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.
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This research is supported by the United States Department of Energy, Office of Science, Office of Basic Energy Sciences. The authors acknowledge discussion with Prof. John P. Hirth.
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Wang, J., Hoagland, R.G. & Misra, A. Phase transition and dislocation nucleation in Cu–Nb layered composites during physical vapor deposition. Journal of Materials Research 23, 1009–1014 (2008). https://doi.org/10.1557/jmr.2008.0120
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DOI: https://doi.org/10.1557/jmr.2008.0120