Atomic Structure And Dissolution Properties Of Yttrium-Containing Phosphate Glass

A classical molecular dynamics simulations of three compositions of yttrium-containing phosphate glasses, to study the atomic structure around yttrium, and understand how yttrium incorporation will affect the glass dissolution rate, has been undertaken. The Y-O bond length is about 2.2A and the coordination number is 6.3. To avoid effects due to different network connectivities, compositions were chosen to keep the Qn distribution and network connectivity roughly consistent, which was confirmed through direct calculation.