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physics.geo-ph2026
Assessing foundational atomistic models for iron alloys under Earth's core conditions
Tianqi Wan, Liangrui Wei, Zepeng Wu +2
We assess the capability of recently developed foundational atomistic models (FAMs) to simulate iron alloys under the extreme pressures and temperatures of Earth's core. Static equ…
physics.geo-ph2024
Deep-learning-based prediction of the tetragonalcubic transition in davemaoite
Fulun Wu, Yang Sun, Tianqi Wan +2
Davemaoite, i.e., perovskite (CaPv), is the third most abundant phase in the lower mantle and exhibits a tetragonal-cubic phase transition at high pressures and temperatu…
physics.geo-ph2023★ 1 cited
Thermoelastic properties of bridgmanite using Deep Potential Molecular Dynamics
Tianqi Wan, Chenxing Luo, Yang Sun +1
MgSiO_3-perovskite (MgPv) plays a crucial role in the Earth's lower mantle. This study combines deep-learning potential (DP) with density functional theory (DFT) to investigate the…