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Full-Text Articles in Physics
Crystal Structure Prediction Of Materials At Extreme Conditions, Ashley S. Williams
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 …
Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss
Equations Of State For Warm Dense Carbon From Quantum Espresso, Derek J. Schauss
Theses and Dissertations
Warm dense plasma is the matter that exists, roughly, in the range of 10,000 to 10,000,000 Kelvin and has solid-like densities, typically between 0.1 and 10 grams per centimeter. Warm dense fluids like hydrogen, helium, and carbon are believed to make up the interiors of many planets, white dwarfs, and other stars in our universe. The existence of warm dense matter (WDM) on Earth, however, is very rare, as it can only be created with high-energy sources like a nuclear explosion. In such an event, theoretical and computational models that accurately predict the response of certain materials are thus very …
Exploring The Electrical Properties Of Twisted Bilayer Graphene, William Shannon
Exploring The Electrical Properties Of Twisted Bilayer Graphene, William Shannon
Senior Theses
Two-dimensional materials exhibit properties unlike anything else seen in conventional substances. Electrons in these materials are confined to move only in the plane. In order to explore the effects of these materials, we have built apparatus and refined procedures with which to create two-dimensional structures. Two-dimensional devices have been made using exfoliated graphene and placed on gold contacts. Their topography has been observed using Atomic Force Microscopy (AFM) confirming samples with monolayer, bilayer, and twisted bilayer structure. Relative work functions of each have been measured using Kelvin Probe Force Microscopy (KPFM) showing that twisted bilayer graphene has a surface potential …
Photoluminescence From Gan Co-Doped With C And Si, Mykhailo Vorobiov
Photoluminescence From Gan Co-Doped With C And Si, Mykhailo Vorobiov
Theses and Dissertations
This thesis devoted to the experimental studies of yellow and blue luminescence (YL and BL relatively) bands in Gallium Nitride samples doped with C and Si. The band BLC was at first observed in the steady-state photoluminescence spectrum under high excitation intensities and discerned from BL1 and BL2 bands appearing in the same region of the spectrum. Using the time-resolved photoluminescence spectrum, we were able to determine the shape of the BLC and its position at 2.87 eV. Internal quantum efficiency of the YL band was estimated to be 90\%. The hole capture coefficient of the BLC …
Development Of Interatomic Potentials For Large Scale Molecular Dynamics Simulations Of Carbon Materials Under Extreme Conditions, Romain Perriot
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 …