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Title page for etd-0722105-092044


URN etd-0722105-092044 Statistics This thesis had been viewed 2588 times. Download 1508 times.
Author Yan-Fei Chen
Author's Email Address No Public.
Department Mechanical Engineering
Year 2003 Semester 2
Degree Master Type of Document Master's Thesis
Language zh-TW.Big5 Chinese Page Count 81
Title Predictions of Annealing of Hydrogen-Bond Structure for Ice Crystal in nanoscale by Molecular Dynamics Method
Keyword
  • Water
  • Molecular dynamics
  • Hydrogen-bond
  • CC potential
  • CC potential
  • Hydrogen-bond
  • Molecular dynamics
  • Water
  • Abstract The present study is concerned with the formation and stability of
    hydrogen-bond structure for ice crystal in nanoscale. Molecular dynamics
    method is adopted to analyze the ice crystal formed by water molecules.
    In the molecular dynamics analysis, Newton’s second law of motion is
    applied for predictions of the motion of any molecules. Translational and
    angular velocities as well as the locations of all the molecules can be
    predicted at any instant when the inertial and external forces acting on the
    molecules have been known. The interactive forces between any two
    molecules are determined based on Carravetta-Clementi (CC) potential in
    this study. The van der Waals force and the electrostatic force are
    evaluated between water molecules and then the translational and angular
    velocity vectors and the position of the molecules can be predicted. The
    study includes: (1) the annealing of hydrogen-bond structure for ice
    crystal, (2) the influence of temperature on the vibration of the molecules
    within a fixed ice crystal layers, and (3) the leaping behavior of the
    drifting molecules on the crystal layer surface after they impinge on the
    surface at different temperatures and incident angles.
    Advisor Committee
  • Chin-Hsiang Cheng - advisor
  • Han-Taw Chen - co-chair
  • Yung-Ming Lee - co-chair
  • Files indicate in-campus access immediately and off-campus access at one year
    Date of Defense 2005-07-05 Date of Submission 2005-07-22


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