483 citations · 548 across the 4 of their papers we have counts for
6 papers
Finite temperature lattice properties of graphene beyond the quasiharmonic approximation
K. V. Zakharchenko, M. I. Katsnelson, A. Fasolino
The thermal and mechanical stability of graphene is important for many potential applications in nanotechnology. We calculate the temperature dependence of lattice parameter, elast…
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…
Slow dynamics in a model of the cellulose network
O. V. Manyuhina, A. Fasolino, M. I. Katsnelson
We present numerical simulations of a model of cellulose consisting of long stiff rods, representing cellulose microfibrils, connected by stretchable crosslinks, representing xylog…
Power law load dependence of atomic friction
C. Fusco, A. Fasolino
We present a theoretical study of the dynamics of a tip scanning a graphite surface as a function of the applied load. From the analysis of the lateral forces, we extract the frict…
Nonlinear dynamics and surface diffusion of diatomic molecules
C. Fusco, A. Fasolino
The motion of molecules on solid surfaces is of interest for technological applications, but it is also a theoretical challenge. We study the deterministic and thermal diffusive dy…
Microscopic mechanisms of thermal and driven diffusion of non rigid molecules on surfaces
C. Fusco, A. Fasolino
The motion of molecules on solid surfaces is of interest for technological applications such as catalysis and lubrication, but it is also a theoretical challenge at a more fundamen…