Platonic Solid Self-assembly Input File Writing

Platonic solid self-assembly includes 10 models, each requiring a separate function. The names of the functions are listed in the following table:

Platonic Solid

Center-of-Mass Position

Name of Function

Tetrahedron (4-face)

Each Face

tetr_face(radius, sigma)

Tetrahedron (4-face)

Each Vertex

tetr_vert(radius, sigma)

Cube (6-face)

Each Face

cube_face(radius, sigma)

Cube (6-face)

Each Vertex

cube_vert(radius, sigma)

Octahedron (8-face)

Each Face

octa_face(radius, sigma)

Octahedron (8-face)

Each Vertex

octa_vert(radius, sigma)

Dodecahedron (12-face)

Each Face

dode_face(radius, sigma)

Dodecahedron (12-face)

Each Vertex

dode_vert(radius, sigma)

Icosahedron (20-face)

Each Face

icos_face(radius, sigma)

Icosahedron (20-face)

Each Vertex

icos_vert(radius, sigma)
Description:

Generates NERDSS input files (.inp and .mol files) for Platonic solid self-assembly systems.

Parameters:

  • radius (float): The radius of the Platonic solid in nm, defined as the distance from the center of the Platonic solid to each vertex.

  • sigma (float): The distance of each interface when a reaction takes place in nm.