173 citations · 506 across the 5 of their papers we have counts for
4 papers · 1 filter
Water diffusion in carbon nanotubes: interplay between confinement, surface deformation and temperature
Bruno H. S. Mendonça, Patricia Ternes, Evy Salcedo +2
In this article we investigate through molecular dynamics simulations the diffusion behavior of the TIP4P/2005 water when confined in pristine and deformed carbon nanotubes (armcha…
Water diffusion in rough carbon nanotubes
Bruno H. S. Mendonça, Patricia Ternes, Evy Salcedo +2
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 h…
Structural anomalies for a three dimensional isotropic core-softened potential
Alan B. de Oliveira, Paulo A. Netz, Thiago Colla +1
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…
Thermodynamic and dynamic anomalies for a three dimensional isotropic core-softened potential
Alan B. de Oliveira, Paulo A. Netz, Thiago Colla +1
Using molecular dynamics simulations and integral equations (Rogers-Young, Percus-Yevick and hypernetted chain closures) we investigate the thermodynamic of particles interacting w…