Analytical Interaction Potential for Lennard-Jones Rods
arxiv(2024)
Abstract
An analytical form has been derived using Ostrogradski's integration method
for the interaction between two thin rods of finite lengths in arbitrary
relative configurations in a 3-dimensional space, each treated as a line of
material points interacting through the Lennard-Jones 12-6 potential.
Simplified analytical forms for coplanar, parallel, and collinear rods are also
derived. Exact expressions for the force and torque between the rods are
obtained. Similar results for a point particle interacting with a thin rod are
provided. These interaction potentials can be widely used for analytical
descriptions and computational modeling of systems involving rod-like objects
such as liquid crystals, colloids, polymers, elongated viruses and bacteria,
and filamentous materials including carbon nanotubes, nanowires, biological
filaments, and their bundles.
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