@inproceedings{8f00a7215a2947bca51cfd0bbdf2f2b6,
title = "Molecular simulations of silica surface in presence of water",
abstract = "In this paper, a silica (SiO2) surface in the presence of water has been studied using molecular dynamics (MD) simulations. Water and silica models have been created separately, relaxed and then put side by side to study the silica-water interface. All the intra- and inter-molecular interactions have been described by the reactive force field ReaxFF. From the molecular simulations, structural properties of water and silica, silica surface reactivity, diffusion of water molecule into silica have been investigated. For molecular simulations, open source MD code LAMMPS has been used.",
author = "Chowdhury, \{S. C.\} and Haque, \{B. Z.\} and Gillespie, \{J. W.\} and Chantawansri, \{T. L.\} and T. Rosch and Karkkainen, \{R. L.\}",
year = "2013",
language = "English",
isbn = "9781629931432",
series = "28th Annual Technical Conference of the American Society for Composites 2013, ASC 2013",
pages = "1665--1676",
booktitle = "28th Annual Technical Conference of the American Society for Composites 2013, ASC 2013",
note = "28th Annual Technical Conference of the American Society for Composites 2013, ASC 2013 ; Conference date: 09-09-2013 Through 11-09-2013",
}