Carbon Nanotube Gear Simulations
Carbon Nanotube Gear SimulationsThese are datasets associated with the simulation runs from the study "Molecular Dynamics Simulation of Carbon Nanotube Based Gears".
These datasets may be duplicated and redistributed as long as the proper reference is given to the authors:
Jie Han,
NASA Ames Research Center
Al Globus,
MRJ, Inc. at
NASA Ames Research Center
Richard Jaffe,
NASA Ames Research Center
Glenn Deardorff,
Sterling Software, at
NASA Ames Research Center
Animating XYZ Files*
| Name | Description | Input | Output | XYZ (Mb) * | Initial Step * | MPEG (Mb) |
|---|---|---|---|---|---|---|
| Gear Synthesis | Collisions of Benzyne with Nanotubes and Buckyballs | |||||
| Ballv02 | slow non-reactive C60-benzyne collision | 
|
|
 0.5
| Step 1 |
 0.4
|
| Ballv05 | faster reactive C60-benzyne collision |
|
|
0.4
| Step 1 |
0.3
|
| Ballv15 | fast dissociative C60-benzyne collision |
|
|
0.7
| Step 1 |
0.7
|
| Tubev03 | slow non-reactive nanotube-benzyne collision |
|
|
0.6
| Step 1 |
0.2
|
| Tubev06 | faster reactive nanotube-benzyne collision |
|
|
0.8
| Step 1 |
0.3
|
| Tubev065 | parallel reactive nanotube-benzyne collision |
|
|
0.7
| Step 1 |
0.2
|
| Nominal Gear Model | Rotation of Gears in Vacuum | |||||
| NEV 1 | 0 - 50 picosec; .2 rpps |
|
|
4.7
| Step 1 |
1.1
|
| NEV 2 | 50 - 100 picosec; .4 rpps |
|
|
4.7
| Step 1 |
1.1
|
| NEV 3 | 100 - 138.5 picosec; .6 rpps |
|
|
3.7
| Step 1 |
0.8
|
| NEV 1 to 3 | whole simulation |
|
|
|
|
3.0
|
| Nominal Gear Model | Gear Rotation at Room Temperature | |||||
| NVT 1 | 0 - 40 picosec; .05 rpps |
|
|
3.8
| Step 1 |
0.9
|
| NVT 2 | 40 - 80 picosec; .07 rpps |
|
|
3.8
| Step 1 |
0.9
|
| NVT 3 | 80 - 120 picosec; 0.1 rpps |
|
|
3.8
| Step 1 |
0.9
|
| NVT 1 to 3 | whole simulation |
|
|
|
|
2.7
|
| Nominal Gear Model | Teeth Slip | |||||
| NVT 4 Slip 1 | rotation rate > 0.1 rpps |
|
|
9.4
| Step 1 |
2.2
|
| NVT 4 Slip 2 | Brenner's reactive potential used |
|
|
4.7
| Step 1 |
1.3
|
| NVT 4 Slip 3 | electrostatic interaction simulated |
|
|
4.7
| Step 1 |
1.3
|
| NVT 3h | Slip 1, with 2x frame rate |
|
|
9.4
| Step 1 |
2.2
|
| Nominal Gear Model | Long shafts | |||||
| NVT 5h | 0.05 rpps, 20 ps |
|
|
9.2
| Step 1 |
1.4
|
| NVT Long, 1 | >0.05 rpps, 100 ps, part 1 |
|
|
46.0
| Step 1 |
3.3
|
| NVT Long, 2 | 0.05 rpps, 100 ps, part 2 |
|
|
46.0
| Step 1 |
3.4
|
| Multiple Teeth Gears | ||||||
| 21, part 1 | on-line, part 1 |
|
|
5.8
| Step 1 |
1.7
|
| 21, part 2 | on-line, part 2 |
|
|
5.8
| Step 1 |
see above |
| 21 slip 1 | on-line, slip |
|
|
5.4
| Step 1 |
1.1
|
| 22, part 1 | off-line, part 1 |
|
|
5.8
| Step 1 |
1.7
|
| 22, part 2 | off-line, part 2 |
|
|
5.8
| Step 1 |
see above |
| 22 slip 2 | off-line, slip |
|
|
5.4
| Step 1 |
1.1
|
| Gear and Shaft | ||||||
| Shaft 1 | powered gear drives shaft |
|
|
7.6
| Step 1 |
0.4
|
| Shaft 2 | powered shaft drives gear |
|
|
6.3
| Step 1 |
0.4
|
| Small and Large Gears | ||||||
| Small-Large | powered small gear |
|
|
9.4
| Step 1 |
1.9
|
| Large-Small | powered large gear |
|
|
9.4
| Step 1 |
2.3
|
| Large-Small 1 | powered large gear, medium rate |
|
|
9.4
| Step 1 |
2.7
|
| Large-Small 2 | powered large gear, high rate |
|
|
9.4
| Step 1 |
2.2
|
About the MPEG Animations
WebWork: Glenn Deardorff
