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Calculation of the electrostatic forces that act on carbon nanotubes placed In the vicinity of metallic protrusions

机译:计算作用在金属突起附近的碳纳米管的静电力

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Dielectrophoresis has appeared recently as a non-destructive means to manipulate and sort carbon nanotubes. In order to compute the electrostatic forces that act on carbon nanotubes when subjected to an external field and placed in the vicinity of metallic protrusions, we develop a technique that relies on a monopole-dipole description of the nanotubes and on a dielectric-function model of the metallic elements. The technique proceeds iteratively between these two descriptions in order to determine the nanotube polarization and the resulting counter-polarization of the metallic elements. Specific differentiation schemes as well as a finite-difference formulation of Poisson's equation are given in cartesian and cylindrical coordinates. As an application, we compute the polarization and forces that act on a metallic (5, 5) and a semiconducting (10, 0) nanotube, when placed in the vicinity of a flat metallic support with either a conical or semi-elliptical protrusion. The results quantify the relevant electrostatic forces as well as the contribution of the image interaction to these forces. It is shown that the nanotubes get more polarized and attracted to the protrusion when the latter has a semi-elliptical shape. The differences in the polarization and forces that act on the metallic (5, 5) and semiconducting (10, 0) nanotubes support the idea that dielectrophoresis may be used to separate them.
机译:介电电泳最近作为一种无损手段来处理和分选碳纳米管。为了计算当受到外场作用并置于金属突起附近时作用于碳纳米管的静电力,我们开发了一种技术,该技术依赖于碳纳米管的单极-偶极子描述以及碳纳米管的介电函数模型金属元素。为了确定纳米管的极化以及由此产生的金属元素的反极化,该技术在这两个描述之间进行了迭代。在笛卡尔和圆柱坐标系中给出了具体的微分方案以及泊松方程的有限差分公式。作为一种应用,当放置在带有圆锥形或半椭圆形突起的平坦金属支撑物附近时,我们可以计算作用在金属(5,5)和半导体(10,0)纳米管上的极化和力。结果量化了相关的静电力以及图像相互作用对这些力的贡献。结果表明,当突起具有半椭圆形形状时,纳米管变得更极化并被突起吸引。极化和作用在金属纳米管(5、5)和半导体纳米管(10、0)上的力的差异支持以下观点:可以使用介电泳来分离它们。

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