Simulation of displacement cascades in Ni-Al ordered alloys

Molecular dynamics was used to investigate defect production induced by displacement cascades in ordered intermetallic alloys NiAl and Ni 3 Al. The composite potentials obtained from the embedded atom potentials (EAM) and the universal function of Biersack and Ziegler were used. The number of point...

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Bibliographic Details
Published in:Radiation effects and defects in solids 1997-06, Vol.141 (1-4), p.363-373
Main Authors: Doan, N. V., Vascon, R.
Format: Article
Language:English
Subjects:
Computer simulation
Displacement cascade
Mixing
Molecular dynamics
Ordered intermetallic alloys
Point defect production
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Summary:Molecular dynamics was used to investigate defect production induced by displacement cascades in ordered intermetallic alloys NiAl and Ni 3 Al. The composite potentials obtained from the embedded atom potentials (EAM) and the universal function of Biersack and Ziegler were used. The number of point defects and their final structure produced by displacement cascades were investigated and compared with the standard NRT prediction. Crystalline structure, atomic mixing and chemical disordering were also studied during the evolution of the cascades, by measuring their characteristic parameters in the cells of the subdivided crystal.
ISSN:1042-0150
1029-4953
DOI:10.1080/10420159708211582