Molecular Dynamic study of model two-dimensional systems involving Janus dumbbells and spherical particles

Abstract

We have performed an extensive constant temperature Molecular Dynamics study of two-dimensional systems involving Janus dumbbells and spherical particles. Janus dumbbells have been modelled as two spheres, labeled 1 and 2, joined together via harmonic bonds. Sphere 1 of a selected Janus dumbbell attracts the spheres of the same kind on other Janus dumbbells, while the interactions between the pairs 1-1 and 1-2 were repulsive. On the other hand, the spherical particles are attracted by centers 2 and repelled by the centers 1 of Janus particles. We have shown that the structure of oriented phases that can be formed in the system depends on the bond length of Janus dumbbells and the ratio of the number of spherical particles to the number of Janus dumbbells in the system. The presence of spherical particles is necessary to develop oriented phases. For the assumed model, the formation of oriented phases in the system depends on the concentration of spherical particles. Equal numbers of Janus and spherical particles create optimal conditions for the formation of lamellar phases.

Keywords

• monolayers
• mixture of janus dumbbells and spheres
• lamellar phases
• molecular dynamics
• structural properties