Assignment of terahertz vibrational modes of L-glutamine using density functional theory within generalized-gradient approximation

The crystal structure of L-glutamine is stabilized by a three-dimensional network of intermolecular hydrogen bonds.We utilize plane-wave density functional theory lattice-dynamics calculations within the generalized-gradient approximation（GGA）, Perdew–Burke–Ernzerhof（PBE）, PBE for solids（PBEsol）, PBE with Wu–Cohen exchange（WC）, and dispersion-corrected PBE, to investigate the effect of these intermolecular contacts on the absorption spectra of glutamine in the terahertz frequency range. Among these calculations, the solid-state simulated results obtained using the WC method exhibit a good agreement with the measured absorption spectra, and the absorption features are assigned with the help of WC. This indicates that the vibrational modes of glutamine were related to the combination of intramolecular and intermolecular motions, the intramolecular modes were dominated by rocking or torsion involving functional groups; the intermolecular modes mainly result from the translational motions of individual molecules, and the rocking of the hydrogenbonded functional groups.

Range of applicability of real mode superposition approximation method for seismic response calculation of non-classically damped industrial buildings

An industrial building is a non-classically damped system due to the different damping properties of the primary structure and equipment.The objective of this paper is to quantify the range of applicability of the real model superposition approximation method to the seismic response calculation of industrial buildings.The analysis using lumped mass-and-shear spring models indicates that for the equipment-to-structure frequency ratiosγf>1.1 orγf<0.9,the non-classical damping effect is limited,and the real mode superposition approximation method provides accurate estimates.For 0.9<γf<1.1,the system may have a pair of closely spaced frequency modes,and the non-zero off-diagonal damping terms have a non-negligible effect on the damping ratios and mode shape vectors of these modes.For 0.9<γf<1.1 and the equipment-to-structure mass ratiosγm<0.07,the real mode superposition approximation method results in large errors,while the approximation method can provide an accurate estimation for 0.9<γf<1.1 andγm>0.07.Furthermore,extensive parametric analyses are conducted,where both steel structures and reinforced concrete structures with equipment with various damping ratios are considered.Finally,the finite element analysis of a five-story industrial building is adopted to validate the proposed range of applicability.

Mode-field half-widths of Gaussian approximation for the fundamental mode of two kinds of optical waveguides

This paper analyzes the characteristic of matching efficiency between the fundamental mode of two kinds of optical waveguides and its Gaussian approximate field.Then, it presents a new method where the mode-field half-width of Caussian approximation for the fundamental mode should be defined according to the maximal matching efficiency method. The relationship between the mode-field half-width of the Gaussian approximate field obtained from the maximal matching efficiency and normalized frequency is studied; furthermore, two formulas of mode-field half-widths as a function of normalized frequency are proposed.

Approximation law for discrete-time variable structure control systems

Two approximation laws of sliding mode for discrete-time variable structure control systems are proposed to overcome the limitations of the exponential approximation law and the variable rate approximation law. By applying the proposed approximation laws of sliding mode to discrete-time variable structure control systems, the stability of origin can be guaranteed, and the chattering along the switching surface caused by discrete-time variable structure control can be restrained effectively. In designing of approximation laws, the problem that the system control input is restricted is also considered, which is very important in practical systems. Finally a simulation example shows the effectiveness of the two approximation laws proposed.

Radial Basis Approximations Based BEMD for Enhancement of Non-Uniform Illumination Images

An image can be degraded due to many environmental factors like foggy or hazy weather,low light conditions,extra light conditions etc.Image captured under the poor light conditions is generally known as non-uniform illumination image.Non-uniform illumination hides some important information present in an image during the image capture Also,it degrades the visual quality of image which generates the need for enhancement of such images.Various techniques have been present in literature for the enhancement of such type of images.In this paper,a novel architecture has been proposed for enhancement of poor illumination images which uses radial basis approximations based BEMD(Bi-dimensional Empirical Mode Decomposition).The enhancement algorithm is applied on intensity and saturation components of image.Firstly,intensity component has been decomposed into various bi-dimensional intrinsic mode function and residue by using sifting algorithm.Secondly,some linear transformations techniques have been applied on various bidimensional intrinsic modes obtained and residue and further on joining the transformed modes with residue,enhanced intensity component is obtained.Saturation part of an image is then enhanced in accordance to the enhanced intensity component.Final enhanced image can be obtained by joining the hue,enhanced intensity and enhanced saturation parts of the given image.The proposed algorithm will not only give the visual pleasant image but maintains the naturalness of image also.

