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Ballistic Thermal Transport in Carbyne and Cumulene with Micron-Scale Spectral Acoustic Phonon Mean Free Path

Title: Ballistic Thermal Transport in Carbyne and Cumulene with Micron-Scale Spectral Acoustic Phonon Mean Free Path.
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Name(s): Lin, Sangchao, author
Wang, Mingchao, author
Type of Resource: text
Genre: text
Date Issued: 2015-12-10
Physical Form: computer
Physical Form: online resource
Extent: 1 online resource
Language(s): English
Abstract/Description: The elastic modulus of carbyne, a one-dimensional carbon chain, was recently predicted to be much higher than graphene. Inspired by this discovery and the fundamental correlation between elastic modulus and thermal conductivity, we investigate the intrinsic thermal transport in two carbon allotropes: carbyne and cumulene. Using molecular dynamics simulations, we discover that thermal conductivities of carbyne and cumulene at the quantum-corrected room temperature can exceed 54 and 148 kW/m/K, respectively, much higher than that for graphene. Such conductivity is attributed to high phonon energies and group velocities, as well as reduced scattering from non-overlapped acoustic and optical phonon modes. The prolonged spectral acoustic phonon lifetime of 30–110 ps and mean free path of 0.5–2.5 μm exceed those for graphene, and allow ballistic phonon transport along micron-length carbon chains. Tensile extensions can enhance the thermal conductivity of carbyne due to the increased phonon density of states in the acoustic modes and the increased phonon lifetime from phonon bandgap opening. These findings provide fundamental insights into phonon transport and band structure engineering through tensile deformation in low-dimensional materials, and will inspire studies on carbyne, cumulene, and boron nitride chains for their practical deployments in nano-devices.
Identifier: FSU_libsubv1_scholarship_submission_1475610677 (IID), 10.1038/srep18122 (DOI)
Publication Note: Publisher's Version Also Available at https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4674807/
Preferred Citation: Wang, M., & Lin, S. (2015). Ballistic Thermal Transport in Carbyne and Cumulene with Micron-Scale Spectral Acoustic Phonon Mean Free Path. Scientific reports, 5.
Persistent Link to This Record: http://purl.flvc.org/fsu/fd/FSU_libsubv1_scholarship_submission_1475610677
Owner Institution: FSU
Is Part Of: Scientific Reports.
Issue: vol. 5

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Lin, S., & Wang, M. (2015). Ballistic Thermal Transport in Carbyne and Cumulene with Micron-Scale Spectral Acoustic Phonon Mean Free Path. Scientific Reports. Retrieved from http://purl.flvc.org/fsu/fd/FSU_libsubv1_scholarship_submission_1475610677