April 24 2003

Standard deviations of bond curvature and local larger curvature

Standard deviations have been calculated for normalized bond curvature distributions and local large curvature distributions at each temperture of 100K, 200K, ..., 1500K and 1010K, 1020K, ..., 1090K. The melting temperature is between 1080K and 1090K. The simulations have been carried out by Andersen Thermostat.

I don't know if we can still say the faceting transition is second order since the standard deviations reduce quickly around melting temperature. Both plots show the onset temperature of standard-deviation changing is 1040K (close to the changing temperature of bond order parameters of surface layer). There is a big jump between 1080K and 1090K, where melting resides.

There is a small plateau between 1070K and 1080K, just befor the melting. Can it be mapped to the intermediate meta-stable state of gold nanorods?

Bond Curvature

Local larger curvature