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Simulations of Double Walled Carbon Nanotube

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Uploaded by on Jan 22, 2009

Depicts multiple MD simulations of a double walled carbon nanotube, (8,8) inner tube with a (12,12) outer tube, using Tersoff and LJ potentials.

Laboratory of Atomic Molecular Mechanics, Department of Civil and Environmental Engineering, M.I.T.
http://web.mit.edu/mbuehler/www/

Atomistic simulation using LAMMPS
http://lammps.sandia.gov/

Movie made using VMD
http://www.ks.uiuc.edu/Research/vmd/

Contact: cranford@mit.edu

Jan. 2009

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  • NAMD is not the only way, GROMACS is free, has very good forcefields, and since so many people use it, you will find a whole lot of help on the internet. Good luck.

  • Hi Im currently writing out a thesis on Buckling of CNT.

    I have come to find the best way to get results for my thesis is to use MD-simulation software.

    Problem; Ive tried to use NAMD, but to be truthful I have no idea what i am doing.

    If you may be of assistance that would be great and very helpful, as I am running out of time in presenting some initial results.

    Please give me some guides on what i need and how to get it.

    Thank you.

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