4_4/set.13
General
- Tube: (4,4) tube, 5 unit cells, one Stone-Wales defect (80 atoms)
- Temperature: 320.0 K
- Time step: 1 hbar/eV
- Iterations: 61500
- Propagation time: 61500.000 hbar/eV (40.479 ps)
- Lattice constant: (12.369440, 17.440828)
- Velocity: 0.12528 Ang/ps
Runs
- run.1:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.2:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.3:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.4:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.5:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.6:
Temperature,
Pot. energy,
Movie,
A (double) wire is almost formed, but tube breaks quickly afterwards.
- run.7:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.8:
Temperature,
Pot. energy,
Movie,
Tube breaks emmiting a couple of C2.
- run.9:
Temperature,
Pot. energy,
Movie,
Tube tried to form a wire, but ends up by breaking (too hot?).
- run.10:
Temperature,
Pot. energy,
Movie,
Finally a wire is formed. But it's too hot, and I bet it would break soon.
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