کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1601518 | 1005201 | 2008 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Noncrystalline atomic arrangements computationally created from crystalline compound by treating groups of atoms as hypothetical clusters
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
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چکیده انگلیسی
A computational method to create a noncrystalline structure from a crystalline compound related to metallic glass has been proposed based on the idea that groups of atoms in a compound can be treated as hypothetical clusters. This computational method was applied to the C6Cr23 structure, which was viewed as an ensemble of clusters and remaining atoms in its a unit cell. Allowing the clusters to randomly rotate around their centers of mass caused drastic changes in the atomic arrangements from a crystalline to noncrystalline-like structure in the as-prepared structure. A subsequent relaxation in the molecular dynamics simulation confirmed the noncrystalline character of the atomic arrangements in the relaxed structure.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Intermetallics - Volume 16, Issue 2, February 2008, Pages 283–292
Journal: Intermetallics - Volume 16, Issue 2, February 2008, Pages 283–292
نویسندگان
A. Takeuchi, K. Yubuta, Y. Yokoyama, A. Makino, A. Inoue,