Solitons and intrinsic localized modes in a one-dimensional antiferromagnetic chain

By use of the Hartree approximation and the method of multiple scales, we investigate quantum solitons and intrinsic localized modes in a one-dimensional antiferromagnetic chain. It is shown that there exist solitons of two different quantum frequency bands： i.e., magnetic optical solitons and acoustic solitons. At the boundary of the Brillouin zone, these solitons becornc quantum intrinsic localized modes： their quantum eigenfrequencics are below the bottom of the harmonic optical frequency band and above the top of the harmonic acoustic frequency band.

Time-frequency analysis of Li solid-phase diffusion in spherical active particles under typical discharge modes

Li transient concentration distribution in spherical active material particles can affect the maximum power density and the safe operating regime of the electric vehicles(EVs). On one hand, the quasiexact/exact solution obtained in the time/frequency domain is time-consuming and just as a reference value for approximate solutions;on the other hand, calculation errors and application range of approximate solutions not only rely on approximate algorithms but also on discharge modes. For the purpose to track the transient dynamics for Li solid-phase diffusion in spherical active particles with a tolerable error range and for a wide applicable range, it is necessary to choose optimal approximate algorithms in terms of discharge modes and the nature of active material particles. In this study, approximation methods,such as diffusion length method, polynomial profile approximation method, Padé approximation method,pseudo steady state method, eigenfunction-based Galerkin collocation method, and separation of variables method for solving Li solid-phase diffusion in spherical active particles are compared from calculation fundamentals to algorithm implementation. Furthermore, these approximate solutions are quantitatively compared to the quasi-exact/exact solution in the time/frequency domain under typical discharge modes, i.e., start-up, slow-down, and speed-up. The results obtained from the viewpoint of time-frequency analysis offer a theoretical foundation on how to track Li transient concentration profile in spherical active particles with a high precision and for a wide application range. In turn, optimal solutions of Li solid diffusion equations for spherical active particles can improve the reliability in predicting safe operating regime and estimating maximum power for automotive batteries.

Study of the Discharge Mode in Micro-Hollow Cathode

In this study, micro-hollow cathode discharge （MHCD） is investigated by a fluid model with drift-diffusion approximation. The MHC device is a cathode/dielectric/anode sandwich structure with one hole of a diameter D=200 um. The gas is a Ne/Xe mixture at a pressure p=50-500 Torr. The evolutions of the discharge show that there are two different discharge modes. At larger pD the discharge plasma and high density excited species expand along the cathode surface and, a ringed discharge mode is formed. At smaller pD, the discharge plasma and the excited species expand along the axis of the cathode aperture to form a columnar discharge.

Modeling and Robust Backstepping Sliding Mode Control with Adaptive RBFNN for a Novel Coaxial Eight-rotor UAV

This paper focuses on the robust attitude control of a novel coaxial eight-rotor unmanned aerial vehicles (UAV) which has higher drive capability as well as greater robustness against disturbances than quad-rotor UAV. The dynamical and kinematical model for the coaxial eight-rotor UAV is developed, which has never been proposed before. A robust backstepping sliding mode controller (BSMC) with adaptive radial basis function neural network (RBFNN) is proposed to control the attitude of the eightrotor UAV in the presence of model uncertainties and external disturbances. The combinative method of backstepping control and sliding mode control has improved robustness and simplified design procedure benefiting from the advantages of both controllers. The adaptive RBFNN as the uncertainty observer can effectively estimate the lumped uncertainties without the knowledge of their bounds for the eight-rotor UAV. Additionally, the adaptive learning algorithm, which can learn the parameters of RBFNN online and compensate the approximation error, is derived using Lyapunov stability theorem. And then the uniformly ultimate stability of the eight-rotor system is proved. Finally, simulation results demonstrate the validity of the proposed robust control method adopted in the novel coaxial eight-rotor UAV in the case of model uncertainties and external disturbances. © 2014 Chinese Association of Automation.

