Physics – Condensed Matter – Materials Science
Scientific paper
2006-08-24
Physics
Condensed Matter
Materials Science
7 Pages, 5 figures, accepted to Phys. Rev. B
Scientific paper
10.1103/PhysRevB.74.155401
Heat conduction of single-walled carbon nanotubes (SWNTs) isotope-superlattice is investigated by means of classical molecular dynamics simulations. Superlattice structures were formed by alternately connecting SWNTs with different masses. On varying the superlattice period, the critical value with minimum effective thermal conductivity was identified, where dominant physics switches from zone-folding effect to thermal boundary resistance of lattice interface. The crossover mechanism is explained with the energy density spectra where zone-folding effects can be clearly observed. The results suggest that the critical superlattice period thickness depends on the mean free path distribution of diffusive-ballistic phonons. The reduction of the thermal conductivity with superlattice structures beats that of the one-dimensional alloy structure, though the minimum thermal conductivity is still slightly higher than the value obtained by two-dimensional random mixing of isotopes.
Maruyama Shigeo
Shiomi Junichiro
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