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

9900127对可用作纳米机械部件的纳米颗粒的行为和性质进行了系统的计算探索。这项研究包括三个阶段：(1)纳米颗粒在衬底上的机械控制运动；(2)简单流体对纳米颗粒的“润滑”；(3)纳米颗粒在彼此之间移动而机械引发的化学反应。主要的工具是基于蒙特卡罗技术的原子计算机模拟。随着机械元件制造技术向纳米级发展，制造具有纳米尺度可控运动部件的机器的驱动力增强。预计这类机器的操作将与它们的宏观部件有很大不同。这项研究的目标是了解纳米机械部件在可能是制造它们所必需的条件下行为的基本基础，以及它们所组成的机器的有效运行。

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.***