Quantum Solitons and Localized Modes in a One-Dimensional Lattice Chain with Nonlinear Substrate Potential

In the classical lattice theory, solitons and localized modes can exist in many one-dimensional nonlinear lattice chains, however, in the quantum lattice theory, whether quantum solitons and localized modes can exist or not in the one-dimensional lattice chains is an interesting problem. By using the number state method and the Hartree approximation combined with the method of multiple scales, we investigate quantum solirons and localized modes in a one-dimensional lattice chain with the nonlinear substrate potential. It is shown that quantum solitons do exist in this nonlinear lattice chain, and at the boundary of the phonon Brillouin zone, quantum solitons become quantum localized modes, phonons are pinned to the lattice of the vicinity at the central position j = j0.

Studies on fluid model for numerical simulation of gas discharges in color plasma displays

The fluid models of gas discharge in alternating current plasma display panel (AC PDP) cell are discussed. From the Boltzmann equation, the hydrodynamic equations are derived, but this model consumes much computa- tional time for simulation. The drift-diffusion approximation model and the local field approximation model are ob- tained to simplify the numerical computation, and the approximation conditions of these two models are discussed in detail. The drift-diffusion approximation model gives more satisfactory result for PDP simulation, and the expression of energy balance equation is given completely in this model.

Quasinormal modes of the scalar field in five-dimensional Lovelock black hole spacetime

In this paper, using the third-order WKB approximation, we investigate the quasinormal frequencies of the scalar field in the background of a five-dimensional Lovelock black hole. We find that the ultraviolet correction to Einstein theory in the Lovelock theory makes the scalar field decay more slowly and oscillate more quickly, and the cosmological constant makes the scalar field decay more slowly and oscillate more slowly in the Lovelock black hole background.

Approximate analysis method for displacement responses of structures with active variable stiffness systems

The performance of structures with active variable stiffness (AVS) systems exhibits strong nonlinearity due to the variety with time of the stiffness of each storey unit,in which the AVS system is installed.Hence,the classical dynamic analysis method for linear structures,such as the mode-superposition method,is not applicable to structures with AVS systems.In this paper,an approximate analysis method is proposed for displacement responses of structures with AVS systems.Firstly,an equivalent relationship between single-degree-of-freedom (SDOF) structures equipped with AVS systems and so-called fictitious linear structures is established.Then,an approximate mode-superposition (AMS) method is presented for multi-degree-of-freedom (MDOF) structures equipped with AVS systems.The accuracy of this method is investigated through extensive parametrical study using different types of earthquake excitations,and some modification is made to the method. Numerical calculation results indicate that the modified AMS method is effective for estimating the maximum displacements relative to the ground and the maximum interstorey drifts of MDOF structures equipped with AVS systems.

Collective modes of Weyl fermions with repulsive S-wave interaction

We calculate the spin and density susceptibility ofWeyl fermions with repulsive S-wave interaction in ultracold gases.Weyl fermions have a linear dispersion,which is qualitatively different from the parabolic dispersion of conventional materials.We find that there are different collective modes for the different strengths of repulsive interaction by solving the poles equations of the susceptibility in the random-phase approximation.In the long-wavelength limit,the sound velocity and the energy gaps vary with the different strengths of the interaction in the zero sound mode and the gapped modes,respectively.The particle-hole continuum is obtained as well,where the imaginary part of the susceptibility is nonzero.

Collective modes of type-ⅡWeyl fermions with repulsive S-wave interaction

Three-dimensional type-ⅡWeyl fermions possess overtilted cone-like low-energy band dispersion.Unlike the closed ellipsoidal Fermi surface for type-ⅠWeyl fermions,the Fermi surface is an open hyperboloid for type-ⅡWeyl fermions.We evaluate the spin and density susceptibility of type-ⅡWeyl fermions with repulsive S-wave interaction by means of Green’s functions.We obtain the particle–hole continuum along the tilted momentum direction and perpendicular to the tilted momentum direction respectively.We find the zero sound mode in some repulsive interaction strengths by numerically solving the pole equations of the susceptibility within the random-phase approximation.

