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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 Date of Defense 2005-07-05 Date of Submission 2005-07-22