First-principles calculations of the ferroelastic transition between rutile-type and -type at high pressures

A Togo, F Oba, I Tanaka - Physical Review B—Condensed Matter and …, 2008 - APS
The tetragonal to orthorhombic ferroelastic phase transition between rutile-and CaCl 2-type
SiO 2 at high pressures is studied using first-principles calculations and the Landau free …

Deformation of earth materials

S Karato - An introduction to the rheology of Solid Earth, 2008 - sutlib2.sut.ac.th
4.1 Introduction 51 4.2 Elastic constants 52 4.3 Isothermal versus adiabatic elastic constants
55 4.4 Experimental techniques 57 4.5 Some general trends in elasticity: Birch's law 59 4.6 …

Structural stability of silica at high pressures and temperatures

AR Oganov, MJ Gillan, GD Price - Physical Review B—Condensed Matter and …, 2005 - APS
The high-pressure phase diagram of Si O 2 has been calculated using density-functional
perturbation theory. We find that phase transitions of silica do not correspond to any …

High pressure induced phase transformation of SiO2 and GeO2: difference and similarity

VP Prakapenka, G Shen, LS Dubrovinsky… - Journal of Physics and …, 2004 - Elsevier
We report high pressure polymorphism of SiO2 and GeO2 at room and high temperatures. It
was found that kinetics has a large effect on pressure induced phase transitions of SiO2 and …

Evidence for the stability of ultrahydrous stishovite in Earth's lower mantle

Y Lin, Q Hu, Y Meng, M Walter… - Proceedings of the …, 2020 - National Acad Sciences
The distribution and transportation of water in Earth's interior depends on the stability of
water-bearing phases. The transition zone in Earth's mantle is generally accepted as an …

High pressure x-ray diffraction techniques with synchrotron radiation

J Liu - Chinese Physics B, 2016 - iopscience.iop.org
This article summarizes the developments of experimental techniques for high pressure x-
ray diffraction (XRD) in diamond anvil cells (DACs) using synchrotron radiation. Basic …

Elasticity of Hydrated Al‐Bearing Stishovite and Post‐Stishovite: Implications for Understanding Regional Seismic VS Anomalies Along Subducting Slabs in the …

Y Zhang, S Fu, S Karato, T Okuchi… - Journal of …, 2022 - Wiley Online Library
Seismic studies have found seismic scatterers with− 2 to− 12% shear velocity anomalies
along some subducting slabs at 700–1900 km depth. The ferroelastic post‐stishovite …

First principles determination of the phase boundaries of high‐pressure polymorphs of silica

T Tsuchiya, R Caracas… - Geophysical Research …, 2004 - Wiley Online Library
We perform first principles calculations of three ordered high‐pressure polymorphs of silica
to investigate their phase equilibrium: stishovite, CaCl2 and α‐PbO2. We use the density …

Elastic properties of stishovite and the CaCl2-type silica at the mantle temperature and pressure: An ab initio investigation

R Yang, Z Wu - Earth and Planetary Science Letters, 2014 - Elsevier
The elastic constant tensors of stishovite and the CaCl 2-type silica at the Earth's mantle
temperature and pressure were determined using first-principles calculations with local …

Recent advances in the study of mantle phase transitions

E Ohtani, T Sakai - Physics of the Earth and Planetary Interiors, 2008 - Elsevier
We review recent advances in the study of phase transitions of minerals in the Earth's
mantle, including unsolved problems regarding these processes. The phase boundaries of …