کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1576457 | 1514782 | 2013 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Mechanical properties of defective γ-graphyne using molecular dynamics simulations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
دانش مواد (عمومی)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Mechanical properties of defective γ-graphyne using molecular dynamics simulations Mechanical properties of defective γ-graphyne using molecular dynamics simulations](/preview/png/1576457.png)
چکیده انگلیسی
This paper explores the mechanical properties of perfect and defective γ-graphyne, a lattice of sp-sp2-hybridized carbon atoms, as a graphene allotrope using the classical molecular dynamics simulations. These simulations are carried out on the basis of the Tersoff-Brenner potential function with the Nose-Hoover thermostat algorithm in canonical ensemble. In this examination, the influences of vacancy defects on mechanical properties of γ-graphyne such as Young's modulus, ultimate stress and strain and Poisson's ratio are studied. The results demonstrated lower strength and stiffness of this new graphene allotrope than those of graphene. Also, it is observed that in comparison with the mapped vacancy defects, the random vacancy ones are more responsible for the change in the mechanical properties of γ-graphyne. Furthermore, the fracture pattern of defective γ-graphyne is considered.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Materials Science and Engineering: A - Volume 561, 20 January 2013, Pages 34-39
Journal: Materials Science and Engineering: A - Volume 561, 20 January 2013, Pages 34-39
نویسندگان
S. Ajori, R. Ansari, M. Mirnezhad,