Rippling of two-dimensional materials by line defects
arXiv:2008.08293 · doi:10.1103/PhysRevB.102.075433
Abstract
Two-dimensional materials and their mechanical properties are known to be profoundly affected by rippling deformations. However, although ripples are fairly well understood, less is known about their origin and controlled modification. Here, motivated by recent reports of laser-controlled creation of line defects in graphene, we investigate how line defects could be used to control rippling in graphene and other two-dimensional materials. By sequential multi-scale coupling of density-functional tight-binding and continuum elasticity simulations, we quantify the amount of rippling when the number and the cumulative length of the line defects increase. Simulations show that elastic sheets with networks of line defects create rippling that induces considerable out-of-plane rigidification and in-plane softening with non-linear elastic behavior. We hope that these insights help to guide experimental attempts to modify the mechanical properties of graphene and other two-dimensional materials.
arXiv comment8 pages, 4 figures
References in corpus (32)
- SciPy 1.0--Fundamental Algorithms for Scientific Computing in Python
- The electronic properties of graphene
- Thermal Properties of Graphene, Carbon Nanotubes and Nanostructured Carbon Materials
- The structure of suspended graphene sheets
- Electronic transport in two dimensional graphene
- Ripple Texturing of Suspended Graphene Atomic Membranes
- Self-passivating edge reconstructions of graphene
- Electron scattering on microscopic corrugations in graphene
- Density-functional tight-binding for beginners
- Cones, pringles, and grain boundary landscapes in graphene topology
- Evidence for Graphene Edges Beyond Zigzag and Armchair
- Graphene as an electronic membrane
- The Effect of Intrinsic Crumpling on the Mechanics of Free-Standing Graphene
- Breakdown of continuum mechanics for nanometer-wavelength rippling of graphene
- Determination of the Bending Rigidity of Graphene via Electrostatic Actuation of Buckled Membranes
- Graphene nano ribbons subjected to axial stress
- Approximate Modeling of Spherical Membrane
- Response of thermalized ribbons to pulling and bending
- Twisting Graphene Nanoribbons into Carbon Nanotubes
- Hidden area and mechanical nonlinearities in freestanding graphene
- Rippling of Graphene
- Mechanical Properties of Warped Membranes
- Electromechanics of Twisted Graphene Nanoribbons
- Entropic Effects of Thermal Rippling on van der Waals Interactions between Monolayer Graphene and a Rigid Substrate
- Efficient approach for simulating distorted materials
- Structural, chemical and dynamical trends in graphene grain boundaries
- Graphene nanoribbons subject to gentle bends
- Revised Periodic Boundary Conditions: Fundamentals, Electrostatics, and the Tight-Binding Approximation
- Electronic and optical trends in carbon nanotubes under pure bending
- Graphene Cardboard: from Ripples to Tunable Metamaterial
- Optically Forged Diffraction-Unlimited Ripples in Graphene
- Quantum Simulations of One-Dimensional Nanostructures under Arbitrary Deformations