Cambridge 7th to 9th September
article posted 24 Feb 2015
After studying for an undergraduate masters degree in physics at the University of Kent, Laura wanted to carry on studying glasses using molecular dynamics. She was lucky to get offered an EPSRC studentship which allowed her to start a PhD in September 2014 working with her previous supervisor Dr. Gavin Mountjoy. Laura?s research involves modelling the role of chlorine in bioactive glasses.
Molecular dynamics modelling of ZnCl2 glass
School of Physical Sciences, University of Kent, Canterbury CT2 7NH, UK
It is interesting to compare a glass study of ZnCl2
because both have glass
networks with tetrahedral units, but whereas SiO2
is a "strong" glass former, ZnCl2
is a "fragile" glass former. Classical molecular dynamics modelling with a shell model
potential has been used to model the structure of ZnCl2
The molecular dynamics model of ZnCl2
glass is compared with
experimental data including neutron and x-ray diffraction, and with a
previously reported model made by reverse Monte Carlo modelling .
The tetrahedral network in the model of ZnCl2
glass is overwhelmingly
corner-sharing, but a small minority of edge-sharing is present (see Figure 1).
The features of the tetrahedral network in ZnCl2
glass are also compared with
those reported for SiO2
glass, the archetypal tetrahedral network glass.
Figure 1: molecular dynamics model of ZnCl2
glass (blue represents Zn, light green represents Cl and arrows show edge-sharing tetrahedra).
 A. Zeidler, P.S. Salmon, R.A. Martin, T. Usuki,* P.E. Mason, G.J. Cuello, S. Kohara, and H.E. Fischer (2010) Phys. Rev. B 82, 104208 - "Structure of liquid and glassy ZnCl2