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Elastic properties and pressure-induced structural transitions of single-walled carbon nanotubes

机译:单壁碳纳米管的弹性和压力诱导的结构转变

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The mechanical properties and pressure-induced structural transitions of single-walled carbon nanotubes (SWCNTs) are studied in this paper in the theoretical scheme of the higher-order gradient continuum. Both the first- and second-order deformation gradients are involved in the approximation of the deformations of micro-scale lattice vectors, and the continuum elastic potential is obtained by equating the deformation energy of a representative cell with that of an equivalent volume of the continuum, and thus, the established continuum constitutive model is more reasonable. By setting an appropriate equation as the deformation map from a graphite sheet to an initial undeformed SWCNT, the elastic constants of SWCNTs are obtained by minimizing the energy of a representative cell. The response of SWCNTs under axis-symmetrical loadings can also be obtained by changing the values of the set geometrical parameters. Based on the derived constitutive model, a computational method is developed to study the response of SWCNTs under hydrostatic pressure.
机译:本文以高阶梯度连续体的理论方案研究了单壁碳纳米管(SWCNTs)的力学性能和压力诱导的结构转变。一阶和二阶变形梯度都与微尺度晶格矢量的变形近似有关,并且通过将代表性单元的变形能量与等效体积的连续体相等,可以获得连续体弹性势。 ,因此,建立的连续体本构模型更为合理。通过设置适当的方程作为从石墨片到初始未变形SWCNT的变形图,SWCNT的弹性常数可以通过使代表性单元的能量最小化而获得。也可以通过更改设置的几何参数的值来获得SWCNT在轴对称载荷下的响应。基于导出的本构模型,开发了一种计算方法来研究SWCNT在静水压力下的响应。

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