Interfacial Shear Strength of Single-Walled Carbon Nanotubes-Cement Composites from Molecular Dynamics and Finite Element Studies

  1. Talayero Giménez de Azcárate, Carlos Alberto 1
  2. Lado Touriño, Isabel 1
  3. Ait Salem Duque, Omar 2
  4. Sánchez Ramos, Ismael 2
  5. Páez Pavón, Alicia 1
  6. G. Merodio-Perea, Rosario 1
  1. 1 Universidad Europea de Madrid
    info

    Universidad Europea de Madrid

    Madrid, España

    ROR https://ror.org/04dp46240

  2. 2 Hexagon HMI, 28050 Madrid, Spain
Revista:
Materials

ISSN: 1996-1944

Año de publicación: 2023

Volumen: 16

Número: 5

Páginas: 1992

Tipo: Artículo

DOI: 10.3390/MA16051992 GOOGLE SCHOLAR lock_openAcceso abierto editor

Otras publicaciones en: Materials

Resumen

Carbon nanotubes (CNTs) are nanometer-sized structures that can be used to reinforce cement matrices. The extent to which the mechanical properties are improved depends on the interfacial characteristics of the resulting materials, that is, on the interactions established between the CNTs and the cement. The experimental characterization of these interfaces is still impeded by technical limitations. The use of simulation methods has a great potential to give information about systems lacking experimental information. In this work, molecular dynamics (MD) and molecular mechanics (MM) were used in conjunction with finite element simulations to study the interfacial shear strength (ISS) of a structure formed by a pristine single-walled CNT (SWCNT) inserted in a tobermorite crystal. The results show that, for a constant SWCNT length, ISS values increase when the SWCNT radius increases, while for a constant SWCNT radius, shorter lengths enhance ISS values.

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