Confinement effects on the properties of Janus dimers

Abstract

Confinement has been suggested as a tool to tune the self-assembly properties of nanoparticles, surfactants, polymers and colloids. In this way, we explore the phase diagram of Janus nanoparticles using Molecular Dynamics simulations. The nanoparticle was modeled as a dimer made by one monomer that interacts by a standard Lennard Jones potential and another monomer that is modeled using a two-length scale shoulder potential. This specific design of nanoparticle exhibits in bulk distinct self-assembled structures and water-like diffusion anomaly. Our results indicate that besides the aggregates observed in bulk, new structures are observed under confinement. Also, the dynamic and thermodynamic behavior of the fluid phase are affected. The systems show a reentrant fluid phase and density anomaly. None of these two features were observed in bulk. Our results show that geometrical confinement leads to new structural, thermodynamical and dynamical behavior for this Janus nanoparticle.

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Cited by in corpus (5)

• Waterlike anomalies in a 2D core-softened potential
• Distinct aggregation patterns and fluid porous phase in a 2D model for colloids with competitive interactions
• Anomalous diffusion and diffusion anomaly in confined Janus dumbbells
• Waterlike anomalies in hard core-soft shell nanoparticles using a effective potential approach: pinned vs adsorbed polymers
• Molecular Dynamic study of model two-dimensional systems involving Janus dumbbells and spherical particles