The conductivity properties of protons in ice and mechanism of magnetization of liquid water

From a study of electrical conductivity of protons in the hydrogen-bonded chains in ice we confirm that the magnetization of liquid water is caused by proton transfer in closed hydrogen-bonded chains occurring as a first order phase transition, through which the ice becomes liquid water. We first study the conductive properties of proton transfer along molecular chains in ice crystals in our model. Ice is a typical hydrogen-bonded molecular system, in which the interaction of localized fluctuation of hydrogen ions (H⁺) with deformation of a structure of hydroxyl group (OH) results in soliton motion of the protons along the molecular chains via ionic and bonded defects. We explain further the quantum conductive properties of proton transfer and determine its mobility and conductivity under constant electric-field using a new theory of proton transfer, which agree with experimental values. From features of first order phase-transition for ice, and some experimental data of pure and magnetized water we confirm further that there are not only free water molecules, but also many linear and closed hydrogen-bonded chains consisting of many polarized water-molecules in the liquid water. Thus a ring proton-current, which resembles to a “molecular current” or a “small magnet” in solids, can occur in the closed hydrogen-bond chains under action of an externally applied magnetic field. Then the water molecules in the closed chains can be orderly arrayed due to the magnetic interaction among these ring proton currents and the externally applied magnetic field. This is just the magnetized effect of the water. In such a case the optical and electronic properties of the water, including the dielectric constant, magnetoconductivity, refraction index, Raman and Infrared absorption spectra, are changed. We determine experimentally the properties of the magnetized water which agree with the theoretical results of our model. However, the magnetized effect of water is, in general, very small, and vanishes at temperatures above 100 ^○C.     

基于原子间相互作用的低温硅单晶负热膨胀机制的研究

运用晶格热膨胀的微扰理论,推导了硅晶体的热膨胀系数与原子间两体作用和三体作用的三阶力常数之间的关系公式,在此基础上对热膨胀系数的实验数据进行拟合,计算了硅晶体内的原子间两体和三体的三阶力常数,发现三体作用的三阶力常数为正数,是硅晶体在低温下具有负热膨胀性质的根本原因。计算与分析的结果表明,运用Stillinger-Weber模型得到的三阶力常数为负数,据此不可能计算得到低温下的负热膨胀系数,因此应该对该模型进行修正。     

基于原子间相互作用的低温硅单晶负热膨胀机制的研究

运用晶格热膨胀的微扰理论,推导了硅晶体的热膨胀系数与原子间两体作用和三体作用的三阶力常数之间的关系公式,在此基础上对热膨胀系数的实验数据进行拟合,计算了硅晶体内的原子间两体和三体的三阶力常数,发现三体作用的三阶力常数为正数,是硅晶体在低温下具有负热膨胀性质的根本原因。计算与分析的结果表明,运用Stillinger-Weber模型得到的三阶力常数为负数,据此不可能计算得到低温下的负热膨胀系数,因此应该对该模型进行修正。     

分数阶质量涨落谐振子的共振行为

针对黏性介质引起的Brown粒子质量存在随机涨落以及阻尼力对历史速度具有记忆性等问题, 本文首次提出分数阶质量涨落谐振子模型, 以考察黏性介质中Brown粒子的动力学特性. 首先, 将Shapiro-Loginov 公式分数阶化, 使之适用于对含指数关联随机系数的分数阶随机微分方程的求解. 然后, 利用随机平均法和分数阶Shapiro-Loginov公式推导系统稳态响应振幅的解析表达式, 并据此研究系统的共振行为; 最后, 通过仿真实验验证理论结果的可靠性. 研究表明: 1)质量涨落噪声可诱导系统产生随机共振行为; 2)记忆性阻尼力可诱导系统产生参数诱导共振行为; 3)不同参数条件下, 系统表现出单峰共振、双峰共振等多样化的共振形式. 关键词： 黏性介质 质量涨落 阻尼记忆性 分数阶谐振子     

