Patchy particles

Patchy particles are used as a shorthand for modelling anisotropic colloids,[1] proteins [4] and water[5] and for designing approaches to nanoparticle synthesis.

[7] Patchy particles of valency three or more experience liquid-liquid phase separation.

[8][9] Some phase diagrams of patchy particles do not follow the law of rectilinear diameters.

Using a continuous representation[8] of the discontinuous potential described above enables the simulation of patchy particles using molecular dynamics.

One simulation done involves a Monte Carlo method, where the best “move” ensures equilibrium in the particle.

In the grand-canonical ensemble, the system is in equilibrium with a thermal bath and reservoir of particles.

Another aggregation volume-bias move follows a method of randomly choosing a particle J that is bonded to I.

[1] By coating the surface of particles with highly anisotropic, highly directional, weakly interacting patches, the arrangement of the attractive patches can organize disordered particles into structures.

The coating and the arrangement of the attractive patches is what contributes to the size, shape, and structure of the resulting particle.

Monte Carlo simulations were performed to determine different forms of α, the faceting amount.

[2] The faceting amount, α, is used in the emergent valence self-assembly to determine what crystal structure will form.