کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1563941 | 999626 | 2008 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
On a global minimum of potential energy in molecular statics: An example of a 2D Lennard-Jones crystal
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موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The effect of convergence with a prescribed accuracy to a local minimum on structural properties of the crystal, such as stress–strain curves, dislocations initiation, distributions of interatomic forces, is investigated on 2D LJ crystal with one deficiency for both tensile and cyclic deformations. It is shown that the associated structural properties of the crystal strongly depend on the specified level of numerical accuracy. It also found that during the cyclic deformation a hysteretic loop is formed. The latter is called a numerical hysteresis since theoretically it must vanish at the global minimum. The trend of the area of the hysteretic loop to zero with increasing accuracy is investigated numerically.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 42, Issue 3, May 2008, Pages 478–482
Journal: Computational Materials Science - Volume 42, Issue 3, May 2008, Pages 478–482
نویسندگان
Oleg Vinogradov,