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Interface-dependent nucleation in nanostructured layered composites
7. A. Misra and R. G. Hoagland, Encyclopedia of Nanoscience and Nanotechnology, edited by Hari Singh Nalwa (American Scientific Publishers, 2010), Vol. 10.
11. A. F. Voter, Los Alamos Unclassified Technical Report No. LA-UR 93-3901, 1993.
14. F. C. Frank, Report of the Symposium on the Plastic Deformation of Crystalline Solids (Carnegie Institute of Technology, 1950).
15. B. A. Bilby, Report of the Conference on Defects in Crystalline Solids (Physical Society, London, 1955), p. 124.
See supplementary material at http://dx.doi.org/10.1063/1.4820424
for description of MD methods; estimation of the critical angle; for extended version of Eq. (5)
; methods and results (Table S1) of interface energy change after nucleation; supporting data for Fig. 3
; and the Thompson tetrahedron. [Supplementary Material]
26. J. P. Hirth and J. Lothe, Theory of Dislocations, 2nd ed. (Krieger Publishing Company, Malabar, 1992).
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Nanocomposite properties are to a large extent governed by interface-associated mechanisms. Via atomic-scale modeling of bi-phase interfaces, we reveal a strong correlation between interface structure and the nucleation of dislocations. We show that the number and types of dislocations that are emitted depend sensitively on a few key structural features of the interface. Based on these insights, a model is developed that connects nucleation propensity with interface structure. This finding implies that tuning interface structure is a conceivable approach for strengthening nanocomposites, one that is distinct from the common strategy of shrinking nanostructure dimensions.
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