Phase transitions of a lattice model for patchy particles with tetrahedral symmetry

Abstract

We present a simple lattice model which gives account of the low-temperature phase equilibria of patchy particles with tetrahedral symmetry. Using such a model the phase diagram was computed as a function of the model parameters by means of Monte Carlo simulations. Depending on the details of the particle interactions, a low-density ordered phase with diamond structure can appear as a thermodynamically stable phase.

Keywords:

• patchy models
• simulation
• phase equilbria

Acknowledgements

The authors gratefully acknowledge the support from the Dirección General de Investigación Científica y Tecnica under Grants No. MAT2007-65711-C04-04 and FIS2010-15502, from the Dirección General de Universidades e Investigación de la Comunidad de Madrid under Grant No. S2009/ESP-1691 and Program MODELICO-CM and from CSIC under Grant No. 200980I099.