Abstract
The pressure-induced structural evolutions ofCaSiO3–MgSiO3 glasses have been examined by means of molecular dynamics simulation. Ourcalculations revealed that Si coordination remained unchanged up to 15 GPa, whilemodifier cations caused significant changes in the short-range order structure.In the present study, we conclude that the main compression mechanisms forCaSiO3–MgSiO3 glasses are: (1) the Si–O–Si angle reduction, (2) the coordination increase of Ca and Mgcations, and (3) the compaction in the medium-range scale. Furthermore, small changes in theQn distribution suggest pressure-induced disproportionation reactions. Similar pressure responses betweenCaSiO3–MgSiO3 glasses may imply that the structural changes ofSiO4 framework units are more significant than those of interstitial cations, Ca and Mg.
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