Molecular Dynamics Simulation of the Formation Process of Fullerene

500 carbon atoms expressed by the modified Brenner potential were randomly located in a 34.2 nm x 34.2 nm cubic box. The translational, rotational, and vibrational temperature of clusters were independently controlled to the equilibrium at 3000K.

Motion Pictures

Animation of Fullerene Formation

light version = 197KB
detailed version = 536KB

What are precursors?

Drag Mouse to Rotate Clusters
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Click Here to Investigate
Each Precursor by the Molecule Viewer

Growth to C₇₀ by the Molecular Dynamics Simulation

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The Final Stage to the Perfect Fullerene

Stone-Wales rearangements to the perfect fullerene C₆₀ by the simulation.

Metal-Containing Fullerene (New!)

Animation and JAVA of Metal-Containing Fullerene Formation

A Molecular Dynamics Simulation of the Fullerene Formation Process

Yasutaka YAMAGUCHI and Shigeo MARUYAMA, Chem. Phys. Lett., 286 (1998), 336.

A Molecular Dynamics Demonstration of Annealing to a Perfect C₆₀ Structure

Shigeo MARUYAMA and Yasutaka YAMAGUCHI, Chem. Phys. Lett., 286 (1998), 343.

A Molecular Dynamics of the Formation Process of Fullerene (1st Report, The formation of caged structure and controlled temperature)

Yasutaka YAMAGUCHI and Shigeo MARUYAMA, Trans. JSME, Ser. B, 63-611 (1997), 2398.

A Molecular Dynamics of the Formation Process of Fullerene (2nd Report, Annealing to the perfect C₆₀ structure)

Shigeo MARUYAMA and Yasutaka YAMAGUCHI, Trans. JSME, Ser. B, 63-611 (1997), 2405.

Molecular Simulations of the Formation Process of Fullerene

Yasutaka YAMAGUCHI and Shigeo MARUYAMA, ICHMT Symposium Molecular & Microscale Heat Transfer, Yokohama, Dec. 1-5, 1996.

• Link to Shigeo Maruyama home page

• Link to Yasutaka Yamaguchi home page

• Link to Shoji-Maruyama Lab. home page

• Dept. of Mech. Engng. home page