Investigation on Atomic Structure and Mechanical Property of Na- and Mg-Montmorillonite under High Pressure by First-Principles Calculations

Investigation on Atomic Structure and Mechanical Property of Na- and Mg-Montmorillonite under High Pressure by First-Principles Calculations

Montmorillonite is an important layered phyllosilicate material with many useful physicochemical and mechanical properties, which is widely used in medicine, environmental protection, construction industry, and other fields. In order to a get better understanding of the behavior of montmorillonite u...

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Bibliographic Details
Main Authors: Jian Zhao, Yu Cao, Lei Wang, Hai-Jiang Zhang, Man-Chao He
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Minerals
Subjects:
first-principles calculations
mechanical property
electronic property
atomic structure
montmorillonite
Online Access:https://www.mdpi.com/2075-163X/11/6/613

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https://www.mdpi.com/2075-163X/11/6/613

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