2019_EJRNL_PP_Suraj_K__Bajgain_11.pdf
Terbatas Irwan Sofiyan
» ITB
Terbatas Irwan Sofiyan
» ITB
In this study, we use f irst-principles molecular
dynamics simulations to explore the behavior of anhydrous
aluminosilicate melt with a stoichiometry of NaAlSi2O6 up to
pressures of ?30 GPa and temperatures between 2500 and
4000 K. We also examine the effect of water (?4 wt % H2O)
on the equation of state and transport properties of the
aluminosilicate melt and relate them to atomistic scale
changes in the melt structure. Our results show that water
reduces the density and bulk modulus of the anhydrous melt.
However, the pressure derivative of the bulk modulus of the
hydrous melt is larger than that of the anhydrous melt. The
pressure dependence of the transport property exhibits an
anomalous behavior...