کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
798154 | 1467110 | 2011 | 16 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A homogenization analysis of the field theoretic approach to the quasi-continuum method
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مهندسی مکانیک
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
Using the orbital-free density functional theory as a model theory, we present an analysis of the field theoretic approach to quasi-continuum method. In particular, by perturbation method and multiple scale analysis, we provide a formal justification for the validity of numerical coarse-graining of various fields in the quasi-continuum reduction of field theories by taking the homogenization limit. Further, we derive the homogenized equations that govern the behavior of electronic fields in regions of smooth deformations. Using Fourier analysis, we determine the far-field solutions for these fields in the presence of local defects, and subsequently estimate cell-size effects in computed defect energies.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of the Mechanics and Physics of Solids - Volume 59, Issue 8, August 2011, Pages 1536–1551
Journal: Journal of the Mechanics and Physics of Solids - Volume 59, Issue 8, August 2011, Pages 1536–1551
نویسندگان
Vikram Gavini, Liping Liu,