Chaotic dynamics of graphene and graphene nanoribbons

被引：9

作者：

Hillebrand, M. ^{[1
]}

Many Manda, B. ^{[1
]}

Kalosakas, G. ^{[2
]}

Gerlach, E. ^{[3
]}

Skokos, Ch. ^{[1
]}

机构：

[1] Univ Cape Town, Dept Math & Appl Math, ZA-7701 Cape Town, South Africa

[2] Univ Patras, Dept Mat Sci, GR-26504 Rion, Greece

[3] Tech Univ Dresden, Lohrmann Observ, D-01062 Dresden, Germany

来源：

CHAOS | 2020年 / 30卷 / 06期

基金：

新加坡国家研究基金会;

关键词：

LYAPUNOV CHARACTERISTIC EXPONENTS; THERMAL-CONDUCTIVITY; MOLECULAR-DYNAMICS; COMPUTATIONAL-EFFICIENCY; NUMERICAL-INTEGRATION; ELASTIC PROPERTIES; GAS; RECTIFICATION; MONOLAYER; DEFECT;

D O I：

10.1063/5.0007761

中图分类号：

O29 [应用数学];

学科分类号：

070104 ;

摘要：

We study the chaotic dynamics of graphene structures, considering both a periodic, defect free, graphene sheet and graphene nanoribbons (GNRs) of various widths. By numerically calculating the maximum Lyapunov exponent, we quantify the chaoticity for a spectrum of energies in both systems. We find that for all cases, the chaotic strength increases with the energy density and that the onset of chaos in graphene is slow, becoming evident after more than104natural oscillations of the system. For the GNRs, we also investigate the impact of the width and chirality (armchair or zigzag edges) on their chaotic behavior. Our results suggest that due to the free edges, the chaoticity of GNRs is stronger than the periodic graphene sheet and decreases by increasing width, tending asymptotically to the bulk value. In addition, the chaotic strength of armchair GNRs is higher than a zigzag ribbon of the same width. Furthermore, we show that the composition of12Cand13Ccarbon isotopes in graphene has a minor impact on its chaotic strength.

引用

页数：8

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