May 02 2007
Qausi-equilbiurm heating of {100} rod with a fixed core (5 layers)
The core of the {100} rod has been fixed so that only the 5 outmost layers
can move. It was heated up step by step with the temperature interval of 100K.
At each temperature 10^6 MD steps have been performed.
Average shapes
Surface and Cross-section pictures
They are the last configurations at each temperature. Brown spheres represent
fixed core atoms. For surface, golden atoms represent {111} facets, green
atoms represent {100} atoms, and gray atoms are others. For interior,
golden atoms have a local fcc structure, green atoms have a local hcp
structure, and gray atoms have neither.
| T |
Surface |
Cross-section |
| 100K |
 |
 |
| 200K |
 |
 |
| 300K |
 |
 |
| 400K |
 |
 |
| 500K |
 |
 |
| 600K |
 |
 |
| 700K |
 |
 |
| 800K |
 |
 |
| 900K |
 |
 |
| 1000K |
 |
 |
| 1100K |
 |
 |
| 1200K |
 |
 |