Molecular dynamics simulations of graphene pull-out from calcium silicate hydrate

Chenyang Li, Shujian Chen, Ye Lu, Wenhui Duan

Research output: Chapter in Book/Report/Conference proceedingConference PaperResearchpeer-review

2 Citations (Scopus)

Abstract

In recent years, the additions of nanomaterials as reinforcements for cement have attracted great interests. However, the understanding of the interfacial properties between these nanomaterials and the cement matrix is still limited. In this study, molecular dynamics (MD) simulations are conducted to investigate the graphene pullout from calcium silicate hydrate (C-S-H). The jennite is simulated to model the structure of C-S-H. The graphene sheet is pulled out from the jennite matrix by 5 Å each time. The pull-out energy is found to increase linearly with the pull-out displacement. The pull-out force keeps constant (0.538N/m) throughout the pull-out process. This reinforcing mechanism is different with that of the microfibers (or macrofibers) and further research is needed to understand the role of nanomaterials in cement composites.
Original languageEnglish
Title of host publicationCONCREEP 10: Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures
EditorsChristian Hellmich, Bernhard Pichler, Johann Kollegger
Place of PublicationReston VA USA
PublisherAmerican Society of Civil Engineers
Pages913 - 918
Number of pages6
ISBN (Print)9780784479346
DOIs
Publication statusPublished - 2015
EventInternational Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures (CONCREEP-10) - Vienna University of Technology (TU Wien), Vienna, Austria
Duration: 21 Sep 201523 Sep 2015
Conference number: 10th
https://ascelibrary.org/doi/pdf/10.1061/9780784479346.fm (proceedings frontmatter)

Conference

ConferenceInternational Conference on Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures (CONCREEP-10)
Abbreviated titleCONCREEP-10
CountryAustria
CityVienna
Period21/09/1523/09/15
Internet address

Cite this

Li, C., Chen, S., Lu, Y., & Duan, W. (2015). Molecular dynamics simulations of graphene pull-out from calcium silicate hydrate. In C. Hellmich, B. Pichler, & J. Kollegger (Eds.), CONCREEP 10: Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete and Concrete Structures (pp. 913 - 918). Reston VA USA: American Society of Civil Engineers. https://doi.org/10.1061/9780784479346