Related papers: A comparative study of two molecular mechanics mod…
We investigate the statistical mechanics of long developable ribbons of finite width and very small thickness. The constraint of isometric deformations in these ribbon-like structures that follows from the geometric separation of scales…
We present a theoretical analysis of interface states emerging at junctions between armchair graphene nanoribbons of varying widths. By exploring diverse width combinations and junction geometries, we demonstrate that predicting the precise…
We use continuum elasticity theory to revise scaling laws for radial breathing-like and shear-like vibration modes in quasi-2D nanostructures including finite-width nanoribbons and finite-size thin circular discs. Such modes can be observed…
The micro/nano-structural evolution before and after tensile/compressive loading, fatigue and ultimately, failure has been studied by Raman (and IR) microspectroscopy for PBO, PET, PA66, PP, silk and hair using three probes: low wavenumber…
An atomistic to continuum model for a graphene sheet undergoing bending is presented. Under the assumption that the atomic interactions are governed by a harmonic approximation of the 2nd-generation Brenner REBO (reactive empirical…
We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based…
{\gamma}-graphdiyne is a 2D carbon structure beyond graphene: it is formed by sp and sp2 carbon atoms organized as hexagonal rings connected by linear links, and it is predicted to be a semiconductor. The lateral confinement of…
Deterministic band gap in quasi-one-dimensional nanoribbons is prerequisite for their integrated functionalities in high-performance molecular-electronics based devices. However, multiple band gap values commonly observed in the same width…
We report the results of classical molecular dynamics simulations focused on studying the mechanical properties of MoS$_{2}$ kirigami. Several different kirigami structures were studied based upon two simple non-dimensional parameters,…
We have investigated electronic transport in graphene nanoribbon devices with additional bar-shaped extensions ("wings") at each side of the device. We find that the Coulomb-blockade dominated transport found in conventional ribbons is…
We present a numerical study of the asymmetric dumbbell model consisting of ``molecules'' constructed as two different-sized Lennard-Jones spheres connected by a rigid bond. In terms of the largest (A) particle radius, we report data for…
We develop a magnetic ribbon model for molecular cloud filaments. These result from turbulent compression in a molecular cloud in which the background magnetic field sets a preferred direction. We argue that this is a natural model for…
Heterostructures composed of dissimilar two-dimensional nanomaterials can have nontrivial physical and mechanical properties promising for many applications. Interestingly, in some cases, it is possible to create heterostructures composed…
Phase change memory (PCM) devices are known to reduce in power consumption as the bit volume and contact area of their electrodes are scaled down. Here, we demonstrate two types of low-power PCM devices with lateral graphene ribbon…
Recent experiments indicate room-temperature ferromagnetism in graphite-like materials. This paper offers multiple spin state analysis applied to asymmetric graphene molecule to find out mechanism of ferromagnetic nature. First principle…
We study analytically, based on the tight-binding model, the electronic band structure of armchair AA-stacked bilayer graphene nanoribbons (BLGNRs) in several regimes. We apply hard-wall boundary conditions to determine the discretion…
Quantum thermal transport in armchair and zig-zag graphene nanoribbons are investigated in the presence of single atomic vacancies and subject to different boundary conditions. We start with a full comparison of the phonon polarizations and…
Quantum confinement and interference often generate exotic properties in nanostructures. One recent highlight is the experimental indication of a magnetic phase transition in zigzag-edged graphene nanoribbons at the critical ribbon width of…
Using the non-equilibrium Green's functions formalism in a tight binding model, the spin-dependent transport in armchair graphene nanoribbon (GNR) structures controlled by a ferromagnetic gate is investigated. Beyond the oscillatory…
The spurious states found in numerical implementations of envelope function models for semiconductor heterostructures and nanostructures have been shown to be readily removed by employing a first-order difference scheme. This approach is…