کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5390857 1505167 2006 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structural optimization of silver clusters from Ag61 to Ag120 by dynamic lattice searching method
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Structural optimization of silver clusters from Ag61 to Ag120 by dynamic lattice searching method
چکیده انگلیسی
Structures of silver clusters from Ag61 to Ag120 were optimized with an unbiased global optimization algorithm named dynamic lattice searching (DLS). The interaction among silver atoms is modeled by the Gupta potential. New global minima of Ag79 and Ag80 were found. The results show that there are two magic number clusters Ag75 and Ag101 from Ag61 to Ag120. Most of the clusters in the studied sizes have decahedral motifs, however, there are 9 clusters with non-decahedral pattern between the two neighboring magic numbers. These results might help us understand the growth rules of medium sized silver clusters.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 422, Issues 4–6, 10 May 2006, Pages 358-362
نویسندگان
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