A Method of Porosity Analysis of Deposited Thin Films: The Results of a Supercomputer Simulation

Resumo

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.