کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10655786 1005243 2005 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Embedded atom method study of the interaction between point defects in iron aluminides: Triple defects
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
Embedded atom method study of the interaction between point defects in iron aluminides: Triple defects
چکیده انگلیسی
In the present work (part 2 of 2), a follow-up of the investigation of the interaction between point defects (both vacancies and antisite atoms) in Fe-Al compounds with A2 (Fe) and B2 (FeAl) structures is performed using Embedded Atom Method (EAM) molecular statics atomistic simulations. This method is particularly useful in obtaining the self-energies of crystal defects characterized by strong local relaxation strains, which generate long-range elastic fields. The methodology developed in the first part of this paper is applied here to the case of triple defect clusters, which are essential to understand diffusion in iron aluminides, with emphasis to B2 alloys. Particular care was taken to assure that all simulations for a given compound refer to the same ensemble.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Intermetallics - Volume 13, Issue 11, November 2005, Pages 1245-1254
نویسندگان
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