Nanopolycrystalline materials; a general atomistic model for simulation
نویسندگان
چکیده
منابع مشابه
Nanopolycrystalline materials; a general atomistic model for simulation.
We present a general strategy for generating full atomistic models of nanopolycrystalline materials including bulk and thin film. In particular, models for oxide nanoparticles were constructed using simulated amorphisation and crystallisation and used to populate a library of oxide nanoparticles (amorphous and crystalline) with different radii. Nanoparticles were then taken from this library an...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2010
ISSN: 1463-9076,1463-9084
DOI: 10.1039/b918990d