Abstract :
By the Tersoff potential based molecular
dynamics (MD) method, the melting and axial compression
of the (5,5) C, SiC, and Si nanotubes are simulated, and
their molecular configurations, atomic radial distribution
functions (RDF) and energy changes during heating-up, as
well as their compressive force–strain curves, are obtained.
According to the computed results, the differences of the
melting and compressive mechanical properties of the three
nanotubes are discussed. It is found that the melting C, SiC,
and Si nanotubes have netlike, loose spherical and compact
spherical configurations respectively, and that the C
nanotube has the highest melting point, specific heat,
melting heat and load support capability, whereas the Si
nanotube has the lowest ones
