Tabular Potentials for Monte Carlo Simulation of Supertoroids with Short-Range Interactions

Area of Science:

• Computational physics and materials science.
• Colloid and interface science.

Background:

• Advances in synthesizing anisotropic colloids necessitate improved simulation methods.
• Existing methods for superquadric potentials are extended to include ring-like shapes.

Purpose of the Study:

• To develop a methodology for constructing tabular potentials of supertoroids.
• To enable simulations of complex particle shapes and interactions.

Main Methods:

• Calculating the volume of overlap for supertoroids at various positions and orientations.
• Extending a previously published algorithm to handle multiple, disconnected overlap volumes and nonidentical particles.

Main Results:

• Successfully produced tabular potentials for supertoroids and ring-like shapes.
• Algorithm now supports particles with multiple, disconnected overlap volumes.
• Methodology accommodates nonidentical particles.

Conclusions:

• The developed algorithmic extensions enable Monte Carlo simulations for a wider range of particle shapes.
• This facilitates the prediction of thermodynamic properties for complex colloidal systems under various conditions.