Molecular structural order and anomalies in liquid silica

Details Molecular structural order and anomalies in liquid silica Molecular structural order and anomalies in liquid silica

2002-03-19

arxiv.org/abs/cond-mat/0203383v1

Phys. Rev. E 66, 011202 (2002)

Physics

Condensed Matter

Soft Condensed Matter

30 pages, 8 figures

Scientific paper

10.1103/PhysRevE.66.011202

The present investigation examines the relationship between structural order, diffusivity anomalies, and density anomalies in liquid silica by means of molecular dynamics simulations. We use previously defined orientational and translational order parameters to quantify local structural order in atomic configurations. Extensive simulations are performed at different state points to measure structural order, diffusivity, and thermodynamic properties. It is found that silica shares many trends recently reported for water [J. R. Errington and P. G. Debenedetti, Nature 409, 318 (2001)]. At intermediate densities, the distribution of local orientational order is bimodal. At fixed temperature, order parameter extrema occur upon compression: a maximum in orientational order followed by a minimum in translational order. Unlike water, however, silica's translational order parameter minimum is broad, and there is no range of thermodynamic conditions where both parameters are strictly coupled. Furthermore, the temperature-density regime where both structural order parameters decrease upon isothermal compression (the structurally anomalous regime) does not encompass the region of diffusivity anomalies, as was the case for water.

Affiliated with

Also associated with

No associations

Rating

Molecular structural order and anomalies in liquid silica 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 Molecular structural order and anomalies in liquid silica, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Molecular structural order and anomalies in liquid silica will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-620101