Journal
APPLIED PHYSICS LETTERS
Volume 110, Issue 13, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4979315
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Funding
- National Science Foundation (NSF) [CMMI-1404938]
- Div Of Civil, Mechanical, & Manufact Inn
- Directorate For Engineering [1404938] Funding Source: National Science Foundation
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We present results from a computational framework integrating genetic algorithm and molecular dynamics simulations to systematically design isotope engineered graphene structures for reduced thermal conductivity. In addition to the effect of mass disorder, our results reveal the importance of atomic distribution on thermal conductivity for the same isotopic concentration. Distinct groups of isotope-substituted graphene sheets are identified based on the atomic composition and distribution. Our results show that in structures with equiatomic compositions, the enhanced scattering by lattice vibrations results in lower thermal conductivities due to the absence of isotopic clusters. Published by AIP Publishing.
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