Related papers: Molecular dynamics simulation of the self-retracti…
Diffusion and drift of a graphene flake on a graphite surface are analyzed. A potential energy relief of the graphene flake is computed using ab initio and empirical calculations. Based on the analysis of this relief, different mechanisms…
Nano-indentation of circular graphene flakes are studied by using Molecular Dynamics simulation. We show that the theory of continuum elasticity based on nonlinear F\"{o}pple-Hencky equations is applicable on a circular suspended graphene…
Solids at incommensurate contact display low-friction, 'superlubric', sliding. For graphene flakes on a graphite surface, superlubric sliding is only temporary due to rotation of the flakes from incommensurate to commensurate contact with…
Experiments [1] have shown that auto-kirigami structures can grow on the surface of graphene because the graphene-graphene adhesion energy is greater than the graphene-substrate interaction. In this work molecular dynamics (MD) simulations…
Diffusion of a graphene flake on a graphene layer is analyzed and a new diffusion mechanism is proposed for the system under consideration. According to this mechanism, rotational transition of the flake from commensurate to incommensurate…
We report the observation of a novel phenomenon, the self-retracting motion of graphite, in which tiny flakes of graphite, after being displaced to various suspended positions from islands of highly orientated pyrolytic graphite, retract…
Using a tight-binding atomistic simulation, we simulate the recent atomic-force microscopy experiments probing the slipperiness of graphene flakes made slide against a graphite surface. Compared to previous theoretical models, where the…
A sheared microscopic graphite mesa retracts spontaneously to minimize interfacial energy. Using an optical knife-edge technique, we report comparative measurements of the speeds of such self-retracting motion (SRM) in air and low vacuum…
Graphene-water interaction has been under scrutiny ever since graphene discovery and realization of its exceptional properties. Several computational and experimental reports exist that have tried to look into the interactions involved,…
A method of regulating spin dynamics of the so-called magnetic graphene is analyzed. Magnetic moments can be incorporated into graphene flakes and graphene ribbons through defects, such as adatoms and vacancies. Local spins can also be…
The effect of graphene flakes on the strength of Ni-graphene composites is investigated using molecular dynamics simulation. Rather than introducing flakes as flat structures into the Ni matrix, as it is common in available studies, we…
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…
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…
It is shown using the method of molecular dynamics that the motion of carbon nanoparticles (rectangular graphene flakes, spherical fullerenes of size $L<10$ nm) on the surface of a thermalized graphene sheet lying on a flat substrate can be…
We calculate the friction of fully mobile graphene flakes sliding on graphite. For incommensurately stacked flakes, we find a sudden and reversible increase in friction with load, in agreement with experimental observations. The transition…
We examine the fracture mechanics of tearing graphene. We present a molecular dynamics simulation of the propagation of cracks in clamped, free-standing graphene as a function of the out-of-plane force. The geometry is motivated by…
A recent experimental study showed that an induced folded flap of graphene can spontaneously drive itself its tearing and peeling off a substrate, thus producing long, micrometer sized, regular trapezoidal-shaped folded graphene…
We report a study of the rotational dynamics in double-walled nanotubes using molecular dynamics simulations and a simple analytical model reproducing very well the observations. We show that the dynamic friction is linear in the angular…
Through experimental study, we reveal superlubricity as the mechanism of self-retracting motion of micrometer sized graphite flakes on graphite platforms by correlating respectively the lock-up or self-retraction states with the…
Two experimental studies reported the spontaneous formation of amorphous and crystalline structures of C60 intercalated between graphene and a substrate. They observed interesting phenomena ranging from reaction between C60 molecules under…