相关论文: Efficient structural relaxation of polycrystalline…
Apart from its unique and exciting electronic properties, many sensor based applications of graphene are purely based on its mechanical and structural properties. Here we report a numerical and analytical study of a void in amorphous (small…
Hydrogen adsorption by graphite is examined by classical molecular dynamics simulation using a modified Brenner REBO potential. Such interactions are typical in chemical sputtering experiments, and knowledge of the fundamental behavior of…
Nano-rippled graphene, a structurally modified graphene, presents a novel material with a large range of possible applications including sensors, electrodes, coatings, optoelectronics, spintronics and straintronics. In this work we have…
This article is a continuation of our previous studies of the frictional anisotropy of metal nanoparticles on the surface of a graphene substrate for other temperature conditions. The friction force acting on palladium nanoparticles on a…
Environmental disasters, such as the oil spill in Mexico gulf or, more recently, the Mauritius oil spill caused by a bulk carrier vessel, are some of the ecological issues that the modern society faces frequently. These accidents highlight…
Graphene is an intriguing material with properties that are distinct from those of other graphitic systems. The first samples of pristine graphene were obtained by peeling off and epitaxial growth. Recently, the chemical reduction of…
The properties of suspended graphene are currently attracting enormous interest, but the small size of available samples and the difficulties in making them severely restrict the number of experimental techniques that can be used to study…
Starting from an atomistic approach we have derived a hierarchy of successively more simplified continuum elasticity descriptions for modeling the mechanical properties of suspended graphene sheets. The descriptions are validated by…
Two-dimensional (2D) materials display nanoscale dynamic ripples that significantly impact their properties. Defects within the crystal lattice are the elementary building blocks to tailor the material's morphology. While some studies have…
We employ molecular dynamic simulations to study the reduction process of graphene-oxide (GO) in a chemically active environment enriched with hydrogen. We examine the concentration and pressure of hydrogen gas as a function of temperature…
The understanding of the structural and thermal properties of membranes, low-dimensional flexible systems in a space of higher dimension, is pursued in many fields from string theory to chemistry and biology. The case of a two-dimensional…
Graphene is a monolayer graphitic film in which electrons behave like two-dimensional Dirac fermions without mass. Its study has attracted a wide interest in the domain of condensed matter physics. In particular, it represents an ideal…
Liquid-phase exfoliation, the use of a sheared liquid to delaminate graphite into few-layer graphene, is a promising technique for the large-scale production of graphene. But the micro and nanoscale fluid-structure processes controlling the…
As a two-dimensional material, graphene can be naturally obtained via epitaxial growth on a suitable substrate. Growth condition optimization usually requires an atomistic level understanding of the growth mechanism. In this article, we…
Suspended graphene samples are observed to be gently rippled rather than being flat. In [M. Friedrich, U. Stefanelli. Graphene ground states, arXiv:1802.05049], we have checked that this nonplanarity can be rigorously described within the…
Ramp compression experiment are used to deduce the relation between compression and normal stress in a material, by measuring how a compression wave evolves as it propagates through different thicknesses of the sample material. The…
We present the first large-scale molecular dynamics simulations of hexane on graphite that completely reproduces all experimental features of the melting transition. The canonical ensemble simulations required and used the most realistic…
We demonstrate that the plasmonic properties of realistic graphene and graphene-based materials can effectively and accurately be modeled by a novel, fully atomistic, yet classical, approach, named $\omega$FQ. Such model is able to…
Using different segmental dynamics and relaxation, characteristics of the interface growth is examined in an electrophoretic deposition of polymer chains on a three (2+1) dimensional discrete lattice with a Monte Carlo simulation.…
The two-dimensionality of graphene and other layered materials can be exploited to simplify the theoretical description of their plasmonic and polaritonic modes. We present an analytical theory that allows us to simulate these excitations…