Optical Conductivity of Impurity-Doped Parabolic Quantum Wells in an Applied Electric Field

The optical conductivity of impurity-doped parabolic quantum wells in an applied electric field is investigated with the memory-function approach, and the analytic expression for the optical conductivity is derived. With characteristic parameters pertaining to GaAs/Ga_1-xAl_xAs parabolic quantum wells, the numerical results are presented. It is shown that, the smaller the well width, the larger the peak intensity of the optical conductivity, and the more asymmetric the shape of the optical conductivity; the optical conductivity is more sensitive to the electric field, the electric field enhances the optical conductivity; when the dimension of the quantum well increases, the optical conductivity increases until it reaches a maximum value, and then decreases.     

纱线飞行的理论分析与试验研究

主喷嘴是喷气织机引纬系统的重要部件,将纱线速度从零提高到正常引纬速度.本文从理论上推导纱线在主喷嘴出口处速度的计算公式,通过搭建测试实验台及借助粒子图像测速技术,获得主喷嘴出口气场,实测不同纱线的飞行速度,分析比较理论值和实测值的差异,并讨论分析影响纱线飞行速度的主要因素.     

Hydrogen storage in Li-doped fullerene-intercalated hexagonal boron nitrogen layers

New materials for hydrogen storage of Li-doped fullerene (C₂₀, C₂₈, C₃₆, C₅₀, C₆₀, C₇₀)-intercalated hexagonal boron nitrogen (h-BN) frameworks were designed by using density functional theory (DFT) calculations. First-principles molecular dynamics (MD) simulations showed that the structures of the C _n -BN (n = 20, 28, 36, 50, 60, and 70) frameworks were stable at room temperature. The interlayer distance of the h-BN layers was expanded to 9.96–13.59 Å by the intercalated fullerenes. The hydrogen storage capacities of these three-dimensional (3D) frameworks were studied using grand canonical Monte Carlo (GCMC) simulations. The GCMC results revealed that at 77 K and 100 bar (10 MPa), the C₅₀-BN framework exhibited the highest gravimetric hydrogen uptake of 6.86 wt% and volumetric hydrogen uptake of 58.01 g/L. Thus, the hydrogen uptake of the Li-doped C _n -intercalated h-BN frameworks was nearly double that of the non-doped framework at room temperature. Furthermore, the isosteric heats of adsorption were in the range of 10–21 kJ/mol, values that are suitable for adsorbing/desorbing the hydrogen molecules at room temperature. At 193 K (–80 °C) and 100 bar for the Li-doped C₅₀-BN framework, the gravimetric and volumetric uptakes of H₂ reached 3.72 wt% and 30.08 g/L, respectively.     

Strong-Coupling System of the Electron-Ripplon on Liquid-Helium Film

The Landau-Pekar variational theory for investigating the strong-coupling system of electronphonon in crystals is employed to study the system of an electron strongly coupled to ripplons on the outer surface of the liquid-helium film. Analytical expressions of the ground state energy, the effective mass, the average number of virtual ripplons around the electron and the spatial extension of the electron are obtained. A dimensionless quantity of effective mass ratio has been introduced and compared with the model mass and the Feynman mass which exist in the literature.     

Interface Polaron Within Parallel Electric and Magnetic Fields

A combinative method of variational wavefunction and harmonic oscillator operator algebra is used to treat the interface polaron in a semi-infinite polar crystal within parallel electric and magnetic fields perpendicular to the interface. Both the bulk longitudinal optical phonon and the interface optical phonon together with the anisotropic mass of the electron are included. The energy level correction up to the second-order perturbation, cyclotron-resonance frequency and cyclotron mass are expressed as functions of the electric and magnetic fields and a parameter characterizing the mean distance of the polaron from the interface. This theory is used to calculate numerically the single heterostructure AlAs/GaAs, when the electron is at the X high-symmetry point of the conduction band of AlAs. The results show that the magnetic field greatly enhances the polaronic correction of the electron energy levels while the electric field only increases the correction of their surface optical phonon part but obviously decreases that of their bulk optical mode part and thus the total energy correction decreases as the electric field increases. The change of red shift due to the electron-phonon interaction with electric and magnetic fields is also obf ained.     

