Simulação de Fulerenos e Nanotubos de Carbono

O Cluster Science Collaboration (CSC) é um grupo de interesse acadêmico do Michigan State University que promove pesquisa fundamental em clusters atômicos. Cientistas do Departamento de Física e Astronomia, assim como do Departamento de Ciência da Computação estão ativamente involucrados na simulação da dinâmica molecular de agregados de uns quantos milhões de átomos.

Carbon nanotubes
Simulation of double-wall carbon nanotube melting
Simulation of a nanotube-based memory element
Simulation of C240-C60 collisions
Simulation of C60 melting
Simulation of Nano-"Velcro"
Formation of a "Nano-Peapod"
Molecular Switch
Simulations of ferrofluids

Pode-se encontrar disponível no site muitos dos trabalhos publicados pelo grupo (*.PDF).
Ver link de E- PRINT ARCHIVE.

"Electronic and Structural Properties of Carbon Nano-Horns" Savas Berber, Young-Kyun Kwon, and David Tomanek Phys. Rev. B 62, R2291 (2000).

"Unusually High Thermal Conductivity of Carbon Nanotubes" Savas Berber, Young-Kyun Kwon, and David Tomanek Phys. Rev. Lett. 84, 4613 (2000).

"Orientational Melting in Carbon Nanotube Ropes" Young-Kyun Kwon, and David Tomanek Phys. Rev. Lett. 84, 1483 (2000).

"Fractional Quantum Conductance in Carbon Nanotubes" Stefano Sanvito, Young-Kyun Kwon, David Tomanek, and Colin J. Lambert Phys. Rev. Lett. 84, 1974 (2000).

"Laser driven atomic pump" Petr Kral and David Tomanek Phys. Rev. Lett. 82, 5373 (1999).

"Bucky-Shuttle" Memory Device: Synthetic Approach and Molecular Dynamics Simulations Young-Kyun Kwon, David Tomanek, and Sumio Iijima Phys. Rev. Lett. 82, 1470 (1999).

Electronic and Structural Properties of Multi-Wall Carbon Nanotubes Young-Kyun Kwon and David Tomanek Phys. Rev. B 58, R16001 (1998).

Effect of inter-tube coupling on the electronic structure of carbon nanotube ropes Young-Kyun Kwon, Susumu Saito, and David Tomanek Phys. Rev. B 58, R13314 (1998).

Do carbon nanotubes spin when bundled? Young-Kyun Kwon, David Tomanek, Young Hee Lee, Kee Hag Lee, and Susumu Saito J. Mater. Res. 13, 2363-2367 (1998)

Morphology and stability of growing multi-wall carbon nanotubes Young-Kyun Kwon, Young Hee Lee, Seong-Gon Kim, Philippe Jund, David Tomanek, and Richard E. Smalley Phys. Rev. Lett. 79, 2065 (1997)



Fonte:

David Tomanek at Michigan State University /tomanek@pa.msu.edu
Document http://www.pa.msu.edu/cmp/csc/eprint/index.html