Computer Studies of the Physical Foundations of the Controlled Movement of Nanomachine Parts

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9900127ZengA systematic computational exploration of the behavior and properties of nanoscopic particles that could function as nanomachine parts is proposed. The study comprises three phases: (1) the mechanically controlled movement of nanoparticles over substrates; (2) the "lubrication" of nanoparticles by simple fluids; (3) chemical reactions mechanically induced by the movement of nanoparticles over one another. The principal tool is atomistic computer simulation based on Monte Carlo techniques.As technology for the construction of mechanical elements advances toward the nanoscale, the drive to build machines with controllable moving parts of nanoscopic dimension mounts. The operation of such machines is expected to be very different from their macroscopic coun-terparts. The goal of this research is to understand the fundamental basis for the behavior of nanomachine parts under the conditions likely to be necessary for their fabrication and for the effective functioning of the machines that they would make up.***