Campus Units
Electrical and Computer Engineering, Mechanical Engineering
Document Type
Article
Publication Version
Published Version
Publication Date
3-2017
Journal or Book Title
Applied Physics Letters
Volume
110
Issue
13
First Page
133107
DOI
10.1063/1.4979315
Abstract
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.
Copyright Owner
American Institute of Physics
Copyright Date
2017
Language
en
File Format
application/pdf
Recommended Citation
Davies, Michael; Ganapathysubramanian, Baskar; and Balasubramanian, Ganesh, "Optimizing isotope substitution in graphene for thermal conductivity minimization by genetic algorithm driven molecular simulations" (2017). Mechanical Engineering Publications. 214.
https://lib.dr.iastate.edu/me_pubs/214
Comments
This article is from Davies, Michael, Baskar Ganapathysubramanian, and Ganesh Balasubramanian. "Optimizing isotope substitution in graphene for thermal conductivity minimization by genetic algorithm driven molecular simulations." Applied Physics Letters 110, no. 13 (2017): 133107. DOI:10.1063/1.4979315. Posted with permission.