3 papers
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…
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2025
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…