Molecular dynamics simulations of Janus nanoparticle assembly at interfaces

We study the formation of clusters of nano-sized Janus particles (having surface regions with different interactions) at a liquid-vapor interface using molecular dynamics simulations. The individual particles are modeled as rigid spherical sections of an atomic lattice, with short ranged atom-atom interactions chosen to selectively attract subregions of the particle surface, and with a solid-liquid interaction favoring a 90 degree contact angle at the liquid interface. The simulations automatically incorporate the competition between Brownian motion, fluid convection and molecular attraction, as well as evaporation of the liquid if desired. We study the distribution and shape of the clusters found in equilibrium, and the structures resulting when the solvent evaporates.