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Molecular Statics of a Ni/Zr Heterophase Interface

Published online by Cambridge University Press:  21 February 2011

M. G. Fernandes ,
V. Pontikis  and
P.D. Bristowe
M. G. Fernandes
Affiliation:
Laboratoire des Solides Irradids, CEA-CEREM, URA CNRS # 1380, Ecole Polytechnique 91128 Palaiseau Cedex, France Massachusetts Institute of Technology, Department of Materials Science and Engineering, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
V. Pontikis
Affiliation:
Laboratoire des Solides Irradids, CEA-CEREM, URA CNRS # 1380, Ecole Polytechnique 91128 Palaiseau Cedex, France
P.D. Bristowe
Affiliation:
Massachusetts Institute of Technology, Department of Materials Science and Engineering, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
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Abstract

An atomistic model for a Ni/Zr hetero-interface formed between closed packed atomic planes is constructed and simulated using energy minimization techniques. The results show how misfit dislocations are introduced in the system and form an hexagonal array, and that the strain field in Ni can reach values two times larger than those in Zr. Calculated values for antisite defect energies are positive and are a strong function of position at the interface, reflecting the role of the dislocation network.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 319: Symposia CB – Defect-Interface Interactions , 1993 , 39
Copyright
Copyright © Materials Research Society 1994

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