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Author Srivastava, Ashish Kumar ♦ Singh, Akhileshwar ♦ Mokhalingam, A. ♦ Kumar, Dinesh
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword NANOSCIENCE AND NANOTECHNOLOGY ♦ ALUMINIUM ♦ APPROXIMATIONS ♦ ATOMS ♦ CARBON NANOTUBES ♦ COMPARATIVE EVALUATIONS ♦ COMPUTER CODES ♦ COMPUTERIZED SIMULATION ♦ INTERACTIONS ♦ MECHANICAL PROPERTIES ♦ MOLECULAR DYNAMICS METHOD ♦ NANOCOMPOSITES ♦ PERIODICITY
Abstract Atomistic simulations were conducted to estimate the effect of the carbon nanotube (CNT) reinforcement on the mechanical behavior of CNT-reinforced aluminum (Al) nanocomposite. The periodic system of CNT-Al nanocomposite was built and simulated using molecular dynamics (MD) software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator). The mechanical properties of the nanocomposite were investigated by the application of uniaxial load on one end of the representative volume element (RVE) and fixing the other end. The interactions between the atoms of Al were modeled using embedded atom method (EAM) potentials, whereas Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential was used for the interactions among carbon atoms and these pair potentials are coupled with the Lennard-Jones (LJ) potential. The results show that the incorporation of CNT into the Al matrix can increase the Young’s modulus of the nanocomposite substantially. In the present case, i.e. for approximately 9 with % reinforcement of CNT can increase the axial Young’s modulus of the Al matrix up to 77 % as compared to pure Al.
ISSN 0094243X
Educational Use Research
Learning Resource Type Article
Publisher Date 2016-05-06
Publisher Place United States
Volume Number 1728
Issue Number 1


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