Predicting mechanical properties of single-walled carbon nanocones using a higher-order gradient continuum computational framework

Predicting mechanical properties of single-walled carbon nanocones using a higher-order gradient continuum computational framework
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使用高阶梯度连续计算框架预测单壁碳纳米锥的机械性能

DOI:
10.1016/j.compstruct.2012.04.017
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发表时间:
2012-11
影响因子:
6.3
通讯作者:
L.H. He
L.H. He
中科院分区:
工程技术1区
文献类型:
--
作者:
J.W. Yan;Liew K.M.;L.H. He

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高阶梯度连续体理论用于研究单壁碳纳米锥(SWCNC)的结构参数和弹性特性,其中高阶柯西-玻恩规则用于将碳原子结构的变形与连续体水平的变形联系起来。与单壁碳纳米管 (SWCNT) 不同,由于半径单调增加,SWCNC 的机械性能沿其侧边方向变化。在本构模型中,选择初始石墨片中的代表性单元来研究 SWCNC 的该域的机械性能。通过最小化未变形SWCNC中代表单元的势能,获得域的结构参数和弹性属性。不同的手性似乎对 SWCNC 的机械性能有很大影响。我们的研究选择了五种SWCNC来测试顶角对力学性能的影响。计算结果表明,当半径极大时,SWCNC 的力学性能趋向于石墨片常数,但随着顶角增大,这种趋势变得温和。
The higher-order gradient continuum theory is employed to study the structural parameters and elastic properties of single-walled carbon nanocones (SWCNCs), where the higher-order Cauchy–Born rule is used to link the deformation of the carbon atomic structure to that of the continuum level. Unlike single-walled carbon nanotubes (SWCNTs), mechanical properties of SWCNCs vary along its side edge’s direction, owing to the monotonically increasing radius. In the constitutive model, a representative cell in an initial graphite sheet is selected to study the mechanical property of this domain of SWCNCs. By minimizing the potential energy of the representative cell in the undeformed SWCNC, structural parameters and elastic properties of the domain are obtained. The varying chiralities seem to have a large impact on mechanical properties of SWCNCs. Five kinds of SWCNCs are chosen in our study to test the influence of the apex angle on mechanical properties. The computational results demonstrate that mechanical properties of SWCNCs trend to the constant of graphite sheet when the radius is extremely large but this trend becomes mild as the apex angle increases.
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