Melting of graphene: from two to one dimension

Abstract

The high temperature behaviour of graphene is studied by atomistic simulations based on an accurate interatomic potential for carbon. We find that clustering of Stone-Wales defects and formation of octagons are the first steps in the process of melting which proceeds via the formation of carbon chains. The molten state forms a three-dimensional network of entangled chains rather than a simple liquid. The melting temperature estimated from the two-dimensional Lindemann criterion and from extrapolation of our simulation for different heating rates is about 4900 K.

12 pages, 6 figures

References in corpus (4)

• The electronic properties of graphene
• The structure of suspended graphene sheets
• Finite temperature lattice properties of graphene beyond the quasiharmonic approximation
• Scaling Properties of Flexible Membranes from Atomistic Simulations: Application to Graphene

Cited by in corpus (27)

• Melting temperature of graphene
• Non-equilibrium dynamics of photo-excited electrons in graphene: collinear scattering, Auger processes, and the impact of screening
• Graphene as a Prototype Crystalline Membrane
• Monte-Carlo study of the electron transport properties of monolayer graphene within the tight-binding model
• Dangling bonds and magnetism of grain boundaries in graphene
• Interplay between Raman shift and thermal expansion in graphene: temperature-dependent measurements and analysis of substrate corrections
• Bayesian Force Fields from Active Learning for Simulation of Inter-Dimensional Transformation of Stanene
• Rippling, buckling and melting of single- and multi-layer MoS${}_2$
• Quantum effects in graphene monolayers: Path-integral simulations
• Melting of graphene clusters
• Molecular reordering processes on ice (0001) surfaces from long timescale simulations
• An Existence Criterion for Low-Dimensional Materials
• Photocarrier thermalization bottleneck in graphene
• Point defect formation energies in graphene from diffusion quantum Monte Carlo and density functional theory
• Thermal stability of standalone silicene sheet
• Boundaries Determine the Formation Energies of Lattice Defects in Two-Dimensional Buckled Materials
• Controlled healing of graphene nanopores
• Molecular dynamics simulation of melting of finite and inifinite size graphene
• Thermodynamics of a Potts-like model for a reconstructed zigzag edge in graphene nanoribbons
• Snaking without subcriticality: grain boundaries as non-topological defects
• Graphene Sails with Phased Array Optical Drive - Towards More Practical Interstellar Probes
• Phonon-assisted carrier cooling in h-BN/graphene van der Waals heterostructures
• Melting of Partially Fluorinated Graphene: From Detachment of Fluorine Atoms to Large Defects and Random Coils
• Conserving controversies of melting line of graphite and graphene
• Graphene thermal break-down induced by anharmonic bending mode
• Hexatic Phase in Covalent Two-Dimensional Silver Iodide
• Electronic transport across realistic grain boundaries in graphene