E. Sourial et al., A structural investigation of Mg(PO3)(2), Zn(PO3)(2) and Pb(PO3)(2) glasses using molecular dynamics simulation, PCCP PHYS C, 1(8), 1999, pp. 2013-2018
An investigation into the structure of three metaphosphate glasses, Mg(PO3)
(2), Zn(PO3)(2), and Pb(PO3)(2) using molecular dynamics simulations is pre
sented. The phosphate network was found to consist of long linear chains of
PO4 tetrahedral units. This type of structure exists in the three metaphos
phate glasses, indicating that the cation modifier has little effect on the
structure of the phosphate backbone. A study of the metal networks reveale
d that the modifier's held strength plays a significant role in determining
the short range order of the metal ions. The results indicate that the lea
d ion occupies several different environments compared with those occupied
by the magnesium or zinc ions.