在磁场作用下水的特性的变化和它的变化机理

我们研究了在磁场作用下水的光学性质和电学性质等的变化,实验发现它们的这些特性和未受磁场作用的水有重大改变特别是在红外光谱和拉曼光谱中的变化更加明显,这种现象就称为水的磁化。我们从水的中红外光谱得知在3000~3800 cm-1的范围内有奇特的六个峰值存在,从水分子结构和红外光谱的特性出发了解到它们分别代表了自由水分子的OH键的对称与反对称的振动,众多水分子通过氢键连接而成的线性链和环形链的OH键的对称与反对称振动,于是从这个实验我们看到了在这个水中存在有众多水分子结合成的环形氢键链的存在。我们用水分子的极化特性,一阶相变的特性和实验进一步证实了这些环形链的客观存在,根据质子或氢离子在氢键系统中传递理论得知在磁场的罗仑兹力作用下处于水中环形氢键链中质子能够进行传导产生环形电流.这些环形电流象一个分子电流或是个小磁体,它们能彼此相互作用或与外加磁场相互作用,从而改变了水分子的分布和结构状态,导致了水的一些特性的变化,这就是水的磁化的分子机理,我们用这个机理解释了我们从实验中所发现的磁处理过的水的特性如饱和效应和记忆效应等,因此这是非常有趣的实验和现象.     

基于尘埃等离子体理论的极区中层分层结构研究

根据尘埃等离子体理论,考虑到尘埃粒子的充放电过程,研究了尘埃冰晶粒子吞噬效应对极区中层电子浓度分层结构及电导率和介电常数的影响。结果表明,尘埃冰晶粒子的吞噬效应造成了极区中层80~90km 高度范围内电子浓度的分层结构,并进而导致这一区域尘埃等离子体电导率、介电常数沿高度出现明显的分层,为解释和研究极区中层夏季回波现象提供参考。     

Stability in parametric resonance of axially accelerating beams constituted by Boltzmann's superposition principle

Stability in transverse parametric vibration of axially accelerating viscoelastic beams is investigated. The governing equation is derived from Newton's second law, Boltzmann's superposition principle, and the geometrical relation. When the axial speed is a constant mean speed with small harmonic variations, the governing equation can be treated as a continuous gyroscopic system with small periodically parametric excitations and a damping term. The method of multiple scales is applied directly to the governing equation without discretization. The stability conditions are obtained for combination and principal parametric resonance. Numerical examples demonstrate that the increase of the viscosity coefficient causes the lager instability threshold of speed fluctuation amplitude for given detuning parameter and smaller instability range of the detuning parameter for given speed fluctuation amplitude. The instability region is much bigger in lower order principal resonance than that in the higher order.     

Structure of the near-electrode dissociation-recombination charged layers at various low-voltage conductivities of a low-conducting liquid

The current passage through a low-conducting liquid is simulated for a system of electrodes with a highly nonuniform electric-field distribution at voltages lower and higher than the threshold of appearance of electrohydrodynamic flows. The structure of the near-electrode dissociation-recombination charged layers is considered in terms of the following two-charge formation models: constant dissociation in the volume but without injection and injection from an electrode and constant dissociation in the volume. The change in the polarity of the near-electrode charged layer caused by an increase in the voltage or a change in the low-voltage conductivity of the liquid is analyzed. Two types of electrohydrodynamic flows, which appear in real electrohydrodynamic devices and have opposite directions, are obtained using one mathematical model.     

Dependence of space charge field and gain coefficient on the applied electric field in photorefractive materials

Intensity dependent space charge field and gain coefficient in the photorefractive medium due to the two interfering beams have been calculated by solving the material rate equations in presence of externally applied dc electric field. The gain coefficient has been studied with respect to variations in the input intensity, modulation depth, concentration ratio and normalized diffusion field in the absence and presence of the externally applied dc electric field. Space charge field has also been computed by varying the intensity ratio in the presence and absence of the externally applied dc electric field. It has been found that the rate of change of the space charge field with the normalized dc field decreases with the increasing intensity ratio for different values of the normalized diffusion field. It has also been found that the externally applied dc electric field has appreciable effect only when it is larger than the diffusion field.     

