Related papers: Elastic Bending Modulus of Monolayer Graphene
An ordinary state-based peridynamic material model is proposed for single sheet graphene. The model is calibrated using coarse grained molecular dynamics simulations. The coarse graining method allows the dependence of bond force on bond…
Phosphorene, a monolayer of black phosphorus (BP), is an elemental two-dimensional material with interesting physical properties, such as high charge carrier mobility and exotic anisotropic in-plane properties. To fundamentally understand…
Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons upon the presence of stress applying Density Functional Theory within the GGA-PBE approximation. The uniaxial stress is applied along…
Graphene-based nanofolds (GNFs) are edge-connected 2D stacked monolayers originated from single-layer graphene. Graphene-based nanoscrolls (GNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral…
Mechanical cantilevers are central to nanotechnology, with ultimate sensitivity achieved at the atomic limit, where low bending rigidity makes stability the fundamental challenge. Here, we introduce a wrinkle-induced stiffening approach…
We consider a discrete model of a graphene sheet with atomic interactions governed by a harmonic approximation of the 2nd-generation Brenner potential that depends on bond lengths, bond angles, and two types of dihedral angles. A continuum…
We address a simple but fundamental issue arising in the study of graphene, as well as of other systems that have a crystalline structure with more than one atom per unit cell. For these systems, the choice of the tight-binding basis is not…
We study the electronic structure and topological properties of monolayer and ABC-stacked multilayer of graphyne-$N$, which are a family of planar carbon sheets consisting of $sp$ and $sp_2$-bonding. By using the density-functional theory…
In spite of years of intense research, graphene continues to produce surprising results. Recently, it was experimentally observed that under certain conditions graphene can self-drive its tearing and peeling from substrates. This process…
Sphere-patterned ultrathin block copolymers films are potentially interesting for a variety of applications in nanotechnology. We use self-consistent field theory to investigate the elastic response of sphere monolayer films with respect to…
Central to most applications involving monolayer graphene is its mechanical response under various stress states. To date most of the work reported is of theoretical nature and refers to tension and compression loading of model graphene.…
In this paper, we develop an analytical approach to predict the field-induced alignment of cantilevered graphene nanoribbons. This approach is validated through molecular simulations using a constitutive atomic electrostatic model. Our…
The unique atomic monolayer structure of graphene gives rise to a broad range of remarkable mechanical folding properties. However, significant challenges remain in effectively harnessing them in a controllable and scalable manner. In this…
Graphene is a recently discovered carbon based material with unique physical properties. This is a monolayer of graphite, and the two-dimensional electrons and holes in it are described by the effective Dirac equation with a vanishing…
We formulate a nonlinear continuum model of a graphene sheet supported by a flat rigid substrate. The sheet is parallel to the substrate and loaded on a pair of opposite edges. A typical cross-section of the sheet is modeled as an elastica.…
Folding can transform mundane objects such as napkins into stunning works of art. However, finding new folding transformations for sheet materials is a challenging problem that requires expertise and real-world experimentation. In this…
Energetically the single sheet of graphite (graphene) is more stable than the nanotube. The energy difference between the two systems can be directly related to the strain energy involved in rolling up the graphene sheet to form the…
Continuum modeling of a free-standing graphene monolayer, viewed as a two dimensional 2-lattice, requires specifications of the components of the shift vector that act as an auxiliary variable. The field equations are then the equations…
The electronic properties of graphene are influenced by both geometric confinement and strain. We study the electronic structure of in-plane bent graphene nanoribbons, systems where confinement and strain are combined. To understand its…
Strain engineering has been recently recognized as an effective way to tailor the electrical properties of graphene. In the optical domain, effects such as strain-induced anisotropic absorption add an appealing functionality to graphene,…