Molecular Dynamics simulations of track formation at different ensembles


Autoria(s): Moreira, Pedro A.F.P.; Guedes, Sandro; Tello Saenz, Carlos; Hadler, Julio C.
Contribuinte(s)

Universidade Estadual Paulista (UNESP)

Data(s)

27/05/2014

27/05/2014

01/01/2013

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.

Formato

68-72

Identificador

http://dx.doi.org/10.1016/j.radmeas.2012.10.011

Radiation Measurements, v. 48, n. 1, p. 68-72, 2013.

1350-4487

http://hdl.handle.net/11449/74193

10.1016/j.radmeas.2012.10.011

WOS:000315473200011

2-s2.0-84872498868

Idioma(s)

eng

Relação

Radiation Measurements

Direitos

closedAccess

Palavras-Chave #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
Tipo

info:eu-repo/semantics/article