کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7961360 1513930 2013 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The structure and mechanical properties in amorphous alumina under pressure
ترجمه فارسی عنوان
ساختار و خواص مکانیکی در آلومینیم آمورف تحت فشار
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
چکیده انگلیسی
Molecular dynamics simulations of amorphous alumina with various densities ranged from 2.84 to 3.81 g cm−3 were carried out to investigate their local atomic configuration and mechanical properties. The local atomic structure was analyzed through the pair radial distribution functions, bond angle distributions and simplex statistics. The simulation reveals that a mathematic expression can be derived from a relationship between bond angle distribution and structural units AlOx (and linkages OAly). The density can be estimated through the fraction of structural units AlOx. Void volume and void radii decrease as the density increases. Based on the analysis of simplex statistics, the perfect tetrahedron AlO4 (PTE) was determined. These PTEs may connect to each other via common oxygen to create a large poly-PTE. The largest poly-PTE consists of 19.2% Al in the sample with the lowest density and 3.8% Al in one with the highest density. From deformation of samples, elastic moduli and Poisson ratio were determined. The Young's modulus and yield stress increase with the increasing density. The strain hardening becomes more pronounced as the density increases.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 79, November 2013, Pages 110-117
نویسندگان
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