440 research outputs found

    Kinks, rings, and rackets in filamentous structures

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    Carbon nanotubes and biological filaments each spontaneously assemble into kinked helices, rings, and "tennis racket" shapes due to competition between elastic and interfacial effects. We show that the slender geometry is a more important determinant of the morphology than any molecular details. Our mesoscopic continuum theory is capable of quantifying observations of these structures, and is suggestive of their occurrence in other filamentous assemblies as well.Comment: This paper was originally published in PNAS 100: 12141-12146 (2003). The present version has corrected Eq. 3, A1, and A2, and some minor typo

    Structural stability and energetics of single-walled carbon nanotubes under uniaxial strain

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    A (10x10) single-walled carbon nanotube consisting of 400 atoms with 20 layers is simulated under tensile loading using our developed O(N) parallel tight-binding molecular-dynamics algorithms. It is observed that the simulated carbon nanotube is able to carry the strain up to 122% of the relaxed tube length in elongation and up to 93% for compression. Young s modulus, tensile strength, and the Poisson ratio are calculated and the values found are 0.311 TPa, 4.92 GPa, and 0.287, respectively. The stress-strain curve is obtained. The elastic limit is observed at a strain rate of 0.09 while the breaking point is at 0.23. The frequency of vibration for the pristine (10x10) carbon nanotube in the radial direction is 4.71x10^3 GHz and it is sensitive to the strain rate.Comment: 11 pages, 8 figure

    Single- and multi-walled carbon nanotubes viewed as elastic tubes with Young's moduli dependent on layer number

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    The complete energy expression of a deformed single-walled carbon nanotube (SWNT) is derived in the continuum limit from the local density approximation model proposed by Lenosky {\it et al.} \lbrack Nature (London) {\bf 355}, 333 (1992)\rbrack and shows to be content with the classic shell theory by which the Young's modulus, the Poisson ratio and the effective wall thickness of SWNTs are obtained as Y=4.70Y=4.70TPa, ν=0.34\nu=0.34, h=0.75A˚h=0.75{\rm \AA}, respectively. The elasticity of a multi-walled carbon nanotube (MWNT) is investigated as the combination of the above SWNTs of layer distance d=3.4A˚d=3.4 {\rm \AA} and the Young's modulus of the MWNT is found to be an apparent function of the number of layers, NN, varying from 4.70TPa to 1.04TPa for N=1 to \infty.Comment: 4 pages, 1 figur

    Nonlinear resonance in a three-terminal carbon nanotube resonator

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    The RF-response of a three-terminal carbon nanotube resonator coupled to RF-transmission lines is studied by means of perturbation theory and direct numerical integration. We find three distinct oscillatory regimes, including one regime capable of exhibiting very large hysteresis loops in the frequency response. Considering a purely capacitive transduction, we derive a set of algebraic equations which can be used to find the output power (S-parameters) for a device connected to transmission lines with characteristic impedance Z0Z_0.Comment: 16 pages, 8 figure

    Atomistic Simulations of Nanotube Fracture

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    The fracture of carbon nanotubes is studied by atomistic simulations. The fracture behavior is found to be almost independent of the separation energy and to depend primarily on the inflection point in the interatomic potential. The rangle of fracture strians compares well with experimental results, but predicted range of fracture stresses is marketly higher than observed. Various plausible small-scale defects do not suffice to bring the failure stresses into agreement with available experimental results. As in the experiments, the fracture of carbon nanotubes is predicted to be brittle. The results show moderate dependence of fracture strength on chirality.Comment: 12 pages, PDF, submitted to Phy. Rev.

    Testing T Invariance in the Interaction of Slow Neutrons with Aligned Nuclei

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    The study of five-fold (P even, T odd) correlation in the interaction of slow polarized neutrons with aligned nuclei is a possible way of testing the time reversal invariance due to the expected enhancement of T violating effects in compound resonances. Possible nuclear targets are discussed which can be aligned both dynamically as well as by the "brute force" method at low temperature. A statistical estimation is performed of the five-fold correlation for low lying p wave compound resonances of the 121^{121}Sb, 123^{123}Sb and 127^{127}I nuclei. It is shown that a significant improvement can be achieved for the bound on the intensity of the fundamental parity conserving time violating (PCTV) interaction.Comment: 22 pages, 5 figures, published versio

    Polyelectrolyte microcapsules as a tool to enhance photosensitizing effect of chlorin E6

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    The inclusion of chlorin E6 in polymer capsules reduced dark toxicity and increased the photosensitizing effect compared to the free form of ClE

    Dislocations and Grain Boundaries in Two-Dimensional Boron Nitride

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    A new dislocation structure-square-octagon pair (4|8) is discovered in two-dimensional boron nitride (h-BN), via first-principles calculations. It has lower energy than corresponding pentagon-heptagon pairs (5|7), which contain unfavorable homo-elemental bonds. Based on the structures of dislocations, grain boundaries (GB) in BN are investigated. Depending on the tilt angle of grains, GB can be either polar (B-rich or N-rich), constituted by 5|7s, or un-polar, composed of 4|8s. The polar GBs carry net charges, positive at B-rich and negative at N-rich ones. In contrast to GBs in graphene which generally impede the electronic transport, polar GBs have smaller bandgap compared to perfect BN, which may suggest interesting electronic and optic applications

    Ab-initio structural, elastic, and vibrational properties of carbon nanotubes

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    A study based on ab initio calculations is presented on the estructural, elastic, and vibrational properties of single-wall carbon nanotubes with different radii and chiralities. We use SIESTA, an implementation of pseudopotential-density-functional theory which allows calculations on systems with a large number of atoms per cell. Different quantities like bond distances, Young moduli, Poisson ratio and the frequencies of different phonon branches are monitored versus tube radius. The validity of expectations based on graphite is explored down to small radii, where some deviations appear related to the curvature effects. For the phonon spectra, the results are compared with the predictions of the simple zone-folding approximation. Except for the known defficiencies of this approximation in the low-frequency vibrational regions, it offers quite accurate results, even for relatively small radii.Comment: 13 pages, 7 figures, submitted to Phys. Rev. B (11 Nov. 98
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