کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10631271 991635 2005 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Sensitivity of structural results to initial configurations and quench algorithms of lead silicate glass
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
Sensitivity of structural results to initial configurations and quench algorithms of lead silicate glass
چکیده انگلیسی
The sensitivity of resulting structures to starting configurations and quench algorithms were characterized using molecular dynamics (MD) simulations. The classical potential model introduced by Damodaran, Rao, and Rao (DRR) Phys. Chem. Glasses 31 (1990) 212 for lead silicate glass was used. Glasses were prepared using five distinct initial configurations and four glass forming algorithms. In previous MD work of bulk lead silicate glasses the ability of this potential model to provide good structural results were established by comparing to experimental results. Here the sensitivity of the results to the simulation methodology and the persistence of clustering with attention to details of molecular structure are determined.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Non-Crystalline Solids - Volume 351, Issue 18, 15 June 2005, Pages 1522-1531
نویسندگان
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