1.7k citations · 2.7k across the 11 of their papers we have counts for
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Thermal rippling behavior of graphane
S. Costamagna, M. Neek-Amal, J. H. Los +1
Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height flu…
Melting of graphene: from two to one dimension
K. V. Zakharchenko, Annalisa Fasolino, J. H. Los +1
The high temperature behaviour of graphene is studied by atomistic simulations based on an accurate interatomic potential for carbon. We find that clustering of Stone-Wales defects…
Atomistic simulations of structural and thermodynamic properties of bilayer graphene
K. V. Zakharchenko, J. H. Los, M. I. Katsnelson +1
We study the structural and thermodynamic properties of bilayer graphene, a prototype two-layer membrane, by means of Monte Carlo simulations based on the empirical bond order pote…
Scaling Properties of Flexible Membranes from Atomistic Simulations: Application to Graphene
J. H. Los, M. I. Katsnelson, O. V. Yazyev +2
Structure and thermodynamics of crystalline membranes are characterized by the long wavelength behavior of the normal-normal correlation function G(q). We calculate G(q) by Monte C…
State-of-the-art models for the phase diagram of carbon and diamond nucleation
Luca M. Ghiringhelli, C. Valeriani, J. H. Los +3
We review recent developments in the modelling of the phase diagram and the kinetics of crystallization of carbon. In particular, we show that a particular class of bond-order pote…
Intrinsic ripples in graphene
A. Fasolino, J. H. Los, M. I. Katsnelson
The stability of two-dimensional (2D) layers and membranes is subject of a long standing theoretical debate. According to the so called Mermin-Wagner theorem, long wavelength fluct…