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Mechanical properties and structures of bulk nanomaterials based on carbon nanopolymorphs
Author(s) -
Baimova Julia A.,
Liu Bo,
Dmitriev Sergey V.,
Zhou Kun
Publication year - 2014
Publication title -
physica status solidi (rrl) – rapid research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.786
H-Index - 68
eISSN - 1862-6270
pISSN - 1862-6254
DOI - 10.1002/pssr.201409063
Subject(s) - nanomaterials , materials science , hydrostatic pressure , fullerene , nanotechnology , graphene , carbon nanotube , carbon fibers , supercapacitor , molecular dynamics , composite material , chemistry , capacitance , thermodynamics , composite number , computational chemistry , physics , organic chemistry , electrode
Bulk nanomaterials based on sp 2 carbon nanopolymorphs are promising candidates for supercapacitors due to their unique properties such as extremely high specific surface area, high conductivity and stability against graphitization. However, the mechanical response of such materials to external loading is not understood well. This Letter studies the effect of hydrostatic pressure on the mechanical properties and structures of these materials via molecular dynamics simulations. Three types of nanopolymorphs‐based nanomaterials that are composed of bended graphene flakes, short carbon nanotubes and fullerenes are considered. It is found that these three materials show a distinct relation between the pressure and volume strain. Moreover, their resistance to graphitization depends on the structure of their constituent components. The phenomena are explained by analysing the radial distribution function and coordination numbers of the atoms. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)