Title page for ETD etd-01242006-113255


Type of Document Master's Thesis
Author Wang, Shengyu
Author's Email Address swang8@lsu.edu
URN etd-01242006-113255
Title Molecular Dynamics Simulation Study of Grain Boundary Migration In Nanocrystalline Pd
Degree Master of Science in Mechanical Engineering (M.S.M.E.)
Department Mechanical Engineering
Advisory Committee
Advisor Name Title
Dorel Moldovan Committee Chair
Harris Wong Committee Member
Wen Jin Meng Committee Member
Keywords
  • molecular dynamics simulation
  • grain boundary
  • nanocrystalline Pd
Date of Defense 2005-08-22
Availability unrestricted
Abstract
We present a new methodology for measuring the grain boundary mobility for curved boundaries using molecular-dynamics simulation of grain growth in a small, specifically tailored Pd nanocrystalline structure. In the model system, the boundaries move under the forces provided by their curvature and in the presence of the triple junctions. As a consequence of grain boundary migration the boundary area per unit volume is reduced and the mean grain size of grains increases with time. Our investigation shows that at elevated temperatures the activation energy for grain growth in this specifically tailored microstructure is very close to that of grain boundary diffusion. These findings suggest that the migration mechanism of curved grain boundaries might be mediated by short distance diffusion of atoms in the grain boundaries.
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