کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10644536 | 999625 | 2008 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Molecular dynamics simulations of the stability of and defects in ZnO nanosheets
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مکانیک محاسباتی
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چکیده انگلیسی
The stability and defect formation during the relaxation of zinc oxide nanosheets were studied by molecular dynamics simulations. During the relaxation, an initial flat nanosheet bent to form a curved sheet with approximately a constant radius of curvature. It was found that there was a critical thickness, above which a defect-free nanosheet was formed while below which a defected nanosheet was formed. Two types of defects were found, which resulted from the passage of a perfect dislocation and a partial dislocation, respectively. Energetic analysis based on the continuum framework was also performed and compared favorably with the molecular dynamics simulation results.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 44, Issue 1, November 2008, Pages 86-90
Journal: Computational Materials Science - Volume 44, Issue 1, November 2008, Pages 86-90
نویسندگان
Z.Y. Man, Y.W. Zhang, David J. Srolovitz,