Triangles on a triangular lattice: Insights into self-assembly in two dimensions driven by shape complementarity

A series of models for reversible filling of a triangular lattice with equilateral triangles has been developed and investigated. There are eight distinct models that vary in the set of prohibitions. In zeroth approximation, these models allow one to estimate the influence of the particles' shape and complementarity of their pair configurations on the self-assembly of dense monolayers formed by reversible filling. The most symmetrical models were found to be equivalent to hard-disk models on the hexagonal lattice. When any contact of hard triangles by vertices is prohibited, the dense monolayers are disordered, and their entropy tends to the constant. If only one pair configuration is prohibited, the close-packed layer appears through the continuous phase transition. In other cases, the weak first-order transition resulting in the self-assembly of close-packed layers is observed.