International Journal of Physics | Vol. 1, No. 7, July 2010 | pp. 49–56
Research Article
Title: Anomalous Thermal Transport in Single-Layer Graphene Ribbons with Isotopic Defects
Names of Authors: R. S. Tan¹, S. T. Wu²
Authors’ Affiliations: ¹Department of Physics, National University of Singapore, Singapore; ²School of Physics, Peking University, Beijing, China
Abstract: Nonequilibrium molecular dynamics simulations were conducted to examine thermal conductivity kappa in rectangular graphene ribbons possessing random carbon-13 isotope substitutions. Concentration fractions c of isotopic impurities varied from 0.01 to 0.50. The room-temperature thermal conductivity decreases from a pristine baseline value of kappa = 3100 W/mK down to 850 W/mK at c = 0.50 due to enhanced mass-difference phonon scattering. Spectral energy analysis indicates that low-frequency acoustic phonons retain long mean free paths, whereas high-frequency optical modes experience substantial localization. By applying the Allen-Feldman theory alongside Green-Kubo formalisms, we establish that boundary scattering combined with isotopic point-defect disorder yields a temperature scaling of kappa proportional to T^(-1.2) in the 200 K to 400 K regime. These findings outline design limitations for thermal management in carbon-based nanoelectronic devices.
Keywords: Graphene, Thermal conductivity, Isotopic defects, Molecular dynamics, Phonon scattering
Manuscript Timeline: Received 02 April 2010, Revised 10 May 2010, Accepted 20 May 2010, Published 01 July 2010
Citation: Tan, R. S., & Wu, S. T. (2010). Anomalous Thermal Transport in Single-Layer Graphene Ribbons with Isotopic Defects. International Journal of Physics, 1(7), 49–56. DOI: 10.46882/2010/IJP/000007
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