Divergence of the thermal conductivity in uniaxially strained graphene
By Luiz Felipe Cavalcanti Pereira, Davide Donadio. 2013
138 citations recorded by the source corpus.
We investigate the effect of strain and isotopic disorder on thermal transport in suspended graphene by equilibrium molecular dynamics simulations. We show that the thermal conductivity of unstrained graphene, calculated from the fluctuations of the heat current at equilibrium, is finite and converges with size at finite temperature. In contrast, the thermal conductivity of strained graphene diverges logarithmically with the size of the models, when strain exceeds a relatively large threshold value of 2%. An analysis of phonon populations and lifetimes explains the divergence of the thermal conductivity as a consequence of changes in the occupation of low-frequency out-of-plane phonons and an increase in their lifetimes due to strain.
Subfields: Civil and Structural Engineering, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/ec67adc100dad9e93124977b338cdbd64965bcaf
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In Civil and Structural Engineering
- Xiaoying Zhuang
- Timon Rabczuk
- Xiaokun Gu
- Baowen Li
- Xiaobo Yin
- Yujie Wei
- Ronggui Yang
- Stéphane P.A. Bordas
In Materials Chemistry
- Xiaobo Yin
- Yujie Wei
- Xiaokun Gu
- Baowen Li
- Ronggui Yang
- Xiaoying Zhuang
- Timon Rabczuk
- Bohayra Mortazavi
Citations in the corpus
- Colloquium: Phononic thermal properties of two-dimensional materials (2017, background): “Phys., Vol. 90, No. 4, October–December 2018 041002-8 The equilibrium molecular dynamics (EMD) simulations of Pereira and Donadio (2013) also showed that stress-free graphene has a finite thermal conductivity.”
- Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC3 and BC6N semiconductors (2019, background): “Therefore, we can assert that thermal transport in BC3, BC6N-1 is isotropic along armchair and zigzag directions, in agreement with C3N, C2N [19] and graphene [75], while BC6N-2 presents anisotropic thermal transport characteristics.”