Annotation
An analysis method for atomistic cluster porosity is presented. Porosity and pore radii are calculated from the coordinates of atoms and van der Waals radii. The pore volume is calculated as the maximum volume of a sphere inscribed in a pore. The method is applied to a silicon dioxide thin film prepared by simulation of ion-beam sputtering. The porosity and distribution of pores by radius are calculated. The concentration of pores that are able to contain small molecules is estimated.
Received: 2017 June 22
Approved: 2018 August 23
PACS:
68.60.-p Physical properties of thin films, nonelectronic
68.55.-a Thin film structure and morphology
68.55.-a Thin film structure and morphology
© 2016 Publisher M.V.Lomonosov Moscow State University
Authors
F. V. Grigoriev, V. B. Sulimov, A. V. Tikhonravov
$^1$Research Computing Center, Lomonosov Moscow
$^1$Research Computing Center, Lomonosov Moscow