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

Journal of Zhejiang University-Science A(Applied Physics & Engineering) 2024年第2期25卷 97-115页

作者： Zhicheng GENG Shengwen TANG Yang WANG Hubao A Zhen HE Kai WU Lei WANG State Key Laboratory of Water Resources Engineering and Management Wuhan UniversityWuhan430072China Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education School of Materials Science and EngineeringTongji UniversityShanghai200092China College of Materials Science and Engineering Xi’an University of Architecture and TechnologyXi’an710055China

The time-dependent viscoelastic response of cement-based materials to applied deformation is far from fully understood at the atomic *** silicate hydrate(C-S-H),the main hydration product of Portland cement,is responsible for the viscoelastic mechanism of cement-based *** 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 *** stress relaxation of C-S-H occurs regardless of whether it is subjected to initial shear,tensile,or compressive deformation,and shows a heterogeneous *** 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 *** 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 *** 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.

关键词： calcium silicate hydrate(C-S-H) Stress relaxation ca/si ratio Temperature Water content Atomic simulation

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Effect of Corrosive Ions (Cl^-,SO4^2-,and Mg^2+) on the Nanostructure and Chloride Binding Property of C-A-S-H Gel

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Journal of Wuhan University of Technology(Materials Science) 2020年第6期35卷 1061-1072页

作者： JIN Shucheng LIU Kai ZHANG Gaozhan SHI Hua DING Qingjun 徐文远 School of Civil Engineering Northeast Forestry UniversityHarbin 150040China China Construction Ready Mixed Concrete Co. LtdWuhan 430200China School of Materials and Chemical Engineering Anhui Jianzhu UniversityHefei 230601China School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China

The nanostructure and chloride binding capacity evolution of C-A-S-H gel exposed to aggressive solutions were investigated,utilizing 29si NMR,27Al NMR,SEM-EDS,and XRD *** experimental results show that while Cl-ions show a smaller effect on the microstructure of C-A-S-H sample,and SO4^2-ions can react with C-A-S-H,resulting in decreasing ca/si and Al[4]/si for the C-A-S-H gel (i e,decalcification and dealuminization).The presence of Mg^2+ ions can aggravate the decalcifying and dealuminizing effects of SO4^2-ions on the *** decreasing ca/si ratio and aluminum substitution for the original C-A-S-H gel,the depolymerization degree of silicate tetrahedra increases and the calcium aluminosilicate skeleton strengthens.C-A-S-H gel with lower ca/si ratio and higher Al[4]/si ratio shows gentler nanostructure evolution under chemical attack,i e,improving thermodynamic stability under chemical ***,the chloride binding capacity of C-A-S-H gel is decreased after the sulfate *** substitution can also help C-A-S-H gel resist the degraded chloride binding capacity induced by sulfate attack.

关键词： calcium-silicate-hydrate ions attack ca/si ratio Al/si aluminum uptake

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