Sayle, Thi X. T.Ngoepe, Phuti E.Sayle, Dean C.2012-08-302012-08-302010-12-31SayleTXT, Ngoepe PE, Sayle DC. (2010) Generating structural distributions of atomistic models of Li2O nanoparticles using simulated crystallisation. Journal of Materials Chemistry, Volume 20, Issue 46, December 2010, pp. 10452-104580959-9428https://doi.org/10.1039/C0JM01580Fhttp://dspace.lib.cranfield.ac.uk/handle/1826/7532Simulated 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.pp. 10452-10458Article2046