Diffusivity and conductivity of a primitive model electrolyte in a nanopore

Equilibrium and non-equilibrium molecular dynamics simulations are applied to obtain the diffusion coefficient and electric conductivity of ions in dilute electrolytes confined in neutral cylindrical pores. The electrolyte is described with the restricted primitive model and the wall of the pore is modelled as a soft wall. The equilibrium molecular dynamics simulations show that the axial diffusion coefficient of ions decreases with increasing confinement. For a fixed pore radius the diffusion coefficient decreases with increasing number density of the ions. The current response of the system to an applied electric field is maintained at constant temperature by Gaussian isokinetic equations of motion, and at constant concentration by periodic boundary conditions with recycling of ions in the axial direction. The electric conductivity is calculated from the current density and the electric field applied for different pore sizes. In contrast to the trend in diffusivity, conductivity increases slightly in smaller pores. For a very small pore, however, conductivity is lower than the bulk, because oppositely charged ions moving in opposite directions under the electric field cannot avoid collisions with each other in a narrow channel.     

Ab initio study of the linear and nonlinear optical responses in BiAlO3

The linear and non-linear optical properties of BiAlO₃ are studied by employing the density functional perturbation theory within the local density and generalized gradient approximations. The computations are based on the electronic structure obtained within density functional theory. The optical properties such as the dielectric function, refractive index, spectral reflectivity, absorption coefficient and electron energy-loss spectrum are obtained in the energy region of up to 30 eV. The calculated value of the birefringence for BiAlO₃ shows that it is a uniaxial negative crystal and has a large birefringence. We also report our studies on the second harmonic generation response coefficient over a large frequency range for BiAlO₃ crystal. The predicted second-order optical spectra indicate pronounced structures related to of 1ω and 2ω frequency resonances. Furthermore, the non-linear optic and linear electro-optic coefficients are computed by employing 2n + 1 theorem applied to an electric-field dependent energy functional. The results are compared with the available calculations.     

Quantum theory of light propagation in a fluctuating laser-active medium

The basic equations are derived which describe the propagation of an electromagnetic field in a fluctuating laser-active medium. The well-known methods of Langevinequations and master-equation for a few discrete modes are generalized to meet also the case of a radiation field with continuous spectrum. The medium is described by two-level atoms which are embedded in a merely passive solid matrix and homogeneously distributed over space. They have an inversion which is kept constant by an externally applied pump. The atomic line may be homogeneously or inhomogeneously broadened. We obtain a complete set of partial differential equations for the field operators with damping terms and fluctuating forces homogeneously distributed over the material. The telegraph equation with a fluctuating force occurs as a special case. After the exact elimination of the atomic variables we obtain a nonlinear field equation for the radiation field alone. By means of a pseudo-Hamiltonian and by a simple one-dimensional example we show that in a certain sense there exists a close formal analogy between the present theory and the theory of an interacting Bose gas. The characteristic differences between the two theories are also discussed. We find, that there occurs a phase transition of the radiation field because above a certain threshold of the pump the photons condense into a single mode and establish an “offdiagonal-long-range order”. The amplitude fluctuations and the phase fluctuations, which restore the broken phase symmetry, are calculated in detail. A new condition for the occurrence of undamped spiking (pulse formation) for a continuum of modes is derived.     

加偏置电场的双曲线量子阱中的光整流效应

用量子力学中密度矩阵算符理论导出了加偏置电场的双曲线量子阱中光整流系数的解析表达式.并以典型的GaAs双曲线量子阱为例进行了数值计算。研究结果表明,该势阱中的光整流系数与势阱的形状和偏置电场的强度有关。通过调节势阱参量a以及外加偏置电场,在该势阱中可获得一个大的光整流系数.     

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根据尘埃等离子体理论,考虑到尘埃粒子的充放电过程,研究了尘埃冰晶粒子吞噬效应对极区中层电子浓度分层结构及电导率和介电常数的影响。结果表明,尘埃冰晶粒子的吞噬效应造成了极区中层80~90km高度范围内电子浓度的分层结构,并进而导致这一区域尘埃等离子体电导率、介电常数沿高度出现明显的分层,为解释和研究极区中层夏季回波现象提供参考。     

A simple model of structural disorder in III–V quaternary alloys

A model is proposed describing the bond length and bond-bending angle distributions in quaternary A³B⁵ alloys with ZB structure in quasi-continuum approximation. The model allows to consider reasonably large crystal lattice clusters employing minimum computing resources. Analytical expressions are derived for the radial distribution functions. The developed approach is applied to the analysis of available experimental data on structural disorder in III–V alloys. Employing the valence force field Keating model the deformation energy for several alloys is evaluated.     

