The effect of surface relaxation and atomic vibration on the equilibrium shape of gold and copper crystallites

The free energy of surfaces along the pole in gold and copper is determined to assess the effect of surface relaxation and atomic vibration on the equilibrium crystal shape of gold and copper. The Wulff construction is performed on the γ-plots to determine the equilibrium shape of gold and copper crystallites at different temperatures. It is shown that surface relaxation and atomic vibration do not have any discernible effect on the equilibrium shape of EAM gold or copper crystallites. The equilibrium shape of EAM gold crystallites is formed entirely from {111} and {100} facets, while that of EAM copper shows small {110} facets in addition to the {111} and {100} facets.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/42961/1/10820_2004_Article_BF00708709.pd