Deep‐Learning‐Based Prediction of the Tetragonal→ Cubic Transition in Davemaoite

F Wu, Y Sun, T Wan, S Wu… - Geophysical Research …, 2024 - Wiley Online Library
Davemaoite, that is, CaSiO3 perovskite (CaPv), is the third most abundant phase in the
lower mantle and exhibits a tetragonal‐cubic phase transition at high pressures and …

Davemaoite as the mantle mineral with the highest melting temperature

K Yin, AB Belonoshko, Y Li, X Lu - Science Advances, 2023 - science.org
Knowledge of high-pressure melting curves of silicate minerals is critical for modeling the
thermal-chemical evolution of rocky planets. However, the melting temperature of …

Ab initio anharmonic thermodynamic properties of cubic perovskite

Z Zhang, RM Wentzcovitch - Physical Review B, 2021 - APS
We present an ab initio study of the thermodynamic properties of cubic Ca Si O 3 perovskite
(CaPv) over the pressure and temperature range of the Earth's lower mantle. We compute …

Toward better understanding of anharmonic structural, thermodynamic, and elastic properties of CaSiO3 perovskite under extreme conditions via statistical moment …

NQ Hoc, TT Nga, NN Thang, BL Ngoc, NT Ngoc - Materialia, 2024 - Elsevier
CaSiO 3 perovskite is thought to be the third most abundant minerals in both the Earth's
transition zone and lower mantle but its structural, thermodynamic, and elastic properties …

Phonon Quasiparticle Studies of Anharmonic Properties of Solids

Z Zhang - 2023 - academiccommons.columbia.edu
At the high-temperature conditions of the Earth's interior, lattice anharmonic effects in
crystalline mineral phases can become pronounced. Anharmonicity, ie, deviations of …

Toward Better Understanding of Anharmonic Structural, Thermodynamic, and Elastic Properties of CaSiO3 Perovskite Under Extreme Conditions via Statistical …

H Nguyen Quang, TT Nga, NN Thang, BL Ngoc… - Than Thi and Thang … - papers.ssrn.com
CaSiO3 perovskite is thought to be the third most abundant minerals in both the Earth's
transition zone and lower mantle but its structural, thermodynamic, and elastic properties …

Points to Understand in Background Theories

R Maezono - Ab initio Calculation Tutorial: For Materials Analysis …, 2023 - Springer
In this chapter, we explain the background theories as below for the operations that we
experienced in preceding chapters. Readers are expected to harden one's understandings …