September 19 2003
Equilibrium heating of rod 2624
Radius of Gyration
Gold nanorod with 2624 atoms have been through constant temperature
MD from 100K to 1200K with the step of 100K and equilibrating for 10^7 steps
(43ns) at each temperature. The radii of gyration of each temperature have
been concatenated in one plot. Each piece is the equilibration
at the temperature specified left.
The radius of gyration from the simulation of continuous heating of
rod 2624 has also been put on the plot for comparison. Note the temperature
of this plot is continuous.
Side Equilibrium Shape
At each temperature of the equilibrium heating, the side atoms have been
projected in 2D along z axis with the edges cut off. All the positions of
the atoms have been averaged by the circular angles.
Interior Bond Order Parameters
Equilibrium Heating
Continuous Heating
