Methods for modeling composites reinforced with carbon nanotubes: review and perspectives

Yankovskaya U.I., Starostenkov M.D., Medvedev N.N., Zakharov P.V.
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The study of the structural characteristics of composites and nanostructures is of fundamental importance in materials science. Theoretical and numerical modeling and simulation of the mechanical properties of nanostructures is the main tool that allows for complex studies that are difficult to conduct only experimentally. One example of nanostructures considered in this work are carbon nanotubes (CNTs), which have good thermal and electrical properties, as well as low density and high Young’s modulus, making them the most suitable reinforcement element for composites, for potential applications in aerospace, automotive, metallurgical and biomedical industries. In this review, we reviewed the modeling methods, mechanical properties, and applications of CNT-reinforced metal matrix composites. Some modeling methods applicable in the study of composites with polymer and metal matrices are also considered. Methods such as the gradient descent method, the Monte Carlo method, methods of molecular statics and molecular dynamics are considered. Molecular dynamics simulations have been shown to be excellent for creating various composite material systems and studying the properties of metal matrix composites reinforced with carbon nanomaterials under various conditions. This paper briefly presents the most commonly used potentials that describe the interactions of composite modeling systems. The correct choice of interaction potentials between parts of composites directly affects the description of the phenomenon being studied. The dependence of the mechanical properties of composites on the volume fraction of the diameter, orientation, and number of CNTs is detailed and discussed. It has been shown that the volume fraction of carbon nanotubes has a significant effect on the tensile strength and Young’s modulus. The CNT diameter has a greater impact on the tensile strength than on the elastic modulus. An example of works is also given in which the effect of CNT length on the mechanical properties of composites is studied. In conclusion, we offer perspectives on the direction of development of molecular dynamics modeling in relation to metal matrix composites reinforced with carbon nanomaterials.

Keywords: molecular dynamics method, modeling, mechanical properties, carbon nanotube, reinforcement
Citation in English: Yankovskaya U.I., Starostenkov M.D., Medvedev N.N., Zakharov P.V. Methods for modeling composites reinforced with carbon nanotubes: review and perspectives // Computer Research and Modeling, 2024, vol. 16, no. 5, pp. 1143-1162
Citation in English: Yankovskaya U.I., Starostenkov M.D., Medvedev N.N., Zakharov P.V. Methods for modeling composites reinforced with carbon nanotubes: review and perspectives // Computer Research and Modeling, 2024, vol. 16, no. 5, pp. 1143-1162
DOI: 10.20537/2076-7633-2024-16-5-1143-1162
URL: http://crm-en.ics.org.ru/journal/article/3522/
Creative Commons License This work is licensed under a Creative Commons Attribution-NoDerivs 3.0 Unported License.

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