Zero temperature phase diagram of the square-shoulder system
arXiv:0808.0687 · doi:10.1063/1.3006065
Abstract
Particles that interact via a square-shoulder potential, consisting of an impenetrable hard core with an adjacent, repulsive, step-like corona, are able to self-organize in a surprisingly rich variety of rather unconventional ordered structures. Using optimization strategies that are based on ideas of genetic algorithms we encounter, as we systematically increase the pressure, the following archetypes of aggregates: low-symmetry cluster and columnar phases, followed by lamellar particle arrangements, until at high pressure values compact, high-symmetry lattices emerge. These structures are characterized in the NPT ensemble as configurations of minimum Gibbs free energy. Based on simple considerations, i.e., basically minimizing the number of overlapping coronae while maximizing at the same time the density, the sequence of emerging structures can easily be understood.
Submitted to J. Chem. Phys
References in corpus (19)
- Dynamical Arrest in Attractive Colloids: The Effect of Long-Range Repulsion
- Core-softened potentials and the anomalous properties of water
- Exact Criterion for Determining Clustering vs. Reentrant Melting Behavior for Bounded Interaction Potentials
- Fluid and solid phases of the Gaussian core model
- Phase behavior of a system of particles with core collapse
- Liquid State Anomalies for the Stell-Hemmer Core-Softened Potential
- Why do ultrasoft repulsive particles cluster and crystallize? Analytical results from density functional theory
- Soft Spheres Make More Mesophases
- Structural Order for One-Scale and Two-Scale Potentials
- Quasi-binary amorphous phase in a 3D system of particles with repulsive-shoulder interactions
- A Family of Tunable Spherically-Symmetric Potentials that Span the Range from Hard Spheres to Water-like Behavior
- Static and Dynamic Anomalies in a Repulsive Spherical Ramp Liquid: Theory and Simulation
- Columnar and lamellar phases in attractive colloidal systems
- Freezing and clustering transitions for penetrable spheres
- Minimum energy configurations of repelling particles in two dimensions
- Multi-scale coarse-graining of diblock copolymer self-assembly: from monomers to ordered micelles
- Lane-formation vs. cluster-formation in two dimensional square-shoulder systems: A genetic algorithm approach
- Monte-Carlo simulation of string-like colloidal assembly
- Formation of Polymorphic Cluster Phases for Purely Repulsive Soft Spheres
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- Predicting Patchy Particle Crystals: Variable Box Shape Simulations and Evolutionary Algorithms
- The zero-temperature phase diagram of soft-repulsive particle fluids
- Complex Phase Behavior of The System of Particles with Smooth Potential with Repulsive Shoulder and Attractive Well
- Liquid crystal phase and waterlike anomalies in a core-softened shoulder-dumbbells system
- Structure of the square-shoulder fluid
- Unveiling the complex glassy dynamics of square shoulder systems: simulations and theory
- Self-assembly of binary nanoparticle dispersions: from square arrays and stripe phases to colloidal corrals
- Competing ordered structures formed by particles with a regular tetrahedral patch decoration
- Particle Monte Carlo simulation of string-like colloidal assembly in 3 dimensions
- Particle Monte Carlo simulation of string-like colloidal assembly in 2 dimensions
- From Lumps to Lattices: Crystallized Clots Made Simple
- Phase diagram of SALR fluids on spherical surfaces
- Low-temperature crystal structures of the hard core square shoulder model
- Self-assembly of core-corona particles confined in a circular box
- Elastic deformations of loaded core-shell systems
- Theoretical approaches to the structural properties of the square-shoulder fluid
- Formation of a New Archetypal Metal-Organic Framework from a Simple Monatomic Liquid
- Temperature Expansions in the Square Shoulder Fluid II: Thermodynamics
- The Square-Shoulder-Asakura-Oosawa model
- Ordered ground state configurations of the asymmetric Wigner bilayer system -- revisited: an unsupervised clustering algorithm analysis