Large-scale atomistic simulations of magnesium oxide exsolution driven
by machine learning potentials: Implications for the early geodynamo
Abstract
The precipitation of magnesium oxide (MgO) from the Earth’s core has
been proposed as a potential energy source to power the geodynamo prior
to the inner core solidification. Yet, the stable phase and exact amount
of MgO exsolution remain elusive. Here we utilize an iterative learning
scheme to develop a unified deep learning interatomic potential for the
Mg-Fe-O system valid over a wide pressure-temperature range. This
potential enables direct, large-scale simulations of MgO exsolution
processes at the Earth’s core-mantle boundary. Our results suggest that
Mg exsolves in the form of crystalline Fe-poor ferropericlase as opposed
to a liquid MgO component presumed previously. The solubility of Mg in
the core is limited, and the present-day core is nearly Mg-free. The
resulting exsolution rate is small yet nonnegligible, suggesting that
MgO exsolution can provide a potentially important energy source,
although it alone may be difficult to drive an early geodynamo.