2 papers
cond-mat.soft2020
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…
cond-mat.soft2018
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…