11 citations · 20 across the 6 of their papers we have counts for
4 papers · 1 filter
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…
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…
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…
Intermediate spin state and the B1-B2 transition in ferropericlase at tera-Pascal pressures
Tianqi Wan, Yang Sun, Renata M. Wentzcovitch
Ferropericlase (fp), (MgFe)O, the second most abundant mineral in the Earth's lower mantle, is expected to be an essential component of super-Earths' mantles. Here we p…