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Unveiling the effect of Ni on the formation and structure of Earth's inner core
Yang Sun, Mikhail I. Mendelev, Feng Zhang +5
Ni is the second most abundant element in the Earth's core. Yet, its effects on the inner core's structure and formation process are usually disregarded because of its electronic a…
Ab-initio Simulations of Coherent Phonon-Induced Pumping of Carriers in Zirconium Pentatelluride
Tao Jiang, Peter P. Orth, Liang Luo +7
Laser-driven coherent phonons can act as modulated strain fields and modify the adiabatic ground state topology of quantum materials. Here we use time-dependent first-principles an…
Machine learning guided discovery of superconducting calcium borocarbides
Chao Zhang, Hui Tang, Chen Pan +4
Pursuit of superconductivity in light-element systems at ambient pressure is of great experimental and theoretical interest. In this work, we combine a machine learning (ML) method…
Structure and dynamics of Fe90Si3O7 liquids close to Earth's liquid core conditions
Ling Tang, Chao Zhang, Yang Sun +3
Using an artificial neural-network machine learning interatomic potential, we have performed molecular dynamics simulations to study the structure and dynamics of Fe90Si3O7 liquid…
Ab initio melting temperatures of bcc and hcp iron under the Earth's inner core condition
Yang Sun, Mikhail I. Mendelev, Feng Zhang +5
There has been a long debate on the stable phase of iron under the Earth's inner core conditions. Because of the solid-liquid coexistence at the inner core boundary, the thermodyna…
A deep machine learning potential for atomistic simulation of Fe-Si-O systems under Earth's outer core conditions
Chao Zhang, Ling Tang, Yang Sun +3
Using artificial neural-network machine learning (ANN-ML) to generate interatomic potentials has been demonstrated to be a promising approach to address the long-standing challenge…