Photoelasticity of sodium silicate glass from first principles

Details Photoelasticity of sodium silicate glass from first principles Photoelasticity of sodium silicate glass from first principles

2004-07-09

arxiv.org/abs/cond-mat/0407243v1

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevB.70.214205

Based on density-functional perturbation theory we have computed the photoelastic tensor of a model of sodium silicate glass of composition (Na$_2$O)$_{0.25}$(SiO$_2$)$_{0.75}$ (NS3). The model (containig 84 atoms) is obtained by quenching from the melt in combined classical and Car-Parrinello molecular dynamics simulations. The calculated photoelastic coefficients are in good agreement with experimental data. In particular, the calculation reproduces quantitatively the decrease of the photoelastic response induced by the insertion of Na, as measured experimentally. The extension to NS3 of a phenomenological model developed in a previous work for pure a-SiO$_2$ indicates that the modulation upon strain of other structural parameters besides the SiOSi angles must be invoked to explain the change in the photoelstic response induced by Na.

Affiliated with

Also associated with

No associations

Rating

Photoelasticity of sodium silicate glass from first principles does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Photoelasticity of sodium silicate glass from first principles, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Photoelasticity of sodium silicate glass from first principles will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-725888