کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
752775 | 895462 | 2011 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Self-adaptive molecule/cluster statistical thermodynamics method for quasi-static deformation at finite temperature
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موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مهندسی مکانیک
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Hybrid molecule/cluster statistical thermodynamics (HMCST) method is an efficient tool to simulate nano-scale systems under quasi-static loading at finite temperature. In this paper, a self-adaptive algorithm is developed for this method. Explicit refinement criterion based on the gradient of slip shear deformation and a switching criterion based on generalized Einstein approximation is proposed respectively. Results show that this self-adaptive method can accurately find clusters to be refined or transferred to molecules, and efficiently refine or transfer the clusters. Furthermore, compared with fully atomistic simulation, the high computational efficiency of the self-adaptive method appears very attractive.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Acta Mechanica Solida Sinica - Volume 24, Issue 1, February 2011, Pages 92-100
Journal: Acta Mechanica Solida Sinica - Volume 24, Issue 1, February 2011, Pages 92-100