A Review of Molecular Dynamics Studies on Silica and Silicate Melts((A)Amorphous Alloys)
Current progress of molecular dynamics (MD) simulation on silicate melts has been summarized for recent 15 years. MD simulation is now recognized as one of the useful techniques for providing the short range orderring structures of the melt expressed by the radial distribution function. The long range orderring structures in the melt, on the other hand, have not fully investigated by MD simulation, and the number distribution of -(Si-O-)_n rings or chains is the unique index for characterizing the network structures of silicates. Transport properties and other atomistic dynamics for silicate melt have not also sufficiently investigated except for ionic diffusivity. For further development of the MD simulation studies, one of the most important subjects may be to prepare more physically reliable interatomic potentials which can be used for various composition of silicates.
- Science reports of the Research Institutes, Tohoku University. Ser. A, Physics, chemistry and metallurgy
Science reports of the Research Institutes, Tohoku University. Ser. A, Physics, chemistry and metallurgy 36 (1), 20-35, 1991-03-25