Low-temperature ordering of the dimer phase of a two-dimensional model of core-softened particles

Purely pairwise interactions of the core-softened type, i.e., featuring a soft repulsion followed by a hard-core interaction at shorter distance, give rise to nontrivial equilibrium structures entirely different from the standard close packing of spheres. In particular, in a suitable low-temperature region of their phase diagram, such interactions are well known to favor a transition from a fluid to a cluster crystal. The residual mutual interaction between individual clusters can lead to the formation of patterns of their reciprocal orientations. In this work, we investigate two examples of such models in two dimensions, at the density most appropriate to the dimer phase, whereby clusters consist of just two particles, studying them with optimization techniques and Monte Carlo simulations. We focus on the dimer crystal, and unveil a second phase transition at extremely low temperature. This transition leads from a triangular dimer lattice with randomly disordered dimer orientations at high temperature to a reduced-symmetry ground state with nematic orientational order and a slightly distorted structure characterized by a centered-rectangular lattice at low temperature.

Automated summary

In this study, we investigated the pairwise interactions of clusters consisting of two particles in two dimensions at a suitable density, using optimization techniques and Monte Carlo simulations. We found a second phase transition at extremely low temperature, leading from a high-temperature triangular dimer lattice with randomly disordered orientations to a low-temperature reduced-symmetry ground state with nematic orientational order and a slightly distorted structure.