Molecular Dynamics Simulation of Growth Process of SWNTs
by Catalytic CVD Method

Japanese Mode is Here

Updated: '02/7/25

Y. Shibuta and S. Maruyama

Ni particle (108 atoms) of about 1.2 nm diameter.


Covalent bond between C-C:Brenner potential
Van der Waals Force: Lennard-Jones potential
C-Ni, Ni-Ni: Original Potential from Y. Yamagichi & S. Maruyama, Euro. Phys. J. D, 9(1999), 385.

Carbon atoms (Hydrocarbon molecules) can make covalent bonding only when both atoms were attaching to the surface of catalytic metals.

Contact: maruyama [at]