[N]pT ensemble and finite-size scaling study of the GEM-4 critical isostructural transition

Abstract

First-order transitions of system where both lattice site occupancy and lattice spacing fluctuate, such as cluster crystals, cannot be efficiently studied by traditional simulation methods. These methods necessarily fix one of these two degrees of freedom, but this difficulty is surmounted by the generalized [N]pT ensemble [J. Chem. Phys. 136, 214106 (2012)]. Here it is shown that histogram reweighting and the [N]pT ensemble can be used to study an isostructural transition between cluster crystals of different occupancy in the generalized exponential model of index 4 (GEM-4). Extending this scheme to finite-size scaling studies also allows to accurately determine the critical point parameters and to verify that it belongs to the Ising universality class.

arXiv comment5 pages, 4 figures

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Cited by in corpus (9)

• Solidification in soft-core fluids: disordered solids from fast solidification fronts
• Hexatic phase and cluster crystals of two-dimensional GEM4 spheres
• A Monte Carlo method for chemical potential determination in single and multiple occupancy crystals
• Probing the existence of phase transitions in one-dimensional fluids of penetrable particles
• On the coarse-grained density and compressibility of non-ideal crystals: general theory and an application to cluster crystals
• Demixing cascades in cluster crystals
• Crystallisation of soft matter under confinement at interfaces and in wedges
• Cluster phases of penetrable rods on a line
• Nucleation and structural growth of cluster crystals