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Information Journal Paper

Title

SIMULATION OF CARBON NANOTUBES AND ITS ALLOTROPES MANIPULATION BY MOLECULAR DYNAMICS APPROACH

Pages

  12-18

Abstract

 In this paper, the modeling and simulation of MANIPULATION of carbon nanoparticles have been investigated. The geometry plays a significant role in the dynamic behavior of nanoparticles MANIPULATION and the evaluation of different geometric shapes of nanoparticles in this process is very important. To examine the geometrical effects, the MANIPULATION of four different kinds of nano-carbon allotropes with the same mass has been studied. Furthermore, the MANIPULATION of carbon nanotubes with different diameters has been simulated. For this purpose, the molecular dynamics method was used to improve our knowledge and understanding about the nanoMANIPULATION processes and dynamics. It is found that the acting force on the tip decreases as the nanoparticle shape varies from sphere to cylinder in the MANIPULATION of carbon allotropes with the same mass, further the MANIPULATION is facilitated. In this state, the curvature radius of nanoparticle increases and the potential energy between nanoparticle and substrate reduces. In the MANIPULATION of nanotubes, the results of nanotubes MANIPULATION showed that increasing the diameter of the nanotube caused the force on the probe to increase. The indentation depth was extracted for each nanotube during the MANIPULATION process. The results indicated that by increasing the diameter of the nanotube, the indentation depth increases. According to the application of carbon-based structures and nanotubes as the drug carriers in medicine, the results of this study can be used to improve the experimental projects and reduce the time and cost of them.

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    APA: Copy

    HABIBNEJAD KORAYEM, MOHARAM, ASLANI PAYAN, HASAN, HOMAYOONI, AHMAD, & NOUHI HEFZABAD, ROUZBEH. (2016). SIMULATION OF CARBON NANOTUBES AND ITS ALLOTROPES MANIPULATION BY MOLECULAR DYNAMICS APPROACH. MODARES MECHANICAL ENGINEERING, 16(9), 12-18. SID. https://sid.ir/paper/179784/en

    Vancouver: Copy

    HABIBNEJAD KORAYEM MOHARAM, ASLANI PAYAN HASAN, HOMAYOONI AHMAD, NOUHI HEFZABAD ROUZBEH. SIMULATION OF CARBON NANOTUBES AND ITS ALLOTROPES MANIPULATION BY MOLECULAR DYNAMICS APPROACH. MODARES MECHANICAL ENGINEERING[Internet]. 2016;16(9):12-18. Available from: https://sid.ir/paper/179784/en

    IEEE: Copy

    MOHARAM HABIBNEJAD KORAYEM, HASAN ASLANI PAYAN, AHMAD HOMAYOONI, and ROUZBEH NOUHI HEFZABAD, “SIMULATION OF CARBON NANOTUBES AND ITS ALLOTROPES MANIPULATION BY MOLECULAR DYNAMICS APPROACH,” MODARES MECHANICAL ENGINEERING, vol. 16, no. 9, pp. 12–18, 2016, [Online]. Available: https://sid.ir/paper/179784/en

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