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Molecular Dynamics Wulff Shape

  1. Jan 7, 2012 #1
    Say you have a simulation of a nano particle resting on a flat surface of metals. It is described by the effective medium theory. How do you find the free energy of a face to be used in the Wulff construction. A suggestion i got was to use periodic boundary conditions in all directions, find the energy and then take periodic boundary conditions in only 2 directions. Substract the energies and divide by the surface area.

    Anyone got an idea which only involve Statistical physics, thermal physics or Classical mechanics?
  2. jcsd
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