从纳米水化硅酸钙到水泥净浆弹性性能多尺度递推模型

doi:10.11896/cldb.22120188

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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.

Key words： calcium silicate hydrate nanoparticle cement paste elastic property multiscale upscaling model molecular dynamics homogenization

Published: 10 April 2024 Online: 2024-04-11

CLC number:

TU525

Fund:National Natural Science Foundation of China (51379178) and National Key R & D Program of China (2017YFC0405101-2).

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	TONG Taotao
	LI Zongli
	LIU Shida
	ZHANG Chenchen
	JIN Peng

Cite this article:

TONG Taotao,LI Zongli,LIU Shida, et al. Multiscale Upscaling Model for Elastic Properties from Calcium Silicate Hydrate Nanoparticle to Cement Paste[J]. Materials Reports, 2024, 38(7): 22120188-8.

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http://www.mater-rep.com/EN/10.11896/cldb.22120188 OR http://www.mater-rep.com/EN/Y2024/V38/I7/22120188

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