Core formation in a wet magma ocean

The formation of Earth’s core was one of the most significant events in the planet’s early history, fundamentally shaping its subsequent evolution. Water likely played a critical role in this process by influencing chemical reactions between metallic fluids, which eventually formed the core, and silicate melts, which built the mantle. However, how water affected the distribution of key elements such as iron, magnesium, silicon, carbon, and hydrogen remains poorly understood. This project will explore these processes through advanced computer simulations driven by machine learning techniques, which will enable modeling core formation under hydrous conditions. Insights from this study will help clarify how Earth’s deep interior evolved and how similar processes might occur on other planets. The project will also contribute to training future scientists in state-of-the-art computational methods. Core formation in a hydrous magma ocean is investigated through large-scale two-phase simulations of metallic fluids and silicate melts using machine learning potentials of ab initio quality. The research targets the Mg-Fe-Si-O-H-C-N-S system to assess how water affects the partitioning of both major and volatile elements between core-forming metals and silicates at extreme pressures and temperatures. The project will develop and apply machine learning potentials of ab initio quality. These potentials enable large-scale molecular dynamics simulations of up to hundreds of thousands of atoms. The results will reveal how water influenced the distribution of key elements between the core and mantle, providing new constraints on Earth’s early differentiation process and volatile element budget. These findings have broad implications for understanding core formation and planetary evolution in the solar system and beyond. This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.