Molecular Dynamics simulations of track formation at different ensembles
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Data
2013-01-01
Autores
Moreira, Pedro A.F.P.
Guedes, Sandro
Tello Saenz, Carlos [UNESP]
Hadler, Julio C.
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Resumo
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.
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Annealing, Fission track, Molecular Dynamics, Thermal spike, Zircon, Langevin, Lattice recovery, Molecular dynamics simulations, Side walls, Thermal spikes, Threshold energy, Total energy, Track formation, Computer simulation, Fission reactions, Molecular dynamics
Como citar
Radiation Measurements, v. 48, n. 1, p. 68-72, 2013.