基于VMD-LILGWO-LSSVM短期风电功率预测

目的为了减小风电功率并入国家电网时产生的频率波动,提高风电功率预测精度,方法提出一种结合变分模态分解(VMD)、改进灰狼算法(LILGWO)和最小二乘支持向量机(LSSVM)的风电功率短期预测方法。首先通过VMD方法将风电功率序列分解重构成3个复杂程度性不同的模态分量,降低风电功率的波动性;其次使用LSSVM挖掘各分量的特征信息,对各分量分别进行预测,针对LSSVM模型中重要参数的选取对预测精度影响较大问题,引入LILGWO对参数进行寻优;最后将各分量预测结果叠加重构,得到最终预测风电功率。结果以宁夏回族自治区某地区风电站实际数据为例,对未来三天分别进行预测取平均值,本文方法的预测平均绝对误差(mean absolute error,MAE)为2.7068 kW,均方根误差(root mean square error,RMSE)为2.0211,拟合程度决定系数(R-Square,R^(2))为0.9769,与对比方法3~6相比,RMSE分别降低了40.93%,25.21%,14.7%,6.24%;MAE分别降低了42.34%,28.04%,16.97%,7.77%;R^(2)分别提升了4.21%,1.78%,0.82%,0.28%。预测时长方面,BP和LSSVM平均训练时间分别是10,138 s,虽然LSSVM预测时间较长但效果最好,采用PSO、GWO、LILGWO对LSSVM进行寻优后训练时间分别平均缩短了39,44,58 s。结论仿真验证了所提方法在短期风电功率预测方面的有效性。

基于模糊补偿的塔式起重机自适应模糊滑模控制

塔式起重机在工作时,负载会产生摆动,且系统具有欠驱动性、非线性和强耦合性的特征,定位与消摆控制难度大。大多数现有控制方法未考虑系统的摩擦项或者考虑系统摩擦项时由固定公式计算得出,而工程实际应用中摩擦项易受到工作环境的影响,引起控制效果的降低。为解决上述问题,提出了一种基于模糊补偿的自适应模糊滑模控制器。首先,通过对原有的系统动力学模型进行改造,构造出新的动力学模型,解决了系统由于欠驱动特性导致控制律难以设计的问题。随后采用模糊逼近的方式对系统的摩擦项进行逼近,解决了不确定性的工作环境对摩擦项的影响。其次在此基础上与滑模控制理论相结合设计控制器,并经严格的稳定性分析,证明了系统是渐进稳定的。最后,经仿真和实验结果验证了所提方法的有效性。

深海超低频WKB反转简正波模型

提出了一种基于抛物柱函数的深海超低频WKB反转简正波模型。采用比较方程法,选择形式解为抛物柱函数的映射方程,给出了典型深海声速剖面情况下简正波方程的抛物柱函数WKB近似解和近似条件。数值分析了Epstein声速剖面环境下简正波本征函数的全局近似误差,求解了Munk声速剖面环境下的简正波声场。结果表明,所提方法与经典WKB近似方法和Langer变换方法相比全局近似误差更小,并且可将海水层看成一个整体,适用于求解深海超低频声传播问题。

数值求解耦合Gross-Pitaevskii方程组基态解的离散归一化梯度流方法

本文提出了一种求解磁场项为常数的耦合Gross-Pitaevskii方程组基态解的数值方法.基于单组分近似理论,本文将方程组的能量函数等价为单组分的能量泛函,然后基于降阶后的能量表达式提出了离散归一化梯度流数值方法.数值算例表明,该方法高效且可靠.

带磁荷规则黑洞的有质量标量场似正规模

利用三阶WKB近似方法,探究了非线性电动力学中带有磁荷的规则黑洞的似正规模.分别讨论这类带有磁荷的规则黑洞中的Bardeen-class黑洞、Hayward-class黑洞和New-class黑洞,在有质量标量场扰动下的似正规模,分析标量场质量对似正规模频率的影响.结果表明,随着扰动标量场质量的增加,黑洞时空的振荡频率变快,但振荡的衰减速度则变慢,这说明似正规模在大质量场的粒子衰减较慢些.此外,研究发现,随着标量场质量的变化,似正规模频率的实部与虚部之间呈近乎线性的变化关系.