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- W2898067241 abstract "First principles calculations based on density functional theory (DFT) and molecular dynamic were performed in the aim to investigate the effect of polyethylene monomer content on the electronic and mechanical properties of single-walled carbon nanotubes (SWCNTs). The main results of simulations reveal that the interfacial interaction between PE and nanotubes enhances, afterwards t decreases. The effects of functionnalization and chirality (the diameter) of the nanotubes on the Young modulus and on interactions energies, were first simulated and then determined by molecular dynamics, while basing on physical model R.V.E of the nanocomposites polyethylene /SWNT. Results of interactions energies and of the Young modulus (longitudinal and transverse) validate the tendency of the experimental results reported in the literature. An increase lengths and a reduction in the diameters of the nanotubes imply an increase in interactions energies and the Young modulus, which means well mechanical behavior nanocomposites." @default.
- W2898067241 created "2018-10-26" @default.
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- W2898067241 date "2017-12-01" @default.
- W2898067241 modified "2023-09-25" @default.
- W2898067241 title "Estimation of the Young Modulus and Binding Energies of Polyethylene/ Nanotube Nanocomposites" @default.
- W2898067241 doi "https://doi.org/10.1109/irsec.2017.8477371" @default.
- W2898067241 hasPublicationYear "2017" @default.
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