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Molecular dynamics simulation of displacement cascades in Cu and Ni: Thermal spike behavior

Published online by Cambridge University Press:  31 January 2011

T. Diaz de la Rubia ,
R. S. Averback ,
Horngming Hsieh  and
R. Benedek
T. Diaz de la Rubia*
Affiliation:
Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801
R. S. Averback
Affiliation:
Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801
Horngming Hsieh
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439
R. Benedek
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439
*
a) Also with the Department of Physics, SUNY-Albany, Albany, New York 12222. Current address: Lawrence Livermore National Laboratory, Livermore, California 94550
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Abstract

Molecular dynamics simulations of energetic displacement cascades in Cu and Ni were performed with primary-knock-on-atom (PKA) energies up to 5 keV. The interatomic forces were represented by the Gibson II (Cu) and the Johnson-Erginsoy (Ni) potentials. Our results indicate that the primary state of damage produced by displacement cascades is controlled basically by two phenomena: replacement collision sequences during the ballistic phase, and melting and resolidification during the thermal spike. The thermal-spike phase is of longer duration and has a more marked effect in Cu than in Ni. Results for atomic mixing, defect production, and defect clustering are presented and compared with experiment. Simulations of “heat spikes” in these metals suggest a model for “cascade collapse” based on the regrowth kinetics of the molten cascade core.

Type
Articles
Information
Journal of Materials Research , Volume 4 , Issue 3 , June 1989 , pp. 579 - 586
Copyright
Copyright © Materials Research Society 1989

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