• Core-softened fluids, water-like anomalies, and the liquid-liquid critical points 

      Torres, Evy Augusto Salcedo; Oliveira, Alan Barros de; Barraz Junior, Ney Marçal; Chakravarty, Charusita; Barbosa, Marcia Cristina Bernardes (2011) [Artigo de periódico]
      Molecular dynamics simulations are used to examine the relationship between water-like anomalies and the liquid-liquid critical point in a family of model fluids with multi-Gaussian, core-softened pair interactions. The ...
    • Diffusion enhancement in core-softened fluid confined in nanotubes 

      Bordin, José Rafael; Oliveira, Alan Barros de; Diehl, Alexandre; Barbosa, Marcia Cristina Bernardes (2012) [Artigo de periódico]
      We study the effect of confinement in the dynamical behavior of a core-softened fluid. The fluid is modeled as a two length scales potential. This potential in the bulk reproduces the anomalous behavior observed in the ...
    • Effects of the attractive interactions in the thermodynamic, dynamic, and structural anomalies of a two length scale potential 

      Silva, Jonathas Nunes da; Torres, Evy Augusto Salcedo; Oliveira, Alan Barros de; Barbosa, Marcia Cristina Bernardes (2010) [Artigo de periódico]
      Using molecular dynamic simulations, we study a system of particles interacting through a continuous core-softened potentials consisting of a hard core, a shoulder at closest distances, and an attractive well at further ...
    • Entropy, diffusivity and the energy landscape of a waterlike fluid 

      Oliveira, Alan Barros de; Torres, Evy Augusto Salcedo; Chakravarty, Charusita; Barbosa, Marcia Cristina Bernardes (2010) [Artigo de periódico]
      Molecular dynamics simulations and instantaneous normal mode (INM) analysis of a fluid with core-softened pair interactions and waterlike liquid-state anomalies are performed to obtain an understanding of the relationship ...
    • Liquid crystal phase and waterlike anomalies in a core-softened shoulder-dumbbells system 

      Oliveira, Alan Barros de; Neves, Eduardo Barros; Gavazzoni, Cristina; Paukowski, Juliana Zacharias; Netz, Paulo Augusto; Barbosa, Marcia Cristina Bernardes (2010) [Artigo de periódico]
      Using molecular dynamics we investigate the thermodynamics, dynamics, and structure of 250 diatomic molecules interacting by a core-softened potential. This system exhibits thermodynamic, dynamic, and structural anomalies: ...
    • Structural anomalies for a three dimensional isotropic core-softned potential 

      Oliveira, Alan Barros de; Netz, Paulo Augusto; Colla, Thiago Escobar; Barbosa, Marcia Cristina Bernardes (2006) [Artigo de periódico]
      Using molecular dynamics simulations we investigate the structure of a system of particles interacting through a continuous core-softened interparticle potential. We found for the translational order parameter t a local ...
    • Thermodynamic and dynamic anomalies for a three-dimensional isotropic core-softened potential 

      Oliveira, Alan Barros de; Netz, Paulo Augusto; Colla, Thiago Escobar; Barbosa, Marcia Cristina Bernardes (2006) [Artigo de periódico]
      Using molecular-dynamics simulations and integral equations (Rogers-Young, Percus-Yevick, and hypernetted chain closures) we investigate the thermodynamics of particles interacting with continuous core-softened intermolecular ...
    • Water diffusion in carbon nanotubes : Interplay between confinement, surface deformation, and temperature 

      Mendonça, Bruno Henrique da Silva e; Ternes, Patrícia; Torres, Evy Augusto Salcedo; Oliveira, Alan Barros de; Barbosa, Marcia Cristina Bernardes (2020) [Artigo de periódico]
      In this article, we investigate, through molecular dynamics simulations, the diffusion behavior of the TIP4P/2005 water confined in pristine and deformed carbon nanotubes (armchair and zigzag). To analyze different diffusive ...
    • Water diffusion in rough carbon nanotubes 

      Mendonça, Bruno Henrique da Silva e; Ternes, Patrícia; Torres, Evy Augusto Salcedo; Oliveira, Alan Barros de; Barbosa, Marcia Cristina Bernardes (2020) [Artigo de periódico]
      We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes with different degrees of deformation at 300 K. We found that the number of hydrogen bonds that water forms depends on ...
    • Waterlike hierarchy of anomalies in continuous spherical shouldered potential 

      Oliveira, Alan Barros de; Franzese, Giancarlo; Netz, Paulo Augusto; Barbosa, Marcia Cristina Bernardes (2008) [Artigo de periódico]
      We investigate by molecular dynamics simulations a continuous isotropic core-softened potential with attractive well in three dimensions, introduced by Franzese [J. Mol. Liq. 136, 267 (2007)], that displays liquid-liquid ...