The mechanical behavior of molecular systems
Molecular mechanics methods can be used to analyze a variety of moving parts, including symmetrical bearings with low energy barriers (<< kT300), corresponding to extremely low static friction. Dynamical simulations in this section contrast stiff molecular structures to floppy molecules of the sort familiar to today’s organic chemists.
Stiff vs. floppy molecular structures:
Most large molecules made by conventional synthesis are floppy
Large molecules made by mechanosynthesis can be stiff
Dynamical simulation illustrates the behavior of a floppy molecule
Dynamical simulation illustrates the behavior of a stiff molecule
Dynamical simulation shows a fast-moving ring
Atomic interactions in sliding interfaces:
Stiffly supported sliding atoms have a smooth interaction potential
Softly supported sliding atoms can undergo abrupt transitions in energy
Simple mechanical devices:
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2004
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