Mechanical Properties of Cement Reinforced with Pristine and Functionalized Carbon Nanotubes: Simulation Studies

Abstract

Concrete is well known for its compression resistance, making it suitable for any kind of construction. Several research studies show that the addition of carbon nanostructures to concrete allows for construction materials with both a higher resistance and durability, while having less porosity. Among the mentioned nanostructures are carbon nanotubes (CNTs), which consist of long cylindrical molecules with a nanoscale diameter. In this work, molecular dynamics (MD) simulations have been carried out, to study the effect of pristine or carboxyl functionalized CNTs inserted into a tobermorite crystal on the mechanical properties (elastic modulus and interfacial shear strength) of the resulting composites. The results show that the addition of the nanostructure to the tobermorite crystal increases the elastic modulus and the interfacial shear strength, observing a positive relation between the mechanical properties and the atomic interactions established between the tobermorite crystal and the CNT surface. In addition, functionalized CNTs present enhanced mechanical properties.

Nonlinear Vibration of Double-Walled Carbon Nanotubes Subjected to Mechanical Impact and Embedded on Winkler–Pasternak Foundation

“…Different practical applications of CNTs in various devices and materials or structures were recently reported [ 20 , 21 , 22 , 23 ], emphasizing their usefulness and efficiency. Baydin et al [ 20 ] presented a comprehensive review of the current developments in the field of carbon nanotube devices for quantum technology, discussing recent progress in the development of carbon-nanotube-based devices and strategies for revolutionizing computation, sensing, and communication as components of quantum technology.…”

“…Oh et al [ 21 ] proposed an application of carbon nanotubes (CNTs), a conductive carbon nanofiller, and polydimethylsiloxane as a polymer matrix, to fabricate a flexible pressure sensor, and its piezoresistive and capacitive pressure-sensing characteristics were deeply analyzed, emphasizing a great potential for practical applications in manufacturing pressure sensors. Merodio-Perea et al [ 22 ] studied the mechanical properties of cement reinforced with pristine and functionalized carbon nanotubes, showing that the incorporation of CNTs enhances the mechanical properties of tobermorite as a consequence of better interactions that are established at the cement–CNT interface. Páez-Pavón et al [ 23 ] reported interesting results of the addition of different types of carbon nanotubes on the microstructure and on the physical properties of cement paste.…”