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Cluster Crystals Stabilized by Hydrophobic and Electrostatic Interactions
A Baumketner1, A Stelmakh2, W Cai3
1Institute for Condensed Matter Physics , NAS of Ukraine , 1 Svientsistsky Street , Lviv 79011 , Ukraine.
The Journal of Physical Chemistry. B
|February 13, 2018
Summary
Researchers identified specific colloid interactions that enable the formation of stable cluster crystals at room temperature. These findings pave the way for creating novel materials using hydrophobic attraction and electrostatic repulsion.
Area of Science:
- Materials Science
- Colloid Science
- Statistical Mechanics
Background:
- Cluster crystals are formed by multiple particles per site, with two main classes based on interparticle potentials.
- Understanding systems with non-interpenetrating particles and potentials diverging at the origin is key.
Purpose of the Study:
- To identify systems capable of forming stable cluster crystals at room temperature.
- To investigate the role of hydrophobic attraction and electrostatic repulsion in cluster crystal formation.
Main Methods:
- Analytical modeling and Monte Carlo simulations to establish potential properties.
- Development of a colloid model with hydrophobic and electrostatic interactions.
- Replica-exchange molecular dynamics simulations to confirm cluster crystal stability and transition temperatures.
Main Results:
- Several colloid models with appropriate interaction potentials were identified.
- Cluster crystals were confirmed as stable low free-energy states for specific potentials.
- Simulations demonstrated stable crystalline conformations below the transition temperature.
Conclusions:
- Hydrophobic and electrostatic interactions are sufficient to induce cluster crystal assembly.
- Identified models provide candidates for experimental realization of cluster crystals.
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