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Self-Assembly and Water-like Anomalies in Janus Nanoparticles. | LitMetric

Self-Assembly and Water-like Anomalies in Janus Nanoparticles.

Langmuir

§Instituto de Física, Universidade Federal do Rio Grande do Sul, Caixa Postal 15051, CEP 91501-970, Porto Alegre, RS, Brazil.

Published: August 2015

AI Article Synopsis

  • This study investigates the phase behavior of dimeric Janus nanoparticles using molecular dynamics simulations, focusing on how different interactions affect their properties.
  • The nanoparticles consist of two types of monomers: one interacts via a Lennard-Jones potential and the other via a core-softened potential, mimicking the behavior of water's density and diffusion anomalies.
  • The findings reveal that when combining both types of monomers, the diffusion anomaly persists, while the density anomaly may vary based on the characteristics of the nonanomalous monomer, influencing the nanoparticles' self-assembly structures.

Article Abstract

We explore the pressure versus temperature phase diagram of a system of dimeric Janus nanoparticles using molecular dynamics simulations. Each nanoparticle is modeled as a dumbbell which has one monomer that interacts by a standard Lennard-Jones potential while the other monomer interacts by a core-softened potential. The systems composed by particles interacting only by core-softened potential exhibit the density and the diffusion anomalous behavior observed in water while if the particles interact only by the Lennard-Jones potential no anomaly is present. Here we explore if the anomalous behavior is present when half of the particles are modeled by a core-softened potential and half with Lennard-Jones potential. We show that the diffusion anomaly is preserve, while the density anomaly can disappear depending on the nonanomalous monomer characteristics. We also show that the self-assembly structures characteristics of the dumbbell systems are affected by the balance between core-softened and non-core-softened monomers.

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Source
http://dx.doi.org/10.1021/acs.langmuir.5b01555DOI Listing

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