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  • Monte Carlo simulation of oxygen mobility in cubic zirconia

    Creator:
    Gutekunst, Bernd
    Abstract:
    The focus of this thesis is a study of the thermodynamics and the transport of oxygen in yttrium-doped cubic zirconia (Zr0₂). This material is representative of other ceramics with the same crystal structure (Y-Ce0₂ etc.). The Monte Carlo technique as developed by Metropolis et al. is used to calculate thermodynamical...
    Resource Type:
    Masters Thesis
    Full Text:
    approved: Redacted for privacy rhienri J. F. Jansen The focus of this thesis is a study of the

  • Parametrization of energy bands in zirconia

    Creator:
    Rosenbauer, Martin
    Resource Type:
    Masters Thesis
    Full Text:
    - ful to my adviser, Dr. Henri Jansen, who never got tired of answering my questions concerning many

  • Electronic structures and magnetic properties of iron in various magnetic states and structural phases

    Creator:
    Peng, Songshi S.
    Abstract:
    Total energy calculations based on density functional theory are generally a good approach to obtain the properties of solids. The local density approximation (LDA) is widely used for calculating the ground state properties of electronic systems; for excited states the errors are in general unknown. The important aspects of LDA...
    Resource Type:
    Dissertation
    Full Text:
    approved: Henri J. F. Jansen Total energy calculations based on density functional theory are generally a

  • Molecular dynamics at constant temperature and pressure

    Creator:
    Decker, Mike W.
    Abstract:
    Molecular dynamics is a technique in which the trajectories of a group of particles are calculated as a function of time by integrating the equations of motion. In this thesis we study the use of molecular dynamics for atoms in a crystal. A model is introduced which describes interactions of...
    Resource Type:
    Masters Thesis
    Full Text:
    I would especially like to thank my advisor, Dr. Henri Jansen for his guidance and support in my

  • Calculation of magnetocrystalline anisotropy

    Creator:
    Schneider, Gunter
    Abstract:
    The magnetocrystalline anisotropy energy (MAE) for fcc Ni and bcc Fe is calculated as the difference of single particle energy eigenvalue sums using a tight-binding model. For nickel we predict a MAE of -0.15 eV and the wrong easy axis, for iron we find a MAE of -0.7 eV with...
    Resource Type:
    Dissertation
    Full Text:
    , Henri J. F. Jansen, for giving me the opportunity and for his continued support, patience and advice

  • Immersion energies of atoms in jellium

    Creator:
    Albus, Alexander P.
    Abstract:
    Immersion energies of atoms in a jellium environment were calculated using density functional theory and the Kohn-Sham (KS) equations. It was found that the KS scheme does not destroy an existing axial symmetry of the electron structure of the impurity atom. The definition of phase shifts was extended to those...
    Resource Type:
    Masters Thesis
    Full Text:
    . 1999. Title: Immersion Energies of Atoms in Je Ilium. Abstract approved. Henri .1. F. Jansen

  • Relation between bandstructure and magnetocrystalline anisotropy : iron and nickel

    Creator:
    Wang, Haiyan
    Abstract:
    A large amount of research has been done in which the magnetocrystalline anisotropy energy for fcc Ni and bcc Fe was calculated based on the electronic structure of these elements. Unfortunately; the results of these studies don't agree with each other and also differ from the experimental observation. In a...
    Resource Type:
    Masters Thesis
    Full Text:
    Magnetocrystalline Anisotropy: Iron and Nickel. Abstract approved. Henri J. F. Jansen A large amount of

  • Effect of iron redistribution in soils on cesium magnetometer surveys at the Oregon State University research dairy

    Creator:
    Rogers, Michael
    Abstract:
    Contamination events at Oak Creek, which runs through Oregon State University Research lands, prompted investigations into alternate transport mechanisms for moving liquid effluent from OSU Diary lands to Oak Creek. Magnetometer surveys conducted at the Diary identified magnetic signatures spatially associated with sub-surface locations of drain tiles, a 12-inch pipe,...
    Resource Type:
    Dissertation
    Full Text:
    approved: Henri J. F. Jansen Contamination events at Oak Creek, which runs through Oregon State Univer

  • Magneto-crystalline anisotropy calculation in thin films with defects

    Creator:
    Matusevich, David Sergio
    Abstract:
    The code is developed for the calculation of the magneto-crystalline anisotropy (MAE) in thin films using a classical Heisenberg hamiltonian with a correction developed by Van Vleck. A Metropolis style Monte Carlo algorithm was used with adequate corrections to accelerate the calculation. The MAE was calculated for the case of...
    Resource Type:
    Dissertation
    Full Text:
    Anisotropy Calculation in Thin Films with Defects Abstract approved: Henri J. F. Jansen The code is

  • Impurities in a homogeneous electron gas

    Creator:
    Song, Jung-Hwan
    Abstract:
    Immersion energies for an impurity in a homogeneous electron gas with a uniform positive background charge density have been calculated numerically using density functional theory. The numerical aspects of this problem are very demanding and have not been properly discussed in previous work. The numerical problems are related to approximations...
    Resource Type:
    Dissertation
    Full Text:
    fully express my gratitude to my Major Professor, Henri J. F. Jansen, who has been a most important