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Please use this identifier to cite or link to this item: http://dspace.lib.cranfield.ac.uk/handle/1826/7532

Document Type: Article
Title: Generating structural distributions of atomistic models of Li2O nanoparticles using simulated crystallisation
Authors: Sayle, T. X. T.
Ngoepe, P. E.
Sayle, D. C.
Issue Date: 2010
Abstract: Simulated crystallisation has been used to predict that Li2O nanoparticles comprise octahedral morphologies bounded by {111} and truncated by {100} with inverse fluorite crystal structure. We observe that by changing the temperature of the (simulated) crystallisation, changes in the microstructure can be realised, such a strategy facilitates the generation of full atomistic models with microstructural distributions similar to the structural diversity observed synthetically.
URI: http://dx.doi.org/10.1039/c0jm01580f
http://dspace.lib.cranfield.ac.uk/handle/1826/7532
Appears in Collections:Staff publications - Cranfield Defence and Security, Shrivenham

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