Young's modulus of graphene: A molecular dynamics study

被引：397

作者：

Jiang, Jin-Wu ^{[1
,2
]}

Wang, Jian-Sheng ^{[1
,2
]}

Li, Baowen ^{[1
,2
,3
]}

机构：

[1] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore

[2] Natl Univ Singapore, Ctr Computat Sci & Engn, Singapore 117542, Singapore

[3] NUS Grad Sch Integrat Sci & Engn, Singapore 117456, Singapore

来源：

PHYSICAL REVIEW B | 2009年 / 80卷 / 11期

关键词：

ELASTIC PROPERTIES; CARBON NANOTUBES; AB-INITIO;

D O I：

10.1103/PhysRevB.80.113405

中图分类号：

T [工业技术];

学科分类号：

120111 [工业工程];

摘要：

The Young's modulus of graphene is investigated through the intrinsic thermal vibration in graphene which is "observed" by molecular dynamics and the results agree very well with the recent experiment [Lee et al., Science 321, 385 (2008)]. This method is further applied to show that the Young's modulus of graphene (1) increases with increasing size and saturates after a threshold value of the size; (2) increases from 0.95 to 1.1 TPa as temperature increases in the region [100, 500] K; (3) is insensitive to the isotopic disorder in the low disorder region (<5%) and decreases gradually after further increasing the disorder percentage.

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页数：4

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