovoltaic properties of CdTe-based thin films depend on recombination levels formed in the CdTe layer and at the heterojunction. The localized states are resultant of structural defects (metal sublattice, chalcogen sublattice, interstitial), controlled doping, deposition process, and/or post-deposition annealing. The photoluminescence study of CdTe thin films, from both the bulk and heterojunction, can reveal radiative states due to different defects or impurities. Identification of defects allows for potential explanation of their roles and influence on solar cell performance. A thorough understanding of the material properties responsible for solar cell performance is critical in further advancing the efficiency of devices. …

Towards Fundamental Understanding Of Thermoelectric Properties In Novel Materials Using First Principles Simulations, Artem R. Khabibullin

USF Tampa Graduate Theses and Dissertations

Thermoelectric materials play an important role in energy conversion as they represent environmentally safe and solid state devices with a great potential towards enhancing their efficiency. The ability to generate electric power in a reliable way without using non-renewable resources motivates many experimentalists as well as computational physicists to search and design new thermoelectric materials. Several classes of materials have been identified as good candidates for high efficient thermoelectrics because of their inherently low thermal conductivity. The complex study of the crystal and electronic structures of such materials helps to reveal hidden properties and give fundamental understanding, necessary for the …

Surface And Interface Effects Of Magnetoimpedance Materials At High Frequency, Tatiana M. Eggers

USF Tampa Graduate Theses and Dissertations

Amorphous and nanocrystalline transition metal magnetic alloys (TMMAs) have been the subjects of fundamental and applied study due to their unique structure. The lack of long-range order in these materials sets the stage for their soft magnetic properties to be tuned for a variety of technological applications, such as sensitive magnetic field sensors, high frequency transformers, and stress sensors. Fundamental investigation of the magnetic and structural properties of these materials is also motivated by their unique amorphous or nanocrystalline-embedded amorphous matrix morphology, which has consequences on both the magnetism seen from both the atomic and macro-scale. The surfaces of these …

The Association Of Size Variation In The Dental Arch To Third Molar Agenesis For A Modern Population, Devin N. Williams

USF Tampa Graduate Theses and Dissertations

The frequency with which individuals do not develop their third molars, or wisdom teeth, is increasing worldwide. This current topic of human evolution is relevant to the research of anthropologists, geneticists, dentists, and other researchers involved in the study of human dentition. Many explanations have been offered to account for the prevalence of molar agenesis including, evolutionary, environmental, and genetic theories. The purpose of this research project is to determine the frequency of third molar agenesis and investigate the relationship between third molar agenesis and maxillomandibular jaw dimensions in a sample of orthodontic patients. This research tests the hypotheses that: …

Characterization Of Computed Tomography Radiomic Features Using Texture Phantoms, Muhammad Shafiq Ul Hassan

USF Tampa Graduate Theses and Dissertations

Radiomics treats images as quantitative data and promises to improve cancer prediction in radiology and therapy response assessment in radiation oncology. However, there are a number of fundamental problems that need to be solved in order to potentially apply radiomic features in clinic. The first basic step in computed tomography (CT) radiomic analysis is the acquisition of images using selectable image acquisition and reconstruction parameters. Radiomic features have shown large variability due to variation of these parameters. Therefore, it is important to develop methods to address these variability issues in radiomic features due to each CT parameter. To this end, …

Coarse-Grained Modeling Studies Of Polymeric And Granular Systems, Hong Trung Nguyen

USF Tampa Graduate Theses and Dissertations

This Dissertation is devoted to computational study of the solidification, dynamics and mechanics of model semiflexible polymers with variable chain flexibility as well as a computational investigation of the clogging phenomena observed in granular materials.

Chain stiffness is an intrinsic factor that governs single-chain flexibility. It plays a critical role in the physics of polymeric materials. In this work, we employ a coarse-grained polymer model in which chain stiffness can be tuned by a single parameter (bending stiffness kb) that yields chain shape ranging from coil-like to rod-like in the flexible and very stiff limit respectively. In chapter 2, we …

Computational Discovery Of Energetic Polynitrogen Compounds At High Pressure, Brad A. Steele

USF Tampa Graduate Theses and Dissertations

High-nitrogen-content energetic compounds containing multiple N-N bonds are an attractive alternative towards developing new generation of environmentally friendly, and more powerful energetic materials. High-N content translates into much higher heat of formation resulting in much larger energy output, detonation pressure and velocity upon conversion to large amounts of non-toxic, strongly bonded N2 gas. This thesis describes recent advances in the computational discovery of group-I alkali and hydrogen polynitrogen materials at high pressures using powerful first-principles evolutionary crystal structure prediction methods. This is highlighted by the discovery of a new family of materials that consist of long-sought after all-nitrogen N􀀀 5 …