Molecular dynamics studies the effects of the earth's surface depth on the heterogeneous kinetics of MgSiO3

Abstract

This paper studies the shape of the earth's surface, the formation of layers and the influencing factors of the earth's surface: Depth (h), h = 0 km, 1820 km, 2912 km, 3640 km, 4550 km, 5460 km and h = 6371 km with MgSiO3 5000 atoms; atomic number (N), N = 3000 atoms, 4000 atoms, 5000 atoms, 6000 atoms at h = 2912 km; annealing time (t), t = 9.56 ps, 19.12 ps, 28.68 ps, 38.24 ps, 47.8 ps with MgSiO3 5000 atoms and h = 2912 km on the inhomogeneous kinetics of MgSiO3 material by means of Molecular Dynamics (MD) simulation with the Born-Mayer (BM) coupling potential, periodic boundary conditions. The inhomogeneous kinetic results of MgSiO3 material were analyzed through Radial Distribution Function (RDF), average Coordinate Number (CN), angular distribution, angular distribution density, size (l), the total energy of the system (Etot) and the length of the bonds Si-Si, Si-O, O-O, Si-Mg, O-Mg, Mg-Mg. The results show the effect of the depth of the earth's surface, the number of atoms, and the incubation time on the heterogeneous kinetics of MgSiO3 material. In addition, the results show that with the depth of the earth's surface from h = 0 km to h = 1820 km has the change of number of structural units SiO4, SiO5, SiO6, MgO3, MgO4, MgO5, MgO6, MgO7, MgO8, MgO9 are strongest, descending with 1820 km < h < 4550 km and unchanged with h > 4550 km and especially the disappearance of SiO4, SiO5, SiO6 structural units.