The buckling of single-walled carbon nanotubes upon bending: The higher order gradient continuum and mesh-free method
The buckling of single-walled carbon nanotubes upon bending: The higher order gradient continuum and mesh-free method
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DOI：
10.1016/j.cma.2008.02.003
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发表时间：
2008-06
影响因子：
7.2
通讯作者：
Yuzhou Sun;K. Liew
中科院分区：
文献类型：
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作者：
Yuzhou Sun;K. Liew
采用高阶梯度连续介质的理论格式研究了单壁碳纳米管的弯曲屈曲问题。考虑了二阶变形梯度的影响，用扩展的柯西-伯恩规则来近似底层晶格向量的变形，并通过最小化代表单元的能量来确定连续本构响应。采用无网格法对SWCNTs进行了数值模拟，并对其弯曲屈曲行为进行了数值模拟。结果与全原子模拟结果进行了比较，表明所建立的无网格模拟方法能够准确地反映SWCNTs的弯曲变形。对不同类型的碳纳米管进行了研究，并对其屈曲机理进行了探讨。
The bending buckling of single-walled carbon nanotubes (SWCNTs) is studied in the theoretical scheme of the higher order gradient continuum. The deformation of the underlying lattice vectors is approximated with an extended Cauchy–Born rule in which the effect of the second order deformation gradient is considered, and the continuum constitutive responses are determined by minimizing the energy of the representative cell. A mesh-free method is developed to implement the numerical modeling of SWCNTs, and their bending buckling behavior is numerically simulated with the developed method. The results are compared with those obtained with a full atomistic simulation, and it is revealed that the developed mesh-free method can accurately exhibit the bending deformation of SWCNTs. Different types of carbon nanotubes (CNTs) are studied, and the buckling mechanism is investigated.