Length-dependent thermal conductivity of single extended polymer chains

Líu, Jùn; Yang, Ronggui

doi:10.1103/physrevb.86.104307

Cited by 177 publications

(165 citation statements)

References 30 publications

(30 reference statements)

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“…In this pioneering work, it was found numerically that the thermal conductivity κ diverges with the system size N as κ ∝ N α with 0 < α < 1 which breaks the Fourier's heat conduction law [1]. Numerical simulations also confirm this anomalous heat conduction in diatomic Toda lattice [2], carbon nanotubes [3] and single polymer chains [4], to name a few. On the other hand, the 1D nonlinear lattices with external on-site potential such as Frenkel-Kontorova (FK) and φ 4 lattices show normal heat conduction [5][6][7].…”

Section: Introductionmentioning

confidence: 81%

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Stretch diffusion and heat conduction in one-dimensional nonlinear lattices

Gao

2016

Phys. Rev. E

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In the study of 1D nonlinear Hamiltonian lattices, the conserved quantities play an important role in determining the actual behavior of heat conduction. Besides the total energy, total momentum and total stretch could also be conserved quantities. In microcanonical Hamiltonian dynamics, the total energy is always conserved. It was recently argued by Das and Dhar that whenever stretch (momentum) is not conserved in a 1D model, the momentum (stretch) and energy fields exhibit normal diffusion. In this work, we will systematically investigate the stretch diffusions for typical 1D nonlinear lattices. No clear connection between the conserved quantities and heat conduction can be established. The actual situation is more complicated than what Das and Dhar claimed.

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Section: Introductionmentioning

confidence: 81%

“…Depends on the existence of onsite potential, the total momentum can be conserved or nonconserved. For φ 4 and combined (FK+φ 4 ) lattices, the total momentum is not conserved while the stretch diffusion is not normal. For FK lattice, the total momentum is not conserved and the stretch diffusion is normal.…”

Section: Discussionmentioning

confidence: 99%

Stretch diffusion and heat conduction in one-dimensional nonlinear lattices

Gao

2016

Phys. Rev. E

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“…However, with the recent availability of low-dimensional materials, it remains to verify whether thermal conductivity is still size/geometry independent. For one-dimensional (1D) lattice models [1][2][3][4][5] and quasi-1D nanostructures and polymers [6][7][8] , a length dependence of k asBL b (L is sample length) has been predicted theoretically and then experimentally verified for nanotubes 9 . The same question remains open for two-dimensional (2D) systems.…”

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confidence: 99%

Length-dependent thermal conductivity in suspended single-layer graphene

et al. 2014

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Graphene exhibits extraordinary electronic and mechanical properties, and extremely high thermal conductivity. Being a very stable atomically thick membrane that can be suspended between two leads, graphene provides a perfect test platform for studying thermal conductivity in two-dimensional systems, which is of primary importance for phonon transport in low-dimensional materials. Here we report experimental measurements and nonequilibrium molecular dynamics simulations of thermal conduction in suspended single-layer graphene as a function of both temperature and sample length. Interestingly and in contrast to bulk materials, at 300 K, thermal conductivity keeps increasing and remains logarithmically divergent with sample length even for sample lengths much larger than the average phonon mean free path. This result is a consequence of the two-dimensional nature of phonons in graphene, and provides fundamental understanding of thermal transport in two-dimensional materials.

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“…The class of materials that most closely resemble the 1D chains that have been studied previously [28][29][30][31][32] are polymers, specifically individual polymer molecules. Carbon nanotubes were once thought to also possibly exhibit divergence, but calculations performed by Mingo and Broido 29,33 as well as other molecular dynamics (MD) studies [34][35][36][37] confirmed that the thermal conductivity is large but still finite (non-divergent).…”

Section: Divergent Thermal Conductivity In Polymer Chainsmentioning

confidence: 99%

Understanding Divergent Thermal Conductivity in Single Polythiophene Chains Using Green–Kubo Modal Analysis and Sonification

Winters

DeAngelis

et al. 2017

J. Phys. Chem. A

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Abstract:We used molecular dynamics simulations, the Green-Kubo Modal Analysis (GKMA) method and sonification to study the modal contributions to thermal conductivity in individual polythiophene chains. The simulations suggest that it is possible to achieve divergent thermal conductivity and the GKMA method allowed for exact pinpointing of the modes responsible for the anomalous behavior. The analysis showed that transverse vibrations in the plane of the aromatic rings at low frequencies ~ 0.05 THz are primarily responsible. Further investigation showed that the divergence arises from persistent correlation between the three lowest frequency modes on chains. Sonification of the mode heat fluxes revealed regions where the heat flux amplitude yields a somewhat sinusoidal envelope with a long period similar to the relaxation time. This characteristic in the divergent mode heat fluxes gives rise to the overall thermal conductivity divergence, which strongly supports earlier hypotheses that attribute the divergence to correlated phonon-phonon scattering/interactions. Main text:In all substances, energy/heat is transferred through atomic motions. In electrically conductive materials, electrons can become the primary heat carriers, but in all phases of matter, atomic motions are always present and contribute to the thermal conductivity of every object. Here, we use the term "object" instead of "material" to emphasize that thermal conductivity is highly dependent on the actual structure of an object, that is, its internal atomic level structure and its larger nanoscale or microscale geometry [1][2][3][4][5][6] . In studying the physics of thermal conductivity, tremendous progress has been made over the last 20 years toward understanding various mechanisms that allow one to reduce thermal conductivity in solids 1,7 . This reduction is generally measured relative to a theoretical upper limiting maximum value that arises solely from the intrinsic anharmonicity within the interactions between atoms.In the limiting case, where the atomic interactions are perfectly harmonic, thermal conductivity tends to infinity because the normal modes of vibration do not interact, thus yielding effectively infinite phonon mean free paths and thermal conductivity. As a result, the notion of anharmonicity is critical, and perfectly harmonic interactions between atoms are physically unreasonable. This is because an asymmetry in the energetic well between atoms is an inherent consequence of finite bonding energy (e.g., at some point, the potential energy surface must become concave down). Although one can approach the harmonic limit at cryogenic temperatures, the notion that divergent thermal conductivity (e.g., anomalous thermal conductivity) might be realizable in a real material at room temperature seems theoretically impossible. However, in 1955 Fermi, Pasta, and Ulam (FPU) 8 made a "shocking little discovery" that even an anharmonic system can exhibit infinite thermal conductivity.FPU conducted a numerical experiment with a one-dimensio...

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Length-dependent thermal conductivity of single extended polymer chains

Cited by 177 publications

References 30 publications

Stretch diffusion and heat conduction in one-dimensional nonlinear lattices

Stretch diffusion and heat conduction in one-dimensional nonlinear lattices

Length-dependent thermal conductivity in suspended single-layer graphene

Understanding Divergent Thermal Conductivity in Single Polythiophene Chains Using Green–Kubo Modal Analysis and Sonification

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