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 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
Elastic Modulii, Stiffness, and Thermal Fluctuations
Atomic interactions in sliding interfaces:
Stiffly supported sliding atoms have a smooth interaction potential
Softly supported sliding atoms can undergo abrupt transitions in energy
