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Molecular Dynamics simulation based investigation of possible enhancement in strength and ductility of nanocrystalline aluminum by CNT reinforcement

Pal, S and Babu, PN and Gargeya, BSK and Becquart, CS (2020) Molecular Dynamics simulation based investigation of possible enhancement in strength and ductility of nanocrystalline aluminum by CNT reinforcement. In: Materials Chemistry and Physics, 243 .

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Official URL: https://doi.org/10.1016/j.matchemphys.2019.122593

Abstract

Molecular dynamics (MD) based study of nanocrystalline (NC) Al and CNT (carbon nanotube) reinforced NC Al specimens having grain sizes ~9 nm have been carried out under tensile loading using hybrid potentials for different temperatures (10 K, 300 K and 681 K) at a particular strain rate of 1010 s−1. Structural variation and defect evolution during the deformation have been investigated. An enhancement in both strength and ductility is observed in case of the CNT embedded NC Al specimens with respect to NC Al specimen and such improvement is significant in case of (30,30) CNT embedded NC Al specimen. It is also found that NC Al matrix is fractured first, then the CNT at lower test temperature, whereas at high temperature, the CNT fractures before the matrix.

Item Type: Journal Article
Publication: Materials Chemistry and Physics
Publisher: Elsevier Ltd
Additional Information: The copyright for this article belongs to the Author.
Keywords: Carbon nanotubes; Ductility; Molecular dynamics; Nanocrystalline materials; Nanocrystals; Reinforcement; Strain rate; Tensile stress, High temperature; Molecular dynamics simulations; Nanocrystalline aluminum; Nanocrystallines; Strength and ductilities; Structural variations; Tensile loading; Test temperatures, Aluminum
Department/Centre: Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Date Deposited: 04 Jan 2023 10:03
Last Modified: 04 Jan 2023 10:03
URI: https://eprints.iisc.ac.in/id/eprint/79419

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