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Full-Text Articles in Mineral Physics
Properties Of Liquid Fe-Ni Alloys Under Planetary Core Conditions And Their Geophysical Implications, Sajin Satyal
Properties Of Liquid Fe-Ni Alloys Under Planetary Core Conditions And Their Geophysical Implications, Sajin Satyal
LSU Doctoral Dissertations
The composition of Earth’s core remains unsolved, yet it carries critical implications for planetary evolution, thermal history, magnetic fields, and habitability. Planetary models derived from seismological observations, such as the Preliminary Reference Earth Model (PREM), indicate that Earth’s core is significantly less dense than pure iron, implying the presence of light elements, including sulfur, carbon, hydrogen, oxygen, and silicon. However, the exact composition and distribution of these elements remain largely unknown. In constraining Earth’s core composition, the density and compressional wave velocity of iron-rich alloys are often compared with seismologically derived models. However, no single iron–light-element alloy can simultaneously reproduce …
First-Principles Molecular Dynamics Study Of Liquid Iron-Rich Alloys Under Conditions Of The Earth’S Core, Dipendra Banjara
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 …