Mechanical Properties of Cement Reinforced with Pristine and Functionalized Carbon Nanotubes: Simulation Studies
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. Amo...
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MDPI AG
2022-11-01
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| Series: | Materials |
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| Online Access: | https://www.mdpi.com/1996-1944/15/21/7734 |
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| author | Rosario G. Merodio-Perea Isabel Lado-Touriño Alicia Páez-Pavón Carlos Talayero Andrea Galán-Salazar Omar Aït-Salem |
| author_facet | Rosario G. Merodio-Perea Isabel Lado-Touriño Alicia Páez-Pavón Carlos Talayero Andrea Galán-Salazar Omar Aït-Salem |
| author_sort | Rosario G. Merodio-Perea |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-09T18:53:13Z |
| format | Article |
| id | doaj.art-cc00a93aac614ca78816fe79acfee93b |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-09T18:53:13Z |
| publishDate | 2022-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Materials |
| spelling | doaj.art-cc00a93aac614ca78816fe79acfee93b2023-11-24T05:39:59ZengMDPI AGMaterials1996-19442022-11-011521773410.3390/ma15217734Mechanical Properties of Cement Reinforced with Pristine and Functionalized Carbon Nanotubes: Simulation StudiesRosario G. Merodio-Perea0Isabel Lado-Touriño1Alicia Páez-Pavón2Carlos Talayero3Andrea Galán-Salazar4Omar Aït-Salem5Department of Industrial and Aerospace Engineering, School of Architecture, Engineering and Design, Universidad Europea de Madrid, 28670 Villaviciosa de Odón, SpainDepartment of Industrial and Aerospace Engineering, School of Architecture, Engineering and Design, Universidad Europea de Madrid, 28670 Villaviciosa de Odón, SpainDepartment of Industrial and Aerospace Engineering, School of Architecture, Engineering and Design, Universidad Europea de Madrid, 28670 Villaviciosa de Odón, SpainDepartment of Industrial and Aerospace Engineering, School of Architecture, Engineering and Design, Universidad Europea de Madrid, 28670 Villaviciosa de Odón, SpainDepartment of Industrial and Aerospace Engineering, School of Architecture, Engineering and Design, Universidad Europea de Madrid, 28670 Villaviciosa de Odón, SpainDepartment of Industrial and Aerospace Engineering, School of Architecture, Engineering and Design, Universidad Europea de Madrid, 28670 Villaviciosa de Odón, SpainConcrete 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.https://www.mdpi.com/1996-1944/15/21/7734cementcarbon nanotubesmolecular dynamicsmechanical propertiespull-outinterfacial shear strength |
| spellingShingle | Rosario G. Merodio-Perea Isabel Lado-Touriño Alicia Páez-Pavón Carlos Talayero Andrea Galán-Salazar Omar Aït-Salem Mechanical Properties of Cement Reinforced with Pristine and Functionalized Carbon Nanotubes: Simulation Studies Materials cement carbon nanotubes molecular dynamics mechanical properties pull-out interfacial shear strength |
| title | Mechanical Properties of Cement Reinforced with Pristine and Functionalized Carbon Nanotubes: Simulation Studies |
| title_full | Mechanical Properties of Cement Reinforced with Pristine and Functionalized Carbon Nanotubes: Simulation Studies |
| title_fullStr | Mechanical Properties of Cement Reinforced with Pristine and Functionalized Carbon Nanotubes: Simulation Studies |
| title_full_unstemmed | Mechanical Properties of Cement Reinforced with Pristine and Functionalized Carbon Nanotubes: Simulation Studies |
| title_short | Mechanical Properties of Cement Reinforced with Pristine and Functionalized Carbon Nanotubes: Simulation Studies |
| title_sort | mechanical properties of cement reinforced with pristine and functionalized carbon nanotubes simulation studies |
| topic | cement carbon nanotubes molecular dynamics mechanical properties pull-out interfacial shear strength |
| url | https://www.mdpi.com/1996-1944/15/21/7734 |
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