首页|Stress relaxation properties of calcium silicate hydrate:a molecular dynamics study

Stress relaxation properties of calcium silicate hydrate:a molecular dynamics study

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The time-dependent viscoelastic response of cement-based materials to applied deformation is far from fully understood at the atomic level.Calcium silicate hydrate(C-S-H),the main hydration product of Portland cement,is responsible for the viscoelastic mechanism of cement-based materials.In this study,a molecular model of C-S-H was developed to explain the stress relaxation characteristics of C-S-H at different initial deformation states,Ca/Si ratios,temperatures,and water contents,which cannot be accessed experimentally.The stress relaxation of C-S-H occurs regardless of whether it is subjected to initial shear,tensile,or compressive deformation,and shows a heterogeneous characteristic.Water plays a crucial role in the stress relaxation process.A large Ca/Si ratio and high temperature reduce the cohesion between the calcium-silicate layer and the interlayer region,and the viscosity of the interlayer region,thereby accelerating the stress relaxation of C-S-H.The effect of the hydrogen bond network and the morphology of C-S-H on the evolution of the stress relaxation characteristics of C-S-H at different water contents was elucidated by nonaffine mean squared displacement.Our results shed light on the stress relaxation characteristics of C-S-H from a microscopic perspective,bridging the gap between the microscopic phenomena and the underlying atomic-level mechanisms.

Calcium silicate hydrate(C-S-H)Stress relaxationCa/Si ratioTemperatureWater contentAtomic simulation

Zhicheng GENG、Shengwen TANG、Yang WANG、Hubao A、Zhen HE、Kai WU、Lei WANG

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State Key Laboratory of Water Resources Engineering and Management,Wuhan University,Wuhan 430072,China

Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education,School of Materials Science and Engineering,Tongji University,Shanghai 200092,China

College of Materials Science and Engineering,Xi'an University of Architecture and Technology,Xi'an 710055,China

National Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaOpening Project of Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education(Tongji University)Water Conservancy Science and Technology Project of Hunan ProvinceChina

51602229U2040222XSKJ2021000-15

2024

10.1631/jzus.A2300476

浙江大学学报(英文版)(A辑:应用物理和工程)
浙江大学

浙江大学学报(英文版)(A辑:应用物理和工程)

CSTPCD
影响因子：0.556
ISSN：1673-565X
年,卷(期)：2024.25(2)
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