Related papers: Young's modulus of Graphene: a molecular dynamics …
The plane wave scattering and absorption by finite and infinite gratings of free-space standing infinitely long graphene strips are studied in the THz range. A novel numerical approach, based on graphene surface impedance, hyper-singular…
We present an accurate interatomic potential for graphene, constructed using the Gaussian Approximation Potential (GAP) machine learning methodology. This GAP model obtains a faithful representation of a density functional theory (DFT)…
Graphene has been widely used in the form of micro-flakes to fabricate composite materials with enhanced mechanical properties. Due to the small size of the inclusions and their random orientation within the matrix, the superior mechanical…
The thermal conductivity (TC) of isolated graphene with different concentrations of isotopes (C13) is studied with equilibrium molecular dynamics method at 300K. In the limit of pure C12 or C13 graphene, TC of graphene in zigzag and…
Molecular dynamics simulation is used to study thermally activated migration of hydrogen atoms in graphone, a magnetic semiconductor formed of a graphene monolayer with one side covered with hydrogen so that hydrogen atoms are adsorbed on…
Thermal conduction in polymer nanocomposites depends on several parameters including the thermal conductivity and geometrical features of the nanoparticles, the particle loading, their degree of dispersion and formation of a percolating…
Thermal conductivity of graphene nanoribbons (GNR) with length 106~{\AA} and width 4.92~{\AA} after isotopic doping is investigated by molecular dynamics with quantum correction. Two interesting phenomena are found: (1) isotopic doping…
Nonequilibrium molecular dynamics simulations is used to study the motion of a C60 molecule on a graphene sheet subjected to a temperature gradient. The C60 molecule is actuated and moves along the system while it just randomly dances along…
Thermal conduction was explored and discussed through a combined theoretical and simulation approach in this work. The thermal conductivity k of polycrystalline graphene was calculated by molecular dynamics simulations based on a hexagonal…
We focused on elastic properties of B- and N-doped graphene in wide range of concentrations up to 20%. The Young's, bulk and shear moduli and Poisson's ratio have been calculated by means of the density functional theory for a…
The electronic and transport properties of graphene modulated by magnetic barrier arrays are derived for finite temperature. Prominent conductance gaps, originating from quantum interference effects are found in the periodic array case.…
Exploration of optical non-linear response of graphene predominantly relies on ultra-short time domain measurements. Here we propose an alternate technique that uses frequency modulated continuous wavefront optical fields, thereby probing…
High-harmonic spectroscopy has become an essential ingredient in probing various ultrafast electronic processes in solids with sub-cycle temporal resolution. Despite its immense importance, sensitivity of high-harmonic spectroscopy to…
We derive analytical expressions for the Young's modulus and the Poisson's ratio of the graphene nanoribbon, in which free edges are warped by the compressive edge stress. Our analytical formulas explicitly illustrate the reduction of the…
This work investigated the single pixel color modulation in a composite structure of yarn muscles graphene mechanical system and photonic crystal multimode microcavity. The position of graphene in the microcavity is modified by changing the…
By means of extensive equilibrium molecular dynamics simulations we have investigated, the behavior of the interfacial tension $\gamma$ of two immiscible symmetrical Lennard-Jones fluids. This quantity is studied as function of reduced…
Graphene is one of the stiffest known materials, with a Young's modulus of 1 TPa, making it an ideal candidate for use as a reinforcement in high-performance composites. However, being a one-atom thick crystalline material, graphene poses…
A major achievement of the past decade has been the realization of macroscopic quantum systems by exploiting interactions between optical cavities and mechanical resonators. In these systems, phonons are coherently annihilated or created in…
We report the scientific and technical queries regarding the article reported by Kim et al.1 on the mechanical properties of graphene-poly(methyl methacrylate) (PMMA) composites. Our analysis finds that the current experimental data is…
Large scale atomistic simulations using the reactive force field approach (ReaxFF) are implemented to investigate the thermomechanical properties of fluorinated graphene (FG). A new set of parameters for the reactive force field potential…