4_4/set.11
General
- Tube: (4,4) tube, 5 unit cells, one vacancy (79 atoms)
- Temperature: 1500.0 K
- Time step: 1 hbar/eV
- Iterations: 46000
- Propagation time: 46000.000 hbar/eV (30.277 ps)
- Lattice constant: (12.369440, 16.162653)
- Velocity: 0.12528 Ang/ps
Runs
- run.1:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.2:
Temperature,
Pot. energy,
Movie,
The back part of the right side gets connected to the front part of the left side (does not break).
- run.3:
Temperature,
Pot. energy,
Movie,
The tubes are connected by a quite complicated structure. At the end this structure is broken leaving only one long wire (does not break).
- run.4:
Temperature,
Pot. energy,
Movie,
Very long double wire, that ends up by breaking.
- run.5:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.6:
Temperature,
Pot. energy,
Movie,
Almost the whole tube is converted into a double wire. Quite spectacular (does not break).
- run.7:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.8:
Temperature,
Pot. energy,
Movie,
Nine wire chain, that ends up by breaking. At the beginning, part of the tube seems to reduce diameter.
- run.9:
Temperature,
Pot. energy,
Movie,
The central part of the tube is almost transformed into a grphene sheet, that then evolves into a very long double chain. This chain ends up by breaking (the longest side had nine atoms).
- run.10:
Temperature,
Pot. energy,
Movie,
Seems that a double chain is formed.
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