August 13 2002

Constant temperature MD of gold nanoshpere with 1409 atoms

Gold nanosphere with 1409 atoms were carved out from a gold bulk with fcc structure. It went through a constant temperature MD simulation with the fixed temperature of 950K. Unexpectedly, the internal structure collapsed from fcc to liquid like.

1. Total energy and potential energy vs. time with temperature and kinetic energy fixed

2. Radius of gyration (Mean distance of atoms to center of mass) vs. time

3. Bond order paramters for internal atoms