A molecular dynamics study of the mechanical properties of graphene nanoribbon-embedded gold composites
A molecular dynamics study of the mechanical properties of graphene nanoribbon-embedded gold composites
复制标题
DOI：
10.1039/c1nr10664c
复制
发表时间：
2011-01-01
期刊：
影响因子：
6.7
通讯作者：
Chen, Cha'o-Kuang
中科院分区：
文献类型：
--
作者：
Chien, Shih-Kai;Yang, Yue-Tzu;Chen, Cha'o-Kuang
采用分子动力学模拟方法研究了不同嵌入位置、温度和长度的单晶金纳米片和石墨烯纳米带嵌入金（GNR/Au）复合材料的力学性能。计算结果表明，GNR/Au复合材料的杨氏模量、拉伸强度和断裂应变均比纯金大得多。GNR/Au复合材料的力学性能由于C-C键断裂而急剧恶化。热波动和长度的增加会降低GNR/Au复合材料的力学性能。
Molecular dynamics simulations were performed to investigate the mechanical properties of a single-crystal gold nanosheet and graphene nanoribbon-embedded gold (GNR/Au) composites for various embedded locations, temperatures, and lengths. The computational results show that the Young's modulus, tensile strength, and fracture strain of GNR/Au composites are much larger than those of pure gold. The mechanical properties of GNR/Au composites deteriorate drastically due to C-C bond breaking. Thermal fluctuation and an increase in length can decrease the mechanical properties of GNR/Au composites.