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Phase transition and dislocation nucleation in Cu–Nb layered composites during physical vapor deposition

Published online by Cambridge University Press:  31 January 2011

Jian Wang ,
Richard G. Hoagland  and
Amit Misra
Jian Wang*
Affiliation:
Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
Richard G. Hoagland
Affiliation:
Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
Amit Misra
Affiliation:
Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
*
a)Address all correspondence to this author. e-mail: wangj6@lanl.gov
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Abstract

Using classical molecular dynamics simulations, we have investigated the growth of {111} Cu on Nb {110} surface. Our results reveal that the deposited Cu layer initially grows as body-centered cubic (bcc) and Vernier misfits are observed in the interface of bcc Cu and bcc Nb. As it continues to grow, the bcc Cu {110} transforms into face-centered cubic (fcc) Cu {111}. The phase transition starts after the bcc Cu layer has accumulated about 3 monolayers and is finished depending on deposition parameters. Nuclei of fcc Cu {111} form in the top surface of Cu and grow in plane and toward the interface. Partial dislocations in the fcc Cu layer nucleate during the late stage of the transition, and the stacking faults grow as the Cu layer thickens.

Keywords

Phase transformationDislocationsSimulation
Type
Articles
Information
Journal of Materials Research , Volume 23 , Issue 4 , April 2008 , pp. 1009 - 1014
Copyright
Copyright © Materials Research Society 2008

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References

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