Showing papers by "Fabrizio Cleri published in 2002"
ENEA1
TL;DR: In this article, the binding energy of atomic hydrogen to graphite lattice defects was evaluated and it was shown that carbon sites belonging to a Stone-Wales defect are preferred binding sites with respect to undefected sites.
59 citations
TL;DR: In this article, a mesoscopic simulation framework based on a variational formulation of the dissipated work rate is proposed to correlate the elementary, atomic-scale events into a microstructure evolution model of great richness and complexity.
12 citations
TL;DR: In this article, the authors studied two elementary microstructure evolution events taking place at a multiple-twin triple junction (TJ) in Si by means of molecular dynamics simulations with the Stillinger-Weber empirical potential.
Abstract: We studied two elementary microstructure evolution events taking place at a multiple-twin triple junction (TJ) in Si by means of molecular dynamics simulations with the Stillinger–Weber empirical potential. Starting from a relaxed configuration, we inserted a fourth grain in the TJ location and determined the critical radius and the instability mode by which the central grain disappears by progressively shrinking. In a second set of simulations, we introduced a microcrack in the grain boundary plane and made it advance towards the TJ under the effect of the external loading. A kind of brittle–ductile transition is observed when the fracture changes from intergranular to intragranular.
9 citations
TL;DR: In this article, the authors describe the evolution of a two-dimensional microstructure by tracking the motion of triple junctions, i.e., the vertices where three grain boundaries (GBs) meet.
Abstract: We present the recent extensions of our stochastic microstructure evolution model including multiphase domain evolution and dislocation plasticity. The model was implemented by means of numerical simulations based on the velocity Monte Carlo algorithm. It describes the evolution of a two-dimensional microstructure by tracking the motion of triple junctions, i.e., the vertices where three grain boundaries (GBs) meet. GBs can be modeled as straight, curved, or discretized segments; the misorientation dependence of both grain-boundary energies and mobilities can be included to represent different textures.
1 citations