|
FineMotionController_1
This simulation was created for beta testing the NanoHive@Home software. The simulation simply tests the molecular stability of the fine-motion controller for molecular assembly (FMC), designed by Dr. K. Eric Drexler. The FMC is a mechanism that facilitates finely adjusted movements of a platform. These movements are effected by rotating one or more of eight rings, each connected to a strut connected to the platform. The result is the ability to finely control the platform position in the x, y, z, roll, pitch, and yaw degrees of motion.
Testing the stability of molecules and molecular assemblies, such as the FMC, is a common phase of design since it is sometimes hard to predict the conformational tendencies of complex structures at design-time.
Status
Testing with this mode of simulation has completed. While instrumental in testing the NHAH software, none of the results were particularly worthy of putting in the Results gallery.
Details
| Time Quantum Length | 5e-16 s | Real time length of each iteration. |
| Environment Temperature | 300 K | Room temperature. |
| Target # Iterations | 10000 | |
| Distribution |
| Cell Length | 2.5e-10 m |
| Cell Cutoff Distance | 4.66e-10 m |
| Maximum Atoms Per Cell | 40 | |
| Level of Theory |
| Quantum Mechanics Engine | MPQC_SClib | Based on Sandia's MPQC |
| Basis Set | STO-3G | |
| Method | Hartree-Fock | |
| Desired Energy Accuracy | 1.0e-5 | 5 decimal places. |
| Max Energy Convergence Attemps | 10 | In batches of 100. |
|