4 papers
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…
Ferroelasticity, shear modulus softening, and the tetragonal-cubic transition in davemaoite
Tianqi Wan, Chenxing Luo, Zhen Zhang +2
Davemaoite (Dm), the cubic phase of CaSiO3-perovskite (CaPv), is a major component of the Earth's lower mantle. Understanding its elastic behavior, including its dissolution in bri…
Spin state of iron in I-42d-type Mg2SiO4 at ultra-high pressures
Tianqi Wan, Yang Sun, Renata M. Wentzcovitch
At extreme pressures of approximately 500 GPa, conditions characteristic of the deep interiors of super-Earths, the combination of NaCl-type MgO and post-perovskite-type MgSiO3 (PP…
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…