Multiscale Upscaling Model for Elastic Properties from Calcium Silicate Hydrate Nanoparticle to Cement Paste
TONG Taotao1, LI Zongli1,2,*, LIU Shida3, ZHANG Chenchen1, JIN Peng1
1 College of Water Resources and Architectural Engineering, Northwest A & F University, Yangling 712100, Shaanxi, China 2 Key Laboratory of Agricultural Soil and Water Engineering in Arid and Semiarid Areas, Ministry of Education, Northwest A & F University, Yangling 712100, Shaanxi, China 3 Shandong Electric Power Engineering Consulting Institute Corp., Ltd., Jinan 250013, China
Abstract: Concrete has multiscale structure and its mechanical properties are affected by different hydration products and microstructure. Based on molecular dynamics, stoichiometry and homogenization method, a multiscale upscaling model of elastic properties fromcalcium silicate hydrate (C-S-H) nanoparticle to cement paste was proposed. And the calculated results are in good agreement with the experimental data. Based on the model, it was found that the 44% porosity of C-S-H gel reduced the bulk modulus, shear modulus and Young’s modulus by about 66%, 53% and 55%, respectively. When the water/cement ratio changed from 0.3 to 0.5, the bulk modulus, shear modulus and Young’s modulus of the cement paste decreased by about 39%, 30% and 32%, respectively. And the volume fraction of LD C-S-H and capillary pores increased by 13% and 20%, respectively. The greater the volume fraction of C-S-H in hydration products or the mass fraction of tricalcium silicate in cement clinker, the greater the elastic parameters of cement paste. The model provided guidance for microcontrol of cement-based materials.
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2024, Vol. 38 
