4_4/set.10
General
- Tube: (4,4) tube, 5 unit cells, one vacancy (79 atoms)
- Temperature: 320.0 K
- Time step: 1 hbar/eV
- Iterations: 150000
- Propagation time: 150000.000 hbar/eV (98.730 ps)
- Lattice constant: (12.369440, 18.554119)
- Velocity: 0.06264 Ang/ps
Runs
- run.1:
Temperature,
Pot. energy,
Movie,
Four atom wire (does not break).
- run.2:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.3:
Temperature,
Pot. energy,
Movie,
Six atom wire (seems to break, but it's not clear).
- run.4:
Temperature,
Pot. energy,
Movie,
Sort two atom wire (does no break).
- run.5:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.6:
Temperature,
Pot. energy,
Movie,
Short wire (does not break).
- run.7:
Temperature,
Pot. energy,
Movie,
Short wire (does not break).
- run.8:
Temperature,
Pot. energy,
Movie,
Long double wire, then single six atom wire (does not break).
- run.9:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.10:
Temperature,
Pot. energy,
Movie,
Four atom wire (does not break).
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