Curvature-induced quantum behaviour on a helical nanotube

We investigate the effect of curvature on the behaviour of a quantum particle bound to move on a surface shaped as a helical tube. We derive and discuss the governing Schrödinger equation and the corresponding quantum effective potential which is periodic and points to the helical configuration as more energetically favorable as compared to the straight tube. The exhibited periodicity also leads to energy band structure of pure geometrical origin.     

Stability of carbon nanotubes: how small can they be?

Experimental evidence has been found for the existence of small single wall carbon nanotubes with diameters of 0.5 and 0.33 nm by high resolution transmission electron microscopy, and their mechanical stability was investigated using tight-binding molecular dynamics simulations. It is shown that, while the carbon tubes with diameters smaller than 0.4 nm are energetically less favorable than a graphene sheet, some of them are indeed mechanically stable at temperatures as high as 1100 degrees C. The 0.33 nm carbon tube observed is likely a (4, 0) tube and is indeed part of a compound nanotube system that forms perhaps the smallest metal-semiconductor-metal tubular junction yet synthesized.     

Structural and electronic properties of chiral single-wall copper nanotubes

The structural,energetic and electronic properties of chiral(n,m)(3≤n≤6,n/2≤m≤n)single-wall copper nanotubes(CuNTs)have been investigated by using projector-augmented wave method based on density-functional theory.The(4,3)CuNT is energetically stable and should be observed experimentally in both free-standing and tip-suspended conditions,whereas the(5,5)and(6,4)CuNTs should be observed in free-standing and tip-suspended conditions,respectively.The number of conductance channels in the CuNTs does not always correspond to the number of atomic strands comprising the nanotube.Charge density contours show that there is an enhanced interatomic interaction in CuNTs compared with Cu bulk.Current transporting states display different periods and chirality,the combined effects of which lead to weaker chiral currents on CuNTs.     

脉冲放电产生螺旋流注的等离子体特性研究

通过脉冲放电方式产生三维螺旋形的等离子体放电通道,在高速摄像机拍摄下观察到放电通道中的发光电离体以流注形式沿螺旋轨迹快速传播.建立电磁模型解释螺旋放电的形成机制,对造成对称性破缺及影响其手性性质的极向电场进行分析.研究表明,螺旋放电产生的放电通道存在两种不同的手性特征,而脉冲重复频率等放电参数及边界条件对螺旋流注的传播特性存在影响.脉冲电源驱动的电磁场在介质管内所形成的波模是极向电场形成的一个重要来源,当极向电场与轴向电场强度相近时则形成螺旋流注放电.     

First-Principles Study of Li Doping in a Double-Wall Carbon Nanotube

By performing first-principles calculations, we study Li doping in a double-wall carbon nanotube where a （5,0） tube is confined inside a （14,0） tube. There are three possible sites for Li doping and two of them are energetically favorable. The change of energy band structure is closely related to the doping sites and the charge transfer is investigated. Bader charge analysis indicates that Li prefers to donate its electron to the inner （5,0） tube. Moreover, the Li capacity of the system can reach LIC4.75 which makes it a promising candidate for Li-ion battery materials.     

Model for curvature-driven pearling instability in membranes

A phase-field model for dealing with dynamic instabilities in membranes is presented. We use it to study curvature-driven pearling instability in vesicles induced by the anchorage of amphiphilic polymers on the membrane. Within this model, we obtain the morphological changes reported in recent experiments. The formation of a homogeneous pearled structure is achieved by consequent pearling of an initial cylindrical tube from the tip. For high enough concentration of anchors, we show theoretically that the homogeneous pearled shape is energetically less favorable than an inhomogeneous one, with a large sphere connected to an array of smaller spheres.     

Light-induced instabilities driven by competing helical patterns in long-pitch cholesterics

We study theoretically the dynamical reorientation phenomena when a long-pitch cholesteric liquid-crystal film with homeotropic alignment is illuminated by a circularly polarized lightwave. In the present case, the natural cholesteric pitch is of the order of (or larger than) the film thickness. The helical cholesteric structure is thus frustrated by the boundary conditions without illumination. However, above a light intensity threshold reorientation occurs and the bifurcation scenario depends strongly on the natural cholesteric pitch. Recalling that a long-pitch cholesteric is achieved in practice by adding a small amount of chiral agents in a nematic liquid crystal, the observed dynamics can be viewed as the result of the competition between intrinsic and extrinsic unidimensional helical patterns. The intrinsic part consists of the helical deformations induced by the chirality of the dopant, whereas the extrinsic part is related to the chirality induced by the optical field through the non-uniform angular momentum transfer of light to a nematic. The all-optical analog in the case of a pure nematic (without chiral dopant), is also discussed.     

Chirofibers with helical windings - An analytical investigation

In this communication, the propagation characteristic of a chiral fiber having helical windings at the core-cladding boundary is analyzed in respect of the relative distribution of power over the sustained modes. The core and the cladding sections of the chirofiber are assumed to have different chirality admittance values while the helical winding pitch angle is considered to attain two particular values -0^° and 90°. It is observed that the introduction of helical structure leaves a dominant effect on the relative power distribution of the chiral fiber as the variations of the confinement factor with the allowed values of the propagation constants corresponding to different azimuthal modes exhibit much difference in nature for different values of the angle of pitch. It is noticed that the power confinement in the core is much higher when the pitch angle of the helix is effectively introduced by keeping the windings perpendicular to the propagation direction. Further, the property of mode degeneracy in chirofibers is also observed, which is reported to be of much significance when the helical structure remains parallel to the direction of propagation. A more profound mode degeneration characteristic is found for the chiral fiber with larger core dimension.     

Perturbed soliton-like molecular excitations in a deformed DNA chain

We study the nonlinear dynamics of a deformed Deoxyribonucleic acid (DNA) molecular chain which is governed by a perturbed sine-Gordon equation coupled with a linear wave equation representing the lattice deformation. The DNA chain considered here is assumed to be deformed periodically which is the energetically favourable configuration, and the periodic deformation is due to the repulsive force between base pairs, stress in the helical backbones and due to the elastic strain force in both the strands. A multiple scale soliton perturbation analysis is carried out to solve the perturbed sine-Gordon equation and the resultant perturbed kink and antikink solitons represent open state configuration with small fluctuation. The perturbation due to periodic deformation of the lattice changes the velocity of the soliton. However, the width of the soliton remains unchanged.     

Chiral Lithography with Vortex Non-diffracted Laser for Orbital Angular Momentum Detection

Chiroptical response, demonstrating chiral interaction between optical vortex and chiral structure, plays an important role in variety of fields like optics and material science. However, the flexibility and efficiency of chiral structure fabrication are limited due to mask requirement and a point-by-point constructing strategy. In this paper, a novel chiral lithography method is proposed that utilizes optical vortex phase beam shaping to achieve chiral structure processing with high efficiency and flexibility. By programming topological charges of the vortex phase, chiral structures with adjustable appearance, rotation, and chirality can be produced using femtosecond laser single pulse exposure. Transmittance measurements of fabricated chiral structures array confirm a 66% helical dichroism that is predicted by simulation. Moreover, with the aid of convolutional neural networks (CNN), an accuracy of 98% in Orbital Angular Momentum (OAM) recognition can be achieved. This chiral lithography method provides an alternative for chiral structure fabrication and holds promise in the development of chiral optics, optical communications, and next-generation optical devices.     

Stable single helical C-and I-chains inside single-walled carbon nanotubes

The helicity of stable single helical carbon chains and iodine chains inside single-walled carbon nanotubes(SWCNTs)is studied by calculating the systematic van der Waals interaction energy.The results show that the optimal helical radius increases linearly with increasing tube radius,which produces a constant separation between the chain structure and the tube wall.The helical angle exhibits a ladder-like decrease with increasing tube radius,indicating that a large tube can produce a small helicity in the helical structures.     

Initial incorporation of sulfur into the Pd(1 1 1) surface: A theoretical study

Density functional theory is used to investigate the initial inclusion of sulfur into the subsurface interstitial sites of Pd(1 1 1) surface. Pure subsurface adsorption is found to be less energetically favorable than on-surface adsorption. The incorporation of sulfur into the metal becomes more favorable than continuous adsorption on the surface after a critical on-surface sulfur coverage. We find subsurface sulfur occupation to be energetically favorable after adsorption of more than half a monolayer on the surface. Occupation of subsurface sites induces a pronounced structural distortion of the Pd(1 1 1) surface. We find significant expansion of interplanar spacing between the uppermost surface metal layers and rearrangement of the S overlayer. The interplay between the energy cost due to structural distortion of Pd(1 1 1) and the energy gain due to bond formation for different structures is discussed.     

A one-dimensional continuous model for carbon nanotubes

The two-dimensional (2D) continuous elastic energy model for isotropic tubes is reduced to a one-dimensional (1D) curvature elastic energy model strictly. This 1D model is in accordance with the Kirchhoff elastic rod theory. Neglecting the in-plane strain energy in this model, it is suitable to investigate the nature features of carbon nanotubes (CNTs) with large deformations and can also reduce to the string model in [Z.C. Ou-Yang et al., Phys. Rev. Lett. 76, 4055 (1997)] when the deformation is small enough. For straight chiral shapes, this general model indicates that the difference of the chiral angle between two equilibrium states is about π/6, which is consistent with the lattice model. It also reveals that the helical shape has lower energy for per atom than the straight shape has in the same condition. By solving the corresponding equilibrium shape equations, the helical tube solution is in good agreement with the experimental result, and super helical shapes are obtained and we hope they can be found in future experiments.     

单壁碳纳米管在石墨基底上运动的分子动力学模拟

采用分子动力学模拟方法研究单壁碳纳米管在石墨基底上的运动.首先碳纳米管在基底弛豫至平衡状态，然后对其施加一固定外力，撤去外力后，碳纳米管在基底上逐渐减速至停止.为了研究管径、手性角对运动方式的影响，本文选择了C(10,10)，C(10,9)，C(10,8)，C(10,5)，C(10,0)，C(8,8)六种单壁碳纳米管进行模拟.结果表明，碳纳米管在石墨基底上的运动方式由手性角决定，与管径无关.手性角等于30°时，碳纳米管与石墨基底之间为公度结构，碳纳米管的运动出现周期性的滑动和翻滚现象；手性角大于28.3°小于30°时，碳纳米管一边向前滑动一边滚动；手性角小于26.3°时，碳纳米管在基底上滑动.碳纳米管的手性角决定了它与石墨基底接触界面的微观构型，从而决定了碳纳米管的运动方式. 关键词： 分子动力学模拟 碳纳米管 动能 结构公度性     

Stress relief as the driving force for self-assembled bi nanolines

Bi nanolines self-assemble on Si(001) and are remarkable for their straightness and length-they are often more than 400 nm long, and a kink in a nanoline has never been observed. Through electronic structure calculations, we have found an energetically favorable structure for these nanolines that agrees with our scanning tunneling microscopy and photoemission experiments; the structure has an extremely unusual subsurface structure, comprising a double core of seven-membered rings of silicon. Our proposed structure explains all the observed features of the nanolines, and shows that surface stress resulting from the mismatch between the Bi and the Si substrates is responsible for their self-assembly. This has wider implications for the controlled growth of nanostructures on semiconductor surfaces.     

Two-qubit cells made of boron nitride nanotubes for a quantum computer

The electronic structure of boron nitride nanotubes (8, 0) with intercalated alkali metal atoms and alkaline-earth metal ions is studied. It is shown by calculation that the spin density is localized on individual atoms or ions. The antiferromagnetic state of a linear chain of atoms and ions turns out to be energetically more favorable. Exchange interaction between spins is fairly weak. Such systems are suggested to be used as two-qubit cells for a quantum computer.     

A hybrid helical structure of hard-sphere packing from sequential deposition

Abstract

A hybrid helical structure of equal-sized hard spheres in cylindrical confinement was discovered as a ‘by-product’ of the recently developed sequential deposition approach [Physical Review E 84, 050302(R) (2011)] for constructing the densest possible packings of such systems. Unlike the conventional triple-helix structure where its three strands of spheres are packed densely to form triads of close-packed, mutually touching spheres, in this novel helical phase, only two of its three strands of spheres are packed in this densest arrangement and the overall structure resembles a hybrid of the single and the double helix. This article explains how this previously unknown structure can be constructed via the abovementioned sequential deposition of spheres, which involves manipulating the positions of a few spheres to create a template for the deposition process. The findings show that it is possible to discover new structures through varying only the configuration of the few spheres that form the template, where this approach relies on a sensitive dependence of the deposition-generated structures on the template.     

Determination of bulk values of twist elasticity coefficient in a chiral smectic C* liquid crystal

A method is described for determination of bulk values of a twist elastic coefficient for smectic c-director in chiral smectic liquid crystals with a helical structure. The method was applied to 4-methylbutyloxy phenyl-4-octyloxy-benzoate (C8) in the chiral smectic C* phase. The measurements were performed using optical detection in a small deformation limit. In contrast to the usual methods, initial deformation of the helix (caused by strong surface interactions) was avoided by using homeotropic aligned thick samples. The critical temperature dependence of the measured coefficient was observed. The relation between the measured parameter and the smectic C order parameter is presented.     

Random lasing from dye-doped chiral nematic liquid crystals in oriented and non-oriented cells

These are the experimental results describing random lasing in dye-doped chiral nematic liquid crystals. A novel random lasing emission is studied in this article based on the helical domains of dye-doped chiral nematic liquid crystals in oriented and non-oriented cells. Under frequency doubled 532 nm Nd:YAG (yttrium aluminum garnet) laser-pumped optical excitation, we carefully observed and analysed random lasing from dye-doped chiral nematic liquid crystals with wavelength ranges from 600 nm to 620 nm. In addition, the line-width of multi-mode peaks is less than 0.2 nm. The difference between the two random lasing behaviours in the oriented and non-oriented cells arises from the fact that random lasing appearing in the oriented cell results from stronger multiple scattering of light generated by the spiral domains of the liquid crystal molecules. Furthermore, chiral nematic liquid crystal micro-domains with different orientations can induce variation of the diffusion constant, thereby resulting in a decrease or increase in the lasing intensity of the random lasers, and an increase or decrease in their energy thresholds. In addition, a detailed comparison of the two experimental results is also presented in the article, showing the dependence of the lasing threshold and the number of lasing modes on the transport mean free path, the excited area, and the sample size. This process allows us to obtain a random laser by changing the structure of the sample, realising tunable random lasers at low cost.     

Investigation of the Dielectric-Loaded, Ridged Helical Groove Slow-Wave System for the Millimeter Wave TWT

A dielectric-loaded, ridged helical groove slow-wave structure for the millimeter wave traveling wave tube is presented in this paper. The effects of the groove depth, ridge dimensions and the dielectric permitivety on the wave propagating properties and the interaction impedance are investigated in detail. From the analysis, it is indicated that for broader band amplification in a helical groove travelling wave tube, a ridged helical structure with shallow groove and loaded by dielectric with proper relative permitivety may be applied.