Divergence of the Thermal Conductivity in Uniaxially Strained Graphene

Abstract

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.

6 pages, 7 figures. Accepted for publication in Physical Review B

References in corpus (4)

• Uniaxial Strain in Graphene by Raman Spectroscopy: G peak splitting, Gruneisen Parameters and Sample Orientation
• Thermal Conductivity and Thermal Rectification in Graphene Nanoribbons: a Molecular Dynamics Study
• Thermal conductivity of suspended pristine graphene measured by Raman spectroscopy
• Anomalous Size Dependence of the Thermal Conductivity of Graphene Ribbons

Cited by in corpus (42)

• Length-dependent thermal conductivity in suspended single-layer graphene
• Phononic thermal properties of two-dimensional materials
• Force and heat current formulas for many-body potentials in molecular dynamics simulation with applications to thermal conductivity calculations
• First-Principles Prediction of Phononic Thermal Conductivity of Silicene: a Comparison with Graphene
• Thermal conductivity decomposition in two-dimensional materials: Application to graphene
• Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC${}_3$ and BC${}_6$N semiconductors
• Mechanical properties and thermal conductivity of graphitic carbon nitride: A molecular dynamics study
• Thermal Conductivity and Mechanical Properties of Nitrogenated Holey Graphene
• Highly Anistoropic Thermal Conductivity of Arsenene: An ab initio Study
• N-Graphdiyne two-dimensional nanomaterials: Semiconductors with low thermal conductivity and high stretchability
• Amorphized graphene: A stiff material with low thermal conductivity
• Scaling Properties of Polycrystalline Graphene: A Review
• Is Thermal Conductivity of Graphene Divergent and Higher Than Diamond?
• Equivalence of the equilibrium and the nonequilibrium molecular dynamics methods for thermal conductivity calculations: From bulk to nanowire silicon
• Spectral Decomposition of Thermal Conductivity: Comparing Velocity Decomposition Methods in Homogeneous Molecular Dynamics Simulations
• Anisotropic thermal conductivity and mechanical properties of phagraphene: A molecular dynamics study
• Hybrid neural network potential for multilayer graphene
• Anomalous heat transport in one dimensional systems: a description using non-local fractional-type diffusion equation
• Graphene Helicoid: The Distinct Properties Promote Application of Graphene Related Materials in Thermal Management
• Thermal conductivity of one-, two- and three-dimensional carbon
• Light propagation in quasiperiodic dieletric multilayers separated by graphene
• Tuning morphology and thermal transport of asymmetric smart polymer blends by macromolecular engineering
• An efficient thermal diode with ballistic spacer
• Phonon renormalization induced by electric field in ferroelectric P(VDF-TrFE) nanofibers
• Thermal transport in semiconductor nanostructures, graphene and related two-dimensional materials
• Variable thermal transport in black, blue, and violet phosphorene from extensive atomistic simulations with a neuroevolution potential
• Thermal transport of amorphous carbon and boron-nitride monolayers
• A unified theory of second sound in two dimensional materials
• Reduction of interfacial thermal resistance of overlapped graphene by bonding carbon chains
• Understanding Divergent Thermal Conductivity in Single Polythiophene Chains using Modal Analysis and Sonification
• Heat current fluctuations and anomalous transport in low dimensional carbon lattices
• Irida-Graphene Phonon Thermal Transport via Non-equilibrium Molecular Dynamics Simulations
• Vibrational and dielectric properties of monolayer transition metal dichalcogenides
• Modulating heat conduction by stretching or compressing
• Revisit Many-body Interaction Heat Current and Thermal Conductivity Calculation in Moment Tensor Potential/LAMMPS Interface
• Exploration of mechanical, thermal conductivity and electromechanical properties of graphene nanoribbon springs
• Nontrivial impact of interlayer coupling on thermal conductivity: opposing trends in in-plane and out-of-plane phonons
• Lattice Thermal Conductivity of Sun-Graphyne from Reverse Nonequilibrium Molecular Dynamics Simulations
• Anomalous diffusion and Noether's second theorem
• Thermal conductance of suspended nanoribbons: interplay between strain and interatomic potential nonlinearity
• Length and torsion dependence of thermal conductivity in twisted graphene nanoribbons
• Tuning Thermal Conductivity and Electron-Phonon Interactions in Carbon and Boron Nitride Moiré Diamanes via Twist Angle Manipulation