Title
Molecular Dynamics simulations of track formation at different ensembles
Date Issued
01 January 2013
Access level
metadata only access
Resource Type
journal article
Author(s)
Universidad Estadual Paulista
Abstract
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.
Start page
68
End page
72
Volume
48
Issue
1
Language
English
OCDE Knowledge area
Física atómica, molecular y química
Química física
Subjects
Scopus EID
2-s2.0-84872498868
Source
Radiation Measurements
ISSN of the container
13504487
Sponsor(s)
The authors thank CNPq (Conselho Nacional de Desenvolvimento Cientifico e Tecnologico) and FAPESP (Fundação de Amparo a Ciência do Estado de São Paulo), Brazil. The computations were performed using resources of the EMSL, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research located at Pacific Northwest National Laboratory.
Sources of information:
Directorio de Producción Científica
Scopus