Dual Variational Form of the Model of Thermal Explosion in a Quiescent Medium with Temperature-Dependent Thermal Conductivity

Based on the dual variational formulation of the nonlinear stationary heat conduction problem, a mathematical model is constructed that describes the temperature state of a stationary medium in a volume of an arbitrary shape. The thermal conductivity of the medium and the volumetric energy release depend on the temperature. This model is applied to analyzing the conditions of thermal explosion in an infinitely long circular cylinder for exponential temperature dependences of the above parameters. In the particular case of constant thermal conductivity of this cylinder, a comparison with the published results is carried out.     

Dielectric constant of porous ultra low-k dielectrics by fractal-Monte Carlo simulations

The effective dielectric constant of porous ultra low-k dielectrics is simulated by applying the fractal geometry and Monte Carlo technique in this work. Based on the fractal character of pore size distribution in porous media, the probability models for pore diameter and for effective dielectric constant are derived. The proposed model for the effective dielectric constant is expressed as a function of the dielectric coefficient of base medium and the volume fractions of pores and base medium, fractal dimension for pores, the pore size, as well as random number. The Monte Carlo simulations combined with the fractal geometry are performed. The predictions by the present simulations are shown in good accord with the available experimental data. The proposed technique may have the potential in analyzing other properties such as electrical conductivity and thermal conductivity in porous ultra low-k dielectrics.     

Improving filtering and prediction of spatially extended turbulent systems with model errors through stochastic parameter estimation

The filtering and predictive skill for turbulent signals is often limited by the lack of information about the true dynamics of the system and by our inability to resolve the assumed dynamics with sufficiently high resolution using the current computing power. The standard approach is to use a simple yet rich family of constant parameters to account for model errors through parameterization. This approach can have significant skill by fitting the parameters to some statistical feature of the true signal; however in the context of real-time prediction, such a strategy performs poorly when intermittent transitions to instability occur. Alternatively, we need a set of dynamic parameters. One strategy for estimating parameters on the fly is a stochastic parameter estimation through partial observations of the true signal. In this paper, we extend our newly developed stochastic parameter estimation strategy, the Stochastic Parameterization Extended Kalman Filter (SPEKF), to filtering sparsely observed spatially extended turbulent systems which exhibit abrupt stability transition from time to time despite a stable average behavior. For our primary numerical example, we consider a turbulent system of externally forced barotropic Rossby waves with instability introduced through intermittent negative damping. We find high filtering skill of SPEKF applied to this toy model even in the case of very sparse observations (with only 15 out of the 105 grid points observed) and with unspecified external forcing and damping. Additive and multiplicative bias corrections are used to learn the unknown features of the true dynamics from observations. We also present a comprehensive study of predictive skill in the one-mode context including the robustness toward variation of stochastic parameters, imperfect initial conditions and finite ensemble effect. Furthermore, the proposed stochastic parameter estimation scheme applied to the same spatially extended Rossby wave system demonstrates high predictive skill, comparable with the skill of the perfect model for a duration of many eddy turnover times especially in the unstable regime.     

Algebraic structure of quantum fluctuations

On the basis of the existence of second and third moments of fluctuations, we prove a theorem about the Lie-algebraic structure of fluctuation operators. This result gives insight into the quantum character of fluctuations. We illustrate the presence of a Lie algebra of fluctuation operators in a model of the anharmonic crystal, and show the dependence of the Lie-algebra structure on the fine structure of the fluctuation operator algebra. The result is also applied to construct the normal Goldstone mode in the ideal Bose gas for Bose-Einstein condensation     

自混频激光理论模型及应用

建立了在同一块非线性激光晶体上实现自混频激光的理论模型。该模型计入了具有任意腰斑大小的泵浦光和腔内基频光的空间分布,并将该模型应用到NYAB和Nd:GdCOB的自混频蓝光实验。理论分析预测和证实了一些实验结果,同时,讨论和总结了提高自混频激光输出效率的途径。