Algorithms to generate saturated random sequential adsorption packings built of rounded polygons.

Area of Science:

• Computational physics
• Materials science
• Statistical mechanics

Background:

• Random sequential adsorption (RSA) is crucial for modeling monolayers.
• Understanding packing densities of various shapes is essential for materials design.
• Previous studies focused on polygons without rounding, limiting applicability.

Purpose of the Study:

• To present an algorithm for generating saturated random sequential adsorption packings of rounded polygons.
• To investigate the packing densities of rounded regular polygons.
• To model irreversible adsorption processes of complex molecules.

Main Methods:

• Developed a novel algorithm for generating strictly saturated random sequential adsorption packings.
• Applied the algorithm to packings of rounded regular polygons (triangles to 25-gons).
• Analyzed packing fractions as a function of polygon sides and rounding radius.

Main Results:

• Packing fraction peaks for rounded regular triangles, unlike non-rounded polygons.
• Packing fractions approach the disk packing limit with increasing sides and rounding.
• Rounded polygon packings show slightly higher densities than disks, even for a 25-gon.

Conclusions:

• The algorithm enables the study of diverse packing properties and adsorption processes.
• Rounded triangles offer optimal packing density in this model.
• Rounding significantly influences packing fractions, bridging the gap towards disk-like behavior.