June 25 2003

Rod (2624 atoms) side shape change at 460K

The instantaneous configuration at T=468K of the rod with 2624 atoms went through constant T MD at T=460K for 36ns. The shape change was monitored by the radius of gyration

There are 45 configurations collected in region A and 600 configurations have been used to calculate the avergae side shape in region B. The atoms at two edges were excluded from the calculations. All other surface atoms were counted in.

Distribution of side surface atoms in region A

Distribution of side surface atoms in region B

The 2*Pi angle was divided in to 100 pieces and the average position was taken out for each angular piece.

Average shape of region A and B