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Disordering in the Ni-Al system under low dose ion-irradiation: a computer simulation study

Published online by Cambridge University Press:  10 February 2011

A. Almazouzi,
M. Alurralde,
M. Spaczer and
M. Victoria
A. Almazouzi
Affiliation:
EPF Lausanne-CRPP Fusion Technology, CH-5232 Villigen-PSI, Switzerland
M. Alurralde
Affiliation:
Comision Nacional de Energia Atomica, Buenos Aires, Argentina.
M. Spaczer
Affiliation:
Paul Scherrer Institute, CH-5232 Villigen-PSI, Switzerland.
M. Victoria
Affiliation:
EPF Lausanne-CRPP Fusion Technology, CH-5232 Villigen-PSI, Switzerland
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Abstract

Starting from the radiation damage cascades, as obtained using the binary collision approximation, we derive the spatial distribution of the energy deposited into the lattice by the primary knock-on atom (PKA). We follow the time evolution of the cascade core in two ordered intermetallics Ni3Al and NiAl, using the molecular dynamics (MD) method with the embedded potential and with the liquid droplet model (LDM) in which a simplified version of the heat equation is solved. Moreover, the MD was used to determine the evolution of the local structure and to identify the disordered zones. The LDM allows us, after a calibration with MD results, to estimate the dependence of the molten volume on the PKA energy up to 1 MeV. The results show good agreement with other published simulations and the available transmission electron microscopy (TEM) observation experiments.

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References

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