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Nanoscience and Technology: An International Journal
ESCI SJR: 0.219 SNIP: 0.484 CiteScore™: 0.37

ISSN Print: 2572-4258
ISSN Online: 2572-4266

Nanoscience and Technology: An International Journal

Formerly Known as Nanomechanics Science and Technology: An International Journal

DOI: 10.1615/NanomechanicsSciTechnolIntJ.v4.i1.10
pages 1-27

MOLECULAR DYNAMICS SIMULATION OF CARBON NANOTUBES

Sumit Sharma
B.R. Ambedkar National Institute of Technology, Jalandhar, India
Rakesh Chandra
Department of Mechanical Engineering, Dr. B. R. Ambedkar National Institute of Technology, Jalandhar, India
Pramod Kumar
Department of Mechanical Engineering, Dr. B. R. Ambedkar National Institute of Technology, Jalandhar, India
Navin Kumar
School of Mechanical, Materials & Energy Engineering (SMMEE), Indian Institute of Technology, Ropar, India

ABSTRACT

The elastic properties of single-wall carbon nanotubes (SWCNTs) have been determined using molecular dynamics (MD) simulation. The mechanical properties of three types of SWCNTs, viz., armchair, zigzag, and chiral nanotubes, have been evaluated. From computational results it can be concluded that Young's moduli of SWCNTs decrease with increase in the radius of SWCNT and increase with the CNT volume fractions V and aspect ratios l/d.


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