Over the past few decades, hydrous minerals were thought to be absent in the lower mantle,
due to their instability at high-pressure conditions. Recently, however, hydrous phases …

This paper reviews methods that aim at simulating nuclear quantum effects (NQEs) using
generalized thermal baths. Generalized (or quantum) baths simulate statistical quantum …

At ambient pressure, the hydrogen bond in materials such as ice, hydrates, and hydrous
minerals that compose the Earth and icy planets generally takes an asymmetric OH··· O …

In this study, we present new experimental constraints on the phase stability and thermal
equation of state of an important hydrous phase, δ-AlOOH, using synchrotron X-ray …

Hydrous and nominally anhydrous minerals are a fundamental class of solids of enormous
significance to geophysics. They are the water carriers in the deep geological water cycle …

First principles calculations have shown that the high‐pressure phase transition of phase D
MgSi2O6H2 to the new high‐pressure hydrous phase MgSiO4H2 plus stishovite occurs at …

The compression behaviors of δ-AlOOH and δ-AlOOD were investigated under quasi-
hydrostatic conditions at pressures up to 63.5 and 34.9 GPa, respectively, using results from …

Using first principle simulations we calculated the elasticity of chlorite. At a density ρ~ 2.60 g
cm− 3, the elastic constant tensor reveals significant elastic anisotropy: VP~ 27%, VS1 …

Recent studies show that δ‐AlOOH is stable up to the base of the mantle. This phase is,
therefore, a possible carrier and host of water in the deep mantle. To uncover the physical …

Seismic anomalies observed in Earth's deep mantle are conventionally considered to be
associated with thermal and compositional anomalies, and possibly partial melt of major …