DEM simulations of die filling during pharmaceutical tabletting

The flow behaviour of powders from a stationary shoe into a moving die, which mimics the die filling process in a rotary tablet press, was analysed using a discrete element method （DEM）, in which 2D irregular shaped particles were considered. The influence of the particle shape, size and size distribution, the number of particles used in the simulation, the initial height of powder bed in the shoe, and the filling speed on the average mass flow rate and the critical filling speed （the highest speed at which the die can be completely filled） were explored. It has been found that a maximum flow rate is obtained at the critical filling speed for all systems investigated and poly-disperse systems have higher mass flow rates and higher critical filling speeds than mono-disperse systems. In addition, the powder with particles which can tessellate generally has a lower filling rate and a lower critical titling speed.     

Surface optical phonon—assisted electron Raman scattering in a semiconductor quantum disc

We have carried out a theoretical calculation of the differential cross section for the electron Raman scattering process associated with the surface optical phonon modes in a semiconductor quantum disc.electron states are considered to be confined within a quantum disc with infinite potential barriers.The optical phonon modes we have adopted are the slab phonon modes by taking into consideration the Frohlich interaction between an electron and a phonon.The selection rules for the Raman process are given.Numerical results and a discussion are also presented for various radii and thicknesses of the disc,and different incident radiation energies.     

Surface and interface optical phonon modes and electron-phonon interaction in a multi-shell spherical system

Within the framework of the dielectric continuum model, interface optical(IO) and surface optical(SO) phonon modes and the Fr?hlich electron-IO (SO) phonon interaction Hamiltonian in a multi-shell spherical system were derived and studied. Numerical calculation on CdS/HgS/H₂O and CdS/HgS/CdS/H₂O spherical systems have been performed. Results reveal that there are two IO modes and one SO mode for the CdS/HgS/H₂O system, one SO mode and four IO modes whose frequencies approach the IO phonon frequencies of the single CdS/HgS heterostructure with the increasing of the quantum number l for CdS/HgS/CdS/H₂O. It also showed that smaller l and SO phonon compared with IO phonon, have more significant contribution to the electron-IO (SO) phonon interaction. Received 16 October 2001 and Received in final form 23 January 2002 Published online 25 June 2002     

氦对LaNi5晶体结构的影响及其扩散特性研究

从密度泛函理论为基础的第一性原理出发,运用全势能线性缀加平面波(FLAPW)方法,对氚衰变后氦在合金中的占位以及LaNi₅He晶体结构进行了理论计算,并系统给出了氦在间隙间的迁移曲线.结果表明,氦原子在十二面体(1b)格位最稳定,并且氦从6m格位向1b格位迁移不存在势垒,而从2d格位向1b格位迁移则需越过1.55eV高的势垒.另外,氦从12n格位穿过12o格位最后到达6m格位也无明显势垒存在,并且处于4h格位之间的氦原子可以自由迁移,而相应12n格位之间的直接迁移则需跨越13.6eV高的势垒.最后还计算给出了氚衰变后合金的态密度、电子密度以及势能分布图,并与相应的LaNi₅H结构作了详细比较. 关键词： 全势能线性缀加平面波(FLAPW) 5He')" href="#">LaNi₅He 态密度 扩散     

复合漏电模型建立及阶梯场板GaN肖特基势垒二极管设计

准垂直GaN肖特基势垒二极管(SBD)因其低成本和高电流传输能力而备受关注.但其主要问题在于无法很好地估计器件的反向特性,从而影响二极管的设计.本文考虑了GaN材料的缺陷以及多种漏电机制,建立了复合漏电模型,对准垂直Ga N SBD的特性进行了模拟,仿真结果与实验结果吻合.基于此所提模型设计出具有高击穿电压的阶梯型场板结构准垂直GaN SBD.根据漏电流、温度和电场在反向电压下的相关性,分析了漏电机制和器件耐压特性,设计的阶梯型场板结构准垂直GaN SBD的Baliga优值BFOM达到73.81 MW/cm~2.