Probing the state of hydrogen in δ-AlOOH at mantle conditions with machine learning potential

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 and impact structural, elastic, plastic, and thermodynamic properties and phase relations in Earth's forming aggregat...

Full description

Bibliographic Details
Main Authors: Chenxing Luo, Yang Sun, Renata M. Wentzcovitch
Format: Article
Language:English
Published: American Physical Society 2024-03-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/PhysRevResearch.6.013292