Molecular Simulation Study on Mechanical Properties of Microcapsule-Based Self-Healing Cementitious Materials

Microcapsule-based self-healing concrete can effectively repair micro-cracks in concrete and improve the strength and durability of concrete structures. In this paper, in order to study the effect of epoxy resin on the cement matrix at a microscopic level, molecular dynamics were used to simulate th...

Full description

Saved in:
Bibliographic Details
Published in:Polymers 2022-02, Vol.14 (3), p.611
Main Authors: Wang, Xianfeng, Xie, Wei, Li, Long-Yuan, Zhu, Jihua, Xing, Feng
Format: Article
Language:English
Subjects:
Algorithms
Atoms & subatomic particles
Binding energy
Cement
Computer simulation
Concrete
Concrete structures
Cracks
Curing
Curing agents
Distribution functions
Energy
Energy distribution
Epoxy resins
Geometry
Hydrogen bonding
Hydrogen-based energy
Interfacial bonding
Interfacial properties
Mechanical properties
Microcracks
Molecular dynamics
Optimization
Permeability
Radial distribution
Repair
Self healing materials
Stress-strain curves
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Microcapsule-based self-healing concrete can effectively repair micro-cracks in concrete and improve the strength and durability of concrete structures. In this paper, in order to study the effect of epoxy resin on the cement matrix at a microscopic level, molecular dynamics were used to simulate the mechanical and interfacial properties of microcapsule-based self-healing concrete in which uniaxial tension was carried out along the -axis. The radial distribution function, interface binding energy, and hydrogen bonding of the composite were investigated. The results show that the epoxy resin/C-S-H composite has the maximum stress strength when TEPA is used as the curing agent. Furthermore, the interface binding energy between epoxy resin and cement matrix increases with increasing strain before the stress reaches its peak value. The cured epoxy resin can enhance both the interfacial adhesion and the ductility of the composite, which can meet the needs of crack repair of microcapsule-based self-healing cementitious materials.
ISSN:2073-4360
2073-4360
DOI:10.3390/polym14030611