NASA Sponsored Computational Nanotechnolology Project

Atomistic Design and Simulations of Nanoscale Machines and Assembly

  • Nanotechnology Report 1998
  • Nanotechnology Report 1997
  • Nanotechnology Final Report (1999)

    Contributed Papers from MSC to 5th Foresight Conference on Molecular Nanotechnology
    Contributed Papers from MSC to 6th Foresight Conference on Molecular Nanotechnology.
    Contributed Papers from MSC to 7th Foresight Conference on Molecular Nanotechnology.

    Molecular Planetary Gear

    Molecular mechanics and molecular dynamics studies are carried out at the MSC by Tahir Cagin, Guaghua Gao, Jinsong Hu and W. A. Goddard III on the Molecular Planetary Gear proposed by R. Merkle and E. Drexler. These all atom simulations employed Dreiding Parameters for the interactions.

    Still views of the molecular planetary gear


    Molecular Dynamics Simulation of Planetary Gear

    The MD simulation initiated by a rotational impulse to the input unit. In the course of simulation this angular momentum is slowly transferred to the output unit.

    Over 12.0 picoseconds simulation, the input unit completes one full cycle and the output unit completes almost a half cycle and the rail completes a quarter cycle. Over the run the initial angular kinetic energy partially dissipates through conversion into thermal energy via atomic collisions

    Movies of the Molecular Dynamics Simulation:

    (7.5 MB, 468x448 pixels, 93 frames)

    (20 MB, 428x398 pixels, 240 frames)

    The two movies represent the same dynamics trajectory calculation over its full duration, but the second includes more intermediate frames.

    The MPEG movies were generated by Jim Kendall from a dynamics trajectory run by Tahir Cagin. Cerius2 molecular dynamics software was used to calculate the trajectory.

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