Abstract
Energy change of an iron face-centered subnanocluster of cubic type, depending on the position of a carbon interstitial atom and substitutional atoms of nickel, were evaluated using the molecular mechanics method. Calculation of possible positions of impurity atoms shows that energy change of a cluster is discrete or nearly continuous at certain positions of the atoms. It is shown that there are certain positions of substitutional atoms which improve the drift of interstitial atoms to the surface.
The positions of nickel atoms which essentially decrease the potential barrier for the carbon atom were identified, and there is minimum energy loss on the way to the surface; the conditions for spontaneous growth of the cluster were implemented. The basic mechanism of the formation of the initial clusters and nanocrystals on the free surface was described, which changes the symmetry of the atomic group due to changes in the positions of impurity atoms, contributing to the further growth of crystals of the new phase and the formation of new cluster groups.
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Abbreviations
- fcc:
-
Face-centered cubic
- CIS:
-
Central (octahedral) interstitial site
- PB:
-
Potential barrier
- SIS:
-
Surface interstitial site
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Acknowledgments
I am grateful to Prof. V. E. Olshanetsky and Ms. N. V. Bondarenko for their advice and assistance. I thank my son D. A. Nedolya for his invaluable assistance in the preparation of this chapter.
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Nedolya, A.V. (2016). Conditions of Spontaneous Growth of Iron Subnanocluster: The Influence of Impurity Atoms. In: Fesenko, O., Yatsenko, L. (eds) Nanophysics, Nanophotonics, Surface Studies, and Applications. Springer Proceedings in Physics, vol 183. Springer, Cham. https://doi.org/10.1007/978-3-319-30737-4_20
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