Role of carbon nanotube in reinforcing cementitious materials : An experimental and coarse-grained molecular dynamics study

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

View graph of relations



Original languageEnglish
Article number106517
Journal / PublicationCement and Concrete Research
Online published30 Jun 2021
Publication statusPublished - Sep 2021


One-dimensional carbon-based nanomaterials, such as carbon nanotube (CNT) or carbon nanofiber (CNF) have been regarded as ideal candidates to form nanocomposites for the fabrication of high-performance cementitious materials. Although CNT, CNF and nanocellulose possess different mechanical properties, the mechanical enhancement of CNT, CNF or nanocellulose reinforced cementitious falls in a similar magnitude compared with plain cement paste, which should be highly related to the interaction between the nanomaterials and cement hydration products. In this study, CNT has been chosen as a representative nanomaterial to investigate the role in reinforcing cementitious materials in the nanocomposite system through an experimental and coarse-grained molecular dynamics approach. The findings suggest that the CNT changes the fracture process in cement matrix when the microcracks initiate with the significantly improved fracture energy, leading to the improved global mechanical properties, and a nanoscale interfacial transition zone is found that governs the failure of the nanocomposite system.

Research Area(s)

  • Carbon nanotube (CNT), Cementitious composites, Grand canonical Monte Carlo (GCMC), Molecular dynamics, C-S-H, GRAPHENE OXIDE, NANOCOMPOSITES, COMPOSITES, ENHANCEMENT, MECHANICS, TOUGHNESS, STRENGTH, POLYMER, METAL