Browsing School of Physical and Mineral Sciences by Subject "Computer simulations"

Now showing items 1-1 of 1

Computer simulation study of apatite mineral surfaces and interfaces with silicates

Mkhonto, Donald (University of Limpopo (Turfloop Campus), 2005)

We have derived a potential model for °uorapatite Ca10(PO4)6F2, ¯tted to structure, elastic constants and vibrational frequencies of the phosphate groups, which is compatible with existing calcite and °uorite potential ...