Insights into core-mantle differentiation from bulk Earth melt simulations.

ABSTRACT: The earth is thought to have gone through complex physicochemical changes during the accretion and magma ocean stages. To better understand this evolution process at the fundamental level, we investigate the behavior of a bulk earth melt system by simulating the composition Fe_35.7Mg_19.0Si_15.2O_30.2 (in wt%) at high pressure. A deep neural network potential trained by first-principles data can enable accurate molecular dynamics simulation of large supercells that greatly enhances sampling for reliable evaluation of elemental partitioning. Our simulated system undergoes a phase separation in which the four elements clump together to different extents into two major domains. Based on the coordination and space-decomposition analyses, the inferred com

SUBMITTER: Shakya A 

PROVIDER: S-EPMC11322187 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature