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A Conversion Dynamics of (C 60 ) 2 Dimer Fullerenes to a Fused Dimer Cage in Carbon Nanopeapods: Tight‐Binding Molecular Dynamics Simulation
Author(s) -
Lee Changhoon,
Lee Ji Young,
Osawa Eiji,
Lee Kee Hag
Publication year - 2019
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
ISSN - 1229-5949
DOI - 10.1002/bkcs.11868
Subject(s) - dimer , fullerene , molecular dynamics , fragmentation (computing) , cage , chemical physics , chemistry , dynamics (music) , carbon fibers , molecular physics , computational chemistry , materials science , crystallography , physics , computer science , mathematics , combinatorics , organic chemistry , composite number , composite material , acoustics , operating system
Snapshots of the fragmentation process for the carbon nanopeapod (CNP) at 5000 K as a function of the simulation time step (unit: 0.708 fs).
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