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Compositional patterning in coherent and dislocated alloy nanocrystals
Variations in the distribution of the alloy components can significantly influence the electronic properties
of self-organized alloy nanocrystals. Using a combination of finite element and quadratic programming
optimization methods, we have developed an efficient numerical technique to compute the equilibrium
composition profiles in coherent and dislocated nanocrystals. We show that the variations in composition
profiles arise due to the competition between chemical mixing effects and the relaxation of composition-
依赖失配应变以及应变由于dislocations. We find that the composition profiles
in these crystals depend strongly on morphological features such as the slopes and curvatures of their
surfaces and the presence of corners, edges and dislocations at the nanocrystal–substrate interface.
This approach provides the means for a quantitative description of the factors controlling equilibrium
composition profiles in various coherent and dislocated self-organized alloy systems.
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嗨
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