Phase coexistence of cluster crystals: beyond the Gibbs phase rule

Abstract

We report a study of the phase behavior of multiple-occupancy crystals through simulation. We argue that in order to reproduce the equilibrium behavior of such crystals it is essential to treat the number of lattice sites as a constraining thermodynamic variable. The resulting free-energy calculations thus differ considerably from schemes used for single-occupancy lattices. Using our approach, we obtain the phase diagram and the bulk modulus for a generalized exponential model that forms cluster crystals at high densities. We compare the simulation results with existing theoretical predictions. We also identify two types of density fluctuations that can lead to two sound modes and evaluate the corresponding elastic constants.

arXiv comment4 pages, 3 figures

References in corpus (5)

• The Ground State of a Two-Dimensional Electron Liquid in a Weak Magnetic Field
• Exact Criterion for Determining Clustering vs. Reentrant Melting Behavior for Bounded Interaction Potentials
• Why do ultrasoft repulsive particles cluster and crystallize? Analytical results from density functional theory
• Diffusion and Relaxation Dynamics in Cluster Crystals
• Evidence of a first order phase transition between Wigner crystal and Bubble Phases of 2D electrons in higher Landau levels

Cited by in corpus (29)

• Controlled self-assembly of periodic and aperiodic cluster crystals
• Computer Assembly of Cluster-Forming Amphiphilic Dendrimers
• Equilibrium Phase Behavior of a Continuous-Space Microphase Former
• Recent Advances in the Theory and Simulation of Model Colloidal Microphase Formers
• Cluster Luttinger Liquids of Rydberg-dressed Atoms in Optical Lattices
• Reentrant and Isostructural Transitions in a Cluster-Crystal Former
• Microscopically-resolved simulations prove the existence of soft cluster crystals
• Equilibrium phase behavior of the square-well linear microphase-forming model
• Microphase separation in two dimensional suspensions of self-propelled spheres and dumbbells
• Hexatic phase and cluster crystals of two-dimensional GEM4 spheres
• Fractal Heterogeneous Media
• Micellar Crystals in Solution from Molecular Dynamics Simulations
• Cluster Luttinger liquids and emergent supersymmetric conformal critical points in the one-dimensional soft-shoulder Hubbard model
• Monomer-resolved simulations of cluster-forming dendrimers
• A Monte Carlo method for chemical potential determination in single and multiple occupancy crystals
• Phonon dispersions of cluster crystals
• On the coarse-grained density and compressibility of non-ideal crystals: general theory and an application to cluster crystals
• Probing the existence of phase transitions in one-dimensional fluids of penetrable particles
• Demixing cascades in cluster crystals
• Monte Carlo Study of the Axial Next-Nearest-Neighbor Ising Model
• A Monte Carlo Approach for Studying Microphases Applied to the Axial Next-Nearest-Neighbor Ising and the Ising-Coulomb Models
• [N]pT Monte Carlo Simulations of the Cluster-Crystal-Forming Penetrable Sphere Model
• Colloidal ionic complexes on periodic substrates: ground state configurations and pattern switching
• [N]pT ensemble and finite-size scaling study of the GEM-4 critical isostructural transition
• Melting of a two-dimensional monodisperse cluster crystal to a cluster liquid
• On the stress overshoot in cluster crystals under shear
• Continuum mechanics for the elastic properties of crystals: Microscopic approach based on projection-operator formalism
• Crystalline free energies of micelles of diblock copolymer solutions
• Elasticity in crystals with high density of local defects : insights from ultra-soft colloids