Mineral Physics Commons^™

Effect Of Light Elements On The Melting Behavior Of Liquid Iron Alloys Under Earth’S Inner Core Boundary Conditions, Olaniyi Anisere

LSU Master's Theses

The temperature at Earth’s inner core boundary (ICB) is set by the melting temperature of the iron-rich outer core at core pressures, yet this remains uncertain because melting depends strongly on composition and pressure. Light elements are required to explain the core’s density deficit, but the identity, abundance, and combined influence of these elements on melting under ICB conditions are still debated. This thesis quantifies how candidate light elements modify the melting behavior of iron alloys at ICB-relevant pressures and uses these composition-dependent melting relations to constrain ICB temperature.

Melting relations were determined using molecular dynamics simulations in VASP accelerated …

First-Principles Molecular Dynamics Study Of Liquid Iron-Rich Alloys Under Conditions Of The Earth’S Core, Dipendra Banjara

LSU Doctoral Dissertations

In this dissertation, we report the results of the first-principles molecular dynamics (FPMD) simulations and data analysis on the thermodynamic, structural, and transport properties of iron-rich metallic liquids considering several light and heavy elements under wide ranges of pressure and temperature that are relevant to the earth’s core. Our simulations of pure liquid iron cover the pressure range from 0 GPa at 2000 K to 380 GPa at 7000 K perhaps representing the most extensive computational study to date. We studied four molten iron-rich alloys corresponding to 2.67 atom% of Ni, Co, Mo, and W at pressures up to 380 …