The molecular dynamics (MD) computer simulation technique has been used to study the structure and compositional heterogeneity of the interfaces formed between amorphous solids and crystals. Such systems include the interfaces in solid state thin film oxide batteries and electrochromic (EC) devices as well as the ubiquitous thin intergranular films in ceramics that can strongly influence material behavior. Thin (~one to a few nanometers thick) intergranular films are known to be present in most polycrystalline oxide materials, but their role in the polycrystalline cathodes of battery and EC devices has not been well studied.
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