Depressing thermal conductivity of fullerene by caging rare gas

Jian Li, Dong-Qin Zheng and Wei-Rong Zhong

Physica A: Statistical Mechanics and its Applications, 2016, vol. 441, issue C, 230-236

Abstract: We have investigated the thermal conductivity of C60 and its derivatives caged with rare gas by using the nonequilibrium molecular dynamics method. It is reported that embedding C60 with different rare gas atoms has a significant impact on its thermal conductivity. We analyze the phenomenon through the phonon spectra of rare gas atom and the C–C bonds length of C60. When the number of atoms inside the C60 increases, the phonon spectra band width of rare gas expands and the length of C–C bonds becomes longer, which contributes to the depression of the thermal conductivity of C60. The method is applied to control the thermal conductivity of C60 chains, which maybe a kind of potential materials in thermal circuits. Our results also provide a controllable method for the thermal management in nanoscale materials.

Keywords: Heat conduction; Transp irreversible thermodynamics; Fullerenes and fullerene-related materials; Phonons in low-dimensional structures and small particles; Thermodynamicsort processes; Nonequilibrium (search for similar items in EconPapers)
Date: 2016
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:441:y:2016:i:c:p:230-236

DOI: 10.1016/j.physa.2015.07.015

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