Artículos de revistas
Molecular Dynamics simulations of track formation at different ensembles
Registro en:
Radiation Measurements. Pergamon-elsevier Science Ltd, v. 48, n. 68, n. 72, 2013.
1350-4487
WOS:000315473200011
10.1016/j.radmeas.2012.10.011
Autor
Moreira, PAFP
Guedes, S
Saenz, CT
Hadler, JC
Institución
Resumen
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. (C) 2012 Elsevier Ltd. All rights reserved. 48 68 72 DOE's Office of Biological and Environmental Research at Pacific Northwest National Laboratory