Molecular dynamics study the structure, bonding, dynamic and mechanical properties of calcium silicate hydrate with ultra-confined water: Effects of nanopore size

2021 ◽  
Vol 280 ◽  
pp. 122477
Author(s):  
Jia Sun ◽  
Wei Zhang ◽  
Jigang Zhang ◽  
Dongshuai Hou
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Calcium Silicate ◽  
Calcium Silicate Hydrate ◽  
Confined Water ◽  
Water Effects

scholarly journals Effect of Water on the Dynamic Tensile Mechanical Properties of Calcium Silicate Hydrate: Based on Molecular Dynamics Simulation

Materials ◽  
2019 ◽  
Vol 12 (17) ◽  
pp. 2837 ◽  
Author(s):  
Jikai Zhou ◽  
Yuanzhi Liang
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Water Content ◽  
Calcium Silicate ◽  
Calcium Silicate Hydrate ◽  
Cementitious Materials ◽  
Constitutive Relationship ◽  
Degree Of Saturation ◽  
Strain Rates ◽  
Effect Of Water

To study the effect of water on the dynamic mechanical properties of calcium silicate hydrate (C–S–H) at the atomic scale, the molecular dynamics simulations were performed in uniaxial tension with different strain rates for C–S–H with a degree of saturation from 0% to 100%. Our calculations demonstrate that the dynamic tensile mechanical properties of C–S–H decrease with increasing water content and increase with increasing strain rates. With an increase in the degree of saturation, the strain rate sensitivity of C–S–H tends to increase. According to Morse potential function, the tensile stress-strain relationship curves of C–S–H are decomposed and fitted, and the dynamic tensile constitutive relationship of C–S–H considering the effect of water content is proposed. This reveals the strain rate effect of the cementitious materials with different water content from molecular insights, and the dynamic constitutive relationship obtained in this paper is necessary to the modelling of cementitious materials at the meso-scale.

scholarly journals Molecular dynamics study on axial mechanical properties of calcium silicate hydrate

2020 ◽  
Vol 7 (8) ◽  
pp. 085011
Author(s):  
Jianzhang Huang ◽  
Yue Fan ◽  
Xiaowei Ouyang ◽  
Qiang Han
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Calcium Silicate ◽  
Calcium Silicate Hydrate
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