Physics – Condensed Matter – Disordered Systems and Neural Networks
Scientific paper
2007-03-15
Physics
Condensed Matter
Disordered Systems and Neural Networks
12 pages, 6 figures. To appear in J. Phys.: CM
Scientific paper
Using density-functional molecular dynamics simulations we analyzed the cooling-rate effects on the physical properties of GeS$_2$ chalcogenide glasses. Liquid samples were cooled linearly in time according to $T(t) = T_0 - \gamma t$ where $\gamma$ is the cooling rate. We found that our model leads to a promising description of the glass transition temperature $T_g$ as a function of $\gamma$ and gives a correct $T_g$ for experimental cooling rates. We also investigated the dependence of the structural properties on the cooling rate. We show that, globally, the properties determined from our simulations are in good agreement with experimental values and this even for the highest cooling rates. In particular, our results confirm that, in the range of cooling rates studied here, homopolar bonds and extended charged regions are always present in the glassy phase. Nevertheless in order to reproduce the experimental intermediate range order of the glass, a maximum cooling rate should not be exceeded in numerical simulations.
Jund Philippe
Roux Sebastien Le
No associations
LandOfFree
Influence of the cooling-rate on the glass transition temperature and the structural properties of glassy GeS2: an ab initio molecular dynamics study 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 Influence of the cooling-rate on the glass transition temperature and the structural properties of glassy GeS2: an ab initio molecular dynamics study, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Influence of the cooling-rate on the glass transition temperature and the structural properties of glassy GeS2: an ab initio molecular dynamics study will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-363022