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Register a new userGas condensation within a bundle of carbon nanotubes - effects of screening
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We study the low temperature phase behavior of hydrogen within a bundle of carbon nanotubes. Because the carbon environment weakens the attraction between molecules within the same interstitial channel (IC), the ground state of the one-dimensional (1D) system is an uncondensed gas. When the screened attractive interaction between molecules in adjacent ICs is taken into account, the hydrogen ground state is a quasi-1D liquid. The critical temperature of this system is estimated.
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The simulation of field electron emission from arrays of micrometer-long open-ended (5, 5) carbon nanotubes is performed in the framework of quantum theory of many electrons. It is found that the applied external field is strongly screened when the spacing distance is shorter than the length of the carbon nanotubes. The optimal spacing distance is two to three times of the nanotube length, slightly depending on the applied external fields. The electric screening can be described by a factor that is a exponential function of the ratio of the spacing distance to the length of the carbon nanotubes. For a given length, the field enhancement factor decreases sharply as the screening factor larger than 0.05. The simulation implies that the thickness of the array should be larger than a value but it does not help the emission much by increasing the thickness a great deal.
We perform ab initio calculations of charged graphene and single-wall carbon nanotubes (CNTs). A wealth of electromechanical behaviors is obtained: (1) Both nanotubes and graphene expand upon electron injection. (2) Upon hole injection, metallic nanotubes and graphene display a non-monotonic behavior: Upon increasing hole densities, the lattice constant initially contracts, reaches a minimum, and then starts to expand. The hole densities at minimum lattice constants are 0.3 |e|/atom for graphene and between 0.1 and 0.3 |e|/atom for the metallic nanotubes studied. (3)Semiconducting CNTs with small diameters (d <~ 20 A) always expand upon hole injection; (4) Semiconducting CNTs with large diameters (d >~ 20 A) display a behavior intermediate between those of metallic and large-gap CNTs. (5) The strain versus extra charge displays a linear plus power-law behavior, with characteristic exponents for graphene, metallic, and semiconducting CNTs. All these features are physically understood within a simple tight-binding total-energy model.
Helium atoms or hydrogen molecules are believed to be strongly bound within the interstitial channels (between three carbon nanotubes) within a bundle of many nanotubes. The effects on adsorption of a nonuniform distribution of tubes are evaluated. The energy of a single particle state is the sum of a discrete transverse energy Et (that depends on the radii of neighboring tubes) and a quasicontinuous energy Ez of relatively free motion parallel to the axis of the tubes. At low temperature, the particles occupy the lowest energy states, the focus of this study. The transverse energy attains a global minimum value (Et=Emin) for radii near Rmin=9.95 Ang. for H2 and 8.48 Ang.for He-4. The density of states N(E) near the lowest energy is found to vary linearly above this threshold value, i.e. N(E) is proportional to (E-Emin). As a result, there occurs a Bose-Einstein condensation of the molecules into the channel with the lowest transverse energy. The transition is characterized approximately as that of a four dimensional gas, neglecting the interactions between the adsorbed particles. The phenomenon is observable, in principle, from a singular heat capacity. The existence of this transition depends on the sample having a relatively broad distribution of radii values that include some near Rmin.
An equivalent-multishell approach for the approximate calculation of the characteristics of electromagnetic waves propagating in almost circular (azimuthally symmetric), closely packed bundles of parallel, identical, and metallic carbon nanotubes (CNTs) yields results in reasonably good agreement with a many-body technique, for infinitely long bundles when the number of CNTs is moderately high. The slow-wave coefficients for azimunthally symmetric guided waves increase with the number of metallic CNTs in the bundle, tending for thick bundles to unity, which is characteristic of macroscopic metallic wires. The existence of an azimuthally nonsymmetric guided wave at low frequencies in a bundle of a large number of finite-length CNTs stands in contrast to the characteristics of guided-wave propagation in a single CNT. The equivalent-multishell approach yields the polarizability scalar and the antenna efficiency of a bundle of finite-length CNTs in the long-wavelength regime over a wide frequency range spanning the terahertz and the near-infrared regimes. Edge effects give rise to geometric resonances in such bundles. The antenna efficiency of a CNT bundle at the first resonance can exceed that of a single CNT by four orders of magnitude, which is promising for the design and development of CNT-bundle antennas and composite materials containing CNT-bundles as inclusions.
We have discovered that the influence of the surrounding nanotubes in a bundle is similar to that of a liquid having surface tension equal to the surface energy of the nanotubes. This surprising behaviour is confirmed by the calculation of the self-collapse diameters of nanotubes in a bundle. Other systems, such as peapods, fullerites, are similarly treated, including the effect of the presence of a solvent. Finally, we have evaluated the strength and toughness of the nanotube bundle, with or without collapsed nanotubes, assuming a sliding failure.
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