September 12 2002

Gold nanosphere with 603 atoms equilibrated at 300K and 400K

The gold nanosphere with 603 atoms were equilibrated at 300K and 400K seperately. It went through constant temperature MD for 108 steps (430ns).

1. 300K:

Kinetic energy and temperature:

Radius of gyration:

Bond order parameters for internal atoms:

 

2. 400K:

Kinetic energy and temperature:

Radius of gyration:

Bond order parameters for internal atoms: