棱形石墨烯纳米孔道内离子传输性能的分子动力学模拟

纳米通道的尺寸、结构和表面化学对其内部溶液的分布结构和输运性质有着重大影响.本文研究了一种全新的菱形石墨烯纳米通道.这种理想的通道与最近被广泛研究的金属有机框架材料(MOF)的内部结构类似,有着与传统的碳纳米管截然不同的内部结构.本文使用分子动力学模拟的方法研究在不同尺寸的菱形石墨烯纳米通道内的KCl溶液的性质,并将其与同尺寸的单壁碳纳米管进行了比较.研究结果表明在小孔道内(<20?)其内部的溶液结构呈现若干个密度极高的聚集区域,即出现了结晶化的趋势．这一研究结果,将为MOF的结构设计提供思路,从而有望实现类似于生物离子通道的高选择性和高传输能力.     

黑洞阴影在SSD中的位置和形状

假设旋转的黑洞在标准吸积盘内,在吸积盘的内边界等于最后稳定轨道的情况下,画出黑洞阴影在吸积盘的图像.通过定性和定量分析黑洞的形状和位置,发现对于相同质量的黑洞,黑洞阴影的大小及形状与黑洞的自旋参量有关.旋转黑洞阴影的形状和位置与它的旋转轴是不对称的,通过研究旋转轴与黑洞阴影的位置关系来确定黑洞的质量中心的位置及黑洞的旋转参量.     

Structural investigation on PEO-based polymer electrolytes dispersed with Al<Subscript>2</Subscript>O<Subscript>3</Subscript> nanoparticles

Thin solid polymer electrolytes based on polyethylene oxide (PEO) and silver triflate (AgCF₃SO₃) dispersed with various concentrations of aluminum oxide (Al₂O₃) nanoparticles have been prepared by solution casting technique. These thin polymer films are found to have thickness of the order of 30 to 100 μm. The X-ray diffraction (XRD) patterns have indicated the amorphous nature of the polymer electrolyte. The differential scanning calorimeter (DSC) traces showed slight change in the glass transition temperature (T _g) whereas the degree of crystallization (X _c) decreases markedly due to the addition of alumina nanoparticles. Fourier transform infrared (FTIR) spectral analysis of all these samples has revealed the presence of absorption bands around 1,000 cm⁻¹; thus indicating the complexation of silver ions with oxygen in PEO. Employing the Wagner’s polarization technique as the standard method, the total ionic transference number for the complexed polymer electrolyte was found to be approximately unity thereby revealing that the significant contribution to electrical conduction was due to ions only. Paper presented at the Third International Conference on Ionic Devices (ICID 2006), Chennai, Tamilnadu, India, December 7–9, 2006     

X‐ray collimation by crystals with precise parabolic holes based on diffractive–refractive optics

Two crystals with precise parabolic holes were used to demonstrate sagittal beam collimation by means of a diffractive–refractive double‐crystal monochromator. A new approach is introduced and beam collimation is demonstrated. Two Si(333) crystals with an asymmetry angle of α = 15° were prepared and arranged in a dispersive position (+,?,?,+). Based on theoretical calculations, this double‐crystal set‐up should provide tunable beam collimation within an energy range of 6.3–18.8 keV (Θ_B = 71–18.4°). An experiment study was performed on BM05 at ESRF. Using 8.97 keV energy, the beam profile at various distances was measured. The experimental results are in good agreement with theoretical predictions. Owing to insufficient harmonic suppression, the collimated (333) beam was overlapped by horizontally diverging (444) and (555) beams.     

Hopping Transport and Stochastic Dynamics of Electrons in Plasma Layers

We investigate the stochastic dynamics and the hopping transfer of electrons embedded into two‐dimensional atomic layers. First we formulate the quantum statistics of general atom ‐ electron systems based on the tight‐binding approximation and express ‐ following linear response transport theory ‐ the quantum‐mechanical time correlation functions and the conductivity by means of equilibrium time correlation functions. Within the relaxation time approach an expression for the effective collision frequency is derived in Born approximation, which takes into account quantum effects and dynamic effects of the atom motion through the dynamic structure factor of the lattice and the quantum dynamics of the electrons. In the last part we derive Pauli equations for the stochastic electron dynamics including nonlinear excitations of the atomic subsystem. We carry out Monte Carlo simulations and show that mean square displacements of electrons and transport properties are in a moderate to high temperature regime strongly influenced by by soliton‐type excitations and demonstrate the existence of percolation effects (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Hartree-Fock studies of quantum dots and the 0.7 anomaly

We apply unrestricted Hartree-Fock to modelling two systems:

(1)

We calculate the spin structure and addition spectra of small symmetric quantum dots (often called 2D “artificial atoms”), improving the accuracy considerably by including, for the first time, second-order correlation corrections. We compare the results to experiment and to previous numerical works, and find that our spin structure in some cases disagrees with that calculated within mean-field theories, such as Hartree-Fock without correlation corrections, or density-functional theory [C. Sloggett, O.P. Sushkov, Phys. Rev. B 71 (2005) 235326].

(2)

We model the well-known 0.7 anomaly in the conductance of a quantum point contact. We calculate the conductance using direct calculation of scattering phases on a ring, within Hartree-Fock. We observe strong localisation of the Fermi electrons on the barrier, and suggest a mechanism for the observed temperature-dependent conductance anomaly.

     

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为在更高参数运行的HL-2A装置上实现等离子体芯部加料,设计了一套基于G-M循环制冷机的25管弹丸注入系统。描述了该系统的构成、工程参数,给出了系统的结构设计,并对各组成部件进行热力分析计算。对枪管温度梯度的建立及控制、弹丸注入方式等进行了讨论。     

Spin-polarized transport in carbon nanotubes

We present transport measurements of ferromagnetically contacted carbon nanotubes. In both single- and multi-walled nanotube devices, a spin valve effect is observed due to spin-polarized transport. In one single-walled nanotube device, the spin-valve effect is suppressed as the influence of Coulomb charging is observed at around 10 K. To help understand the interplay between the Coulomb charging and the spin-polarized transport we investigated the temperature dependence of the carbon nanotube magnetoresistance.     

环形光栅的菲涅耳衍射

在圆孔的菲涅耳衍射的基础上 ,讨论环形光栅的菲涅耳衍射 ,并给出了计算机仿真结果