We present a numerical study on the phase diagram for a simple model of Janus colloids, including ordered and disordered structures. Using a range of techniques, we generate a set of crystal structures and investigate their relative stability field in the pressure-temperature and temperature-density planes by means of free-energy calculations and thermodynamic integration schemes. We find that despite the Janus colloids' simple architecture, they form stable crystal structures with complicated bond-topologies on an underlying face-centered-cubic or hexagonal-close-packed lattice. In addition, we find a phase consisting of wrinkled bilayer sheets, competing with both the fluid and the crystal phases. We detect a metastable gas-liquid coexistence which displays a micellization-driven re-entrant behavior. © 2013 AIP Publishing LLC.
Predicting crystals of Janus colloids / Vissers, Teun; Preisler, Zdenek; Smallenburg, Frank; Marjolein, Dijkstra; Sciortino, Francesco. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 138:16(2013), p. 164505. [10.1063/1.4801438]
Predicting crystals of Janus colloids
VISSERS, TEUN;PREISLER, ZDENEK;SMALLENBURG, FRANK;SCIORTINO, Francesco
2013
Abstract
We present a numerical study on the phase diagram for a simple model of Janus colloids, including ordered and disordered structures. Using a range of techniques, we generate a set of crystal structures and investigate their relative stability field in the pressure-temperature and temperature-density planes by means of free-energy calculations and thermodynamic integration schemes. We find that despite the Janus colloids' simple architecture, they form stable crystal structures with complicated bond-topologies on an underlying face-centered-cubic or hexagonal-close-packed lattice. In addition, we find a phase consisting of wrinkled bilayer sheets, competing with both the fluid and the crystal phases. We detect a metastable gas-liquid coexistence which displays a micellization-driven re-entrant behavior. © 2013 AIP Publishing LLC.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.