Index Catalog // ScholarsArchive@OSU

Creator:: Jackson, Dennis L.
Abstract:: We developed a model to investigate the dielectric properties of the BaTiO₃ − Bi(Zn₁/₂Ti₁/₂)O₃ (BT-BZT) solid solution, which is a relaxor ferroelectric and exhibits long range disorder. The model uses ab initio methods to determine all polarization states for every atomic configuration of 2 x 2 x 2 supercells of...
Resource Type:: Dissertation
Full Text:: Abstract approved: David J. Roundy We developed a model to investigate the dielectric properties of the

Creator:: May, Christopher
Abstract:: The equation of state for a fluid described by the Weeks-Chandler-Andersen (WCA) potential was solved to determine at what pressures and temperatures the fluid will theoretically freeze. A Monte Carlo (MC) algorithm was used to sample a system of 256 spheres for a set of thermodynamic averages to locate and...
Resource Type:: Undergraduate Thesis
Full Text:: and led to a series of articles written by John Weeks, David Chandler, and Hans Andersen describing a

Creator:: Schulte, Jeff B.
Abstract:: This thesis reports on computational research in two different areas. I first discuss the Min-protein system found within Escherichia coli. Following this I discuss an extended investigation into improving free energy functionals that are used within Classical Density Functional Theory in order to model water. Chapter 2 examines the dynamics...
Resource Type:: Dissertation
Full Text:: Classical Density Functional Theory and Min Proteins in Escherichia Coli Abstract approved: David J

Creator:: Carney, Jonathan
Abstract:: Metal organic frameworks(MOFs) are a class of crystalline materials utilized in gas storage, chemicalsensing, and other engineering applications. Recently chemists have begun synthesizing MOFs withmoving parts in order to further these applications. A wide array of dynamic MOFs have been created andtheorized. Among them is the interlocking of a ring...
Resource Type:: Undergraduate Thesis
Full Text:: undergraduate thesis advised by David Roundy and Cory Simon submitted to the Department of Physics, Oregon

Creator:: Kiatvongcharoen, Jin
Abstract:: The motor protein dynein is responsible for cellular processes such as axonal transport and cell division by delivering vital information along the microtubule track. A failed delivery can cause severe damage to the cell’s functionality and lead to neurological diseases. Despite dynein’s rich history in cellular research, the mechanism of...
Resource Type:: Undergraduate Thesis
Full Text:: . David Roundy submitted to the Department of Physics, Oregon State University in partial fulfillment of

Creator:: Sprueill, Henry
Abstract:: Computational statistical mechanics leans heavily on the class of Markov Chain Monte Carlo Algorithms. Many such algorithms exist, and simulations can run for several weeks, making the selection of algorithms a difficult, but critical task. In this work, we introduce a benchmark system of two quadratic wells with an analytical...
Resource Type:: Undergraduate Thesis
Full Text:: Carlo Methods in Statistical Mechanics Henry Sprueill And undergraduate thesis advised by Dr. David

Creator:: Krebs, Eric J.
Abstract:: This dissertation reports on the computational physics research in the area of inhomogeneous fluids. I first discuss the theory background for this work beginning with water, which is important for the two published articles that are presented in this work (Chapters 5 and 6). Next, I give a brief overview...
Resource Type:: Dissertation
Full Text:: . Title: Theory of Inhomogeneous Fluids Abstract approved: David J. Roundy This dissertation reports on

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