Mechanical properties of bilayer graphene sheets coupled by sp3 bonding
Mechanical properties of bilayer graphene sheets coupled by sp3 bonding
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DOI：
10.1016/j.carbon.2011.06.058
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发表时间：
2011-11
期刊：
影响因子：
10.9
通讯作者：
Yingyan Zhang;C. Wang;Yuan Cheng;Y. Xiang
中科院分区：
文献类型：
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作者：
Yingyan Zhang;C. Wang;Yuan Cheng;Y. Xiang
采用分子动力学模拟方法研究了sp3键合双层石墨烯片的杨氏模量、层间剪切模量和极限拉伸强度等力学性能。发现这些机械性能对双层GS中sp3键的存在很敏感。sp3键对层间剪切模量和荷载传递速率有增强作用，从而增强了GS在轴压作用下的稳定能力。然而，sp3键的存在也会导致杨氏模量、极限抗拉强度和相关断裂应变的降低。由sp3键引起的不利和强化效应也强烈依赖于它们的分布。模拟结果表明，少量的sp3键可以在GS中引入，以杨氏模量和抗拉强度的轻微恶化为代价，大大提高其载荷传递率和稳定性。
The mechanical properties, such as the Young’s modulus, the interlayer shear modulus and the ultimate tensile strength, of bilayer graphene sheets (GS) coupled by sp3bonding are investigated by molecular dynamics simulations. These mechanical properties are found to be sensitive to the presence of sp3bonds in the bilayer GS. The sp3bonds exert a strengthening influence on the interlayer shear modulus as well as the load transfer rate, thereby enhancing the stability capacity of GS under axial compression. However, the presence of sp3bonds also leads to a reduction in the Young’s modulus, ultimate tensile strength and the associated facture strain. The adverse and strengthening effects induced by the sp3bonds are also strongly dependent of their distributions. Simulation results suggest that a small amount of sp3bonds can be introduced in GS to improve its load transfer rate and stability substantially at the expense of a marginal deterioration in the Young’s modulus and tensile strength.