title: Self-Assembly and Water-like Anomalies in Janus Nanoparticles.
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.
authors.affiliation: †Campus Caçapava do Sul, Universidade Federal do Pampa, Av. Pedro Anunciação, 111, CEP 96570-000, Caçapava do Sul, RS, Brazil.
authors.forename: José Rafael
authors.initials: JR
authors.lastname: Bordin
authors.affiliation: ‡Campus Araranguá, Universidade Federal de Santa Catarina, Rua Pedro João Pereira, 150, CEP 88900-000, Araranguá, SC, Brazil.
authors.forename: Leandro B
authors.initials: LB
authors.lastname: Krott
authors.affiliation: §Instituto de Física, Universidade Federal do Rio Grande do Sul, Caixa Postal 15051, CEP 91501-970, Porto Alegre, RS, Brazil.
authors.forename: Marcia C
authors.initials: MC
authors.lastname: Barbosa
mesh_terms: D008956:Models, Chemical; D056004:Molecular Dynamics Simulation; D053758:Nanoparticles / Q000737:chemistry*; D011312:Pressure; D013696:Temperature; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water