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Exploring the impact of degrees of hydration on the stress–strain response of Ca-montmorillonite

Published online by Cambridge University Press:  18 July 2025

Yidan Zhang Open the ORCID record for Yidan Zhang [Opens in a new window] ,
Quan Shen Open the ORCID record for Quan Shen [Opens in a new window]  and
Yuan Yan Open the ORCID record for Yuan Yan [Opens in a new window]
Yidan Zhang
Affiliation:
School of Civil and Environmental Engineering, Hunan University of Technology , Zhuzhou, China
Quan Shen*
Affiliation:
School of Civil and Environmental Engineering, Hunan University of Technology , Zhuzhou, China Guangxi Key Laboratory of Disaster Prevention and Engineering Safety, Nanning, China
Yuan Yan
Affiliation:
Collaborative Innovation Center, Hunan Automotive Engineering Vocational University, Zhuzhou, China
*
Corresponding author: Quan Shen; Email: shenquan@hut.edu.cn
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Abstract

The evolution of the crystal structure and mechanical behavior of Ca-montmorillonite (Ca-Mnt) under varying degrees of hydration is crucial for understanding its swelling properties. The objective of the present study was to investigate systematically the microstructural changes and stress–strain response of Ca-Mnt through molecular dynamics (MD) simulations, supplemented by experimental validation. By employing stress–strain hysteresis curves, the equivalent damping ratio was characterized by quantifying the impact of hydration on energy dissipation. The results indicated that, within the investigated hydration range, the absolute value of the mean H2O–Mnt interfacial interaction energy decreased with increasing hydration; as the water content increased from 300 mgwater per gclay to 420 mgwater per gclay, the average interfacial energy was reduced by ~2.65 eV Å–2. Hydration had a significant influence on the mechanical properties of Ca-Mnt, particularly in the Z-direction, in which the tensile strength decreased, whereas the compressive strength increased with greater degrees of hydration. The stress–strain hysteresis curves shifted progressively to the right as hydration intensified, demonstrating pronounced non-linearity and energy dissipation characteristics. The equivalent damping ratio initially decreased and then increased with increasing degrees of hydration, highlighting the dual effect of hydration on energy dissipation. This study validates the reliability of the simulation results and provides theoretical insights for understanding the hydration-induced expansion mechanisms of montmorillonite and its engineering applications.

Keywords

Ca-montmorillonitecrystal structureequivalent damping ratiohydration degreemechanical propertiesmolecular dynamics

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Type
Original Paper
Information
Clays and Clay Minerals , Volume 73 , 2025 , e30
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© The Author(s), 2025. Published by Cambridge University Press on behalf of The Clay Minerals Society

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