Artículos de revistas
Molecular Dynamics simulations of track formation at different ensembles
Radiation Measurements, v. 48, n. 1, p. 68-72, 2013.
Universidade Estadual de Campinas (UNICAMP)
Universidade Estadual Paulista (UNESP)
A series of Molecular Dynamics simulations of thermal spikes has been run in zircon. For two different ensembles: microcanonical one and a combination of microcanonical one acting on the simulation core with Langevin one on the side walls of simulation. Depending on the used ensemble, different track-formation threshold energies were found. When the combined ensemble is carried out, the total energy of the simulations varies with the temperature which can influence how annealing fission-track models should deal with the lattice recovery. A fission-track annealing model is tested with the simulation results. © 2012 Elsevier Ltd. All rights reserved.