کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7899799 1510349 2018 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Heterogeneous dynamics in nanoporous materials examined by molecular dynamics simulations -effects of modification of caged ion dynamics-
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
Heterogeneous dynamics in nanoporous materials examined by molecular dynamics simulations -effects of modification of caged ion dynamics-
چکیده انگلیسی
Molecular dynamics (MD) simulations of nano-porous lithium disilicate (Li2Si2O5) systems have been performed in previous work [Junko Habasaki, J. Chem. Phys., 145, 204503 (2016)], where importance of caged ion dynamics in porous materials was shown. The shape of the self-part of the Van Hove function and the non-Gaussian parameter clearly show a heterogeneous and non-Gaussian character of the dynamics in the porous system. In the present work, changes of characteristic times of the mean squared displacement are examined and from which the effects on the complicated dynamics of ions by introducing pores are shown.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Non-Crystalline Solids - Volume 498, 15 October 2018, Pages 364-371
نویسندگان
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