A method for calculating the absorption properties of triatomic gases

Formulas are proposed for the steam and carbon dioxide absorption coefficients, which are widely used in calculations of radiant heat transfer in industrial ovens and furnaces and containing empirical correction multipliers approximated over the beam length by logarithmic polynomials the coefficients of which are interpolated with respect to gas temperature. Generally, the error in the steam and carbon dioxide absorption capacities calculated using these formulas does not exceed 3%, which is quite acceptable in engineering calculations of radiant heat transfer. It is shown that the absorption capacity of a mixture of steam and carbon dioxide calculated using the exponential function of the total absorption coefficient does need correction for mutual absorption of beam energy by the components of medium.     

The influence of mistuned motor parameters on vector control performance and on line slip frequency correction strategy for induction machine operated under one‐pulse PWM mode

In high‐power, high‐speed traction drive systems, the traction motor usually operates under one‐pulse PWM (pulse width modulation) mode (square wave) during high‐speed operation. The constant output voltage in this condition makes the traditional vector control inoperative anymore. In this paper, a modified vector control strategy using open‐loop current control instead of closed‐loop current control is proposed. The modified control strategy is specially designed for an induction motor operating under one‐pulse PWM mode. As the field orientation is greatly affected by the deviation in the parameters, the influence of mistuned rotor time constant and mutual inductance (which are regarded as the most important parameters for field orientation) on the performance of modified vector control is studied comprehensively, including the influence on estimated angle and amplitude of rotor flux, d/q‐axis voltage, and output torque. Subsequently, based on the comparison between the different methods, a new slip frequency correction strategy is proposed to maintain proper field orientation for the modified vector control. The new correction strategy is based on the q‐axis current component error. It is independent of the motor parameters and can be easily realized through minor calculations. The simulation and experimental results show that the proposed slip frequency correction strategy can not only eliminate rotor flux angle error in steady state but also effect rapid torque response during the transient process under one‐pulse PWM mode. © 2014 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.     

On a simple and accurate quantum correction for Monte Carlo simulation

We investigate a quantum-correction method for Monte Carlo device simulation. The method consists of reproducing quantum mechanical density-gradient simulation by classical drift-diffusion simulation with modified effective oxide thickness and work function and using these modifications subsequently in Monte Carlo simulation. This approach is found to be highly accurate and can be used fully automatically in a technology computer-aided design (TCAD) workbench project. As an example, the methodology is applied to the Monte Carlo simulation of the on-current scaling in p- and n-type MOSFETs corresponding to a 65 nm node technology. In particular, it turns out that considering only the total threshold voltage shift still involves a significant difference to a Monte Carlo simulation based on the combined correction of oxide thickness and work function. Ultimately, this quantum correction permits to consider surface scattering as a combination of specular and diffusive scattering where the conservation of energy and parallel wave vector in the specular part takes stress-induced band structure modifications and hence the corresponding surface mobility changes on a physical basis into account.     

Efficient modeling techniques for atomistic-based electronic density calculations

This paper presents an effective combination of various modeling and numerical techniques for enabling fast large-scale first-principle electronic density calculations. A real-space mesh technique framework is used to discretized the DFT/Kohn-Sham equations in the entire 3D atomistic system, then a mode decomposition approach is proposed to reduce the size and the bandwidth of the obtained system matrix. The electron density is computed by performing the contour integration of the mode Green’s function along the complex energy plane using a O(N) diagonal banded system solver. Finally, we present and discuss the performance results of the proposed ab-initio atomistic-based electronic density calculations with application to Carbon nanotube (CNT).     

基于超级电容的储能模块自放电分析

低功耗自供电设备随着物联网技术的不断进步逐渐成为发展主流。基于超级电容搭建的储能模块可应用于低功耗自供电智能设备,但超级电容的自放电特性会导致存储能量的损失及端电压的下降,不利于低功耗自供电设备的功耗管理及测量。文中建立了所述储能模块的等效可变漏电阻模型,通过实验确定了等效模型中的相关参数并通过Matlab/Simulink数值仿真软件对该储能模块的自放电过程进行了分析。最后对仿真结果进行了分段线性化拟合以便于后续测试误差修正或数学计算,并使用拟合后的等效电路模型预测了自放电期间储能模块的电压变化。该电压变化值与实验所测结果吻合,验证了模型的有效性,为低功耗自供电设备的电源管理单元设计及功耗测量等奠定了基础。     

Density Functional Study of the Aluminum—Graphite Interface

Our group has previously performed a series of ab initio calculations to study the atomic structure, ideal work of adhesion, W_ad, and bond character of several aluminum—ceramic interfaces. Periodic interfaces were used where the thicknesses of both the Al and ceramic slabs were previously converged with respect to surface energy. Using a plane-wave density functional code with the local density and generalized gradient approximation, our past calculations find the W_ad is proportional to the surface energies of the mating materials, and the degree of polarity in the ceramic surface. Our calculations compare favorably with available experimental work of adhesion values of liquid Al on graphite, and Al on Al₂O₃. We investigated interfacial geometries after atomic relaxation, and interfacial bonding via plots of charge density, charge density difference, the electron localization function, and the projected density of states. In this paper we focus on our preliminary results for the aluminum—graphite interface.     

EMAP: An aid to understanding energy conversion device performance

There is an ongoing effort to effectively use the computer in the teaching of electromagnetic energy conversion. To that end, a computer program (Electric Machine Analysis Program, or EMAP), was developed to facilitate steady state and dynamic analysis of all common rotating machine performance. EMAP also analyzes magnetic core and transformer operation and provides a format for simple power factor correction calculations. Although the program is designed for educational purposes, it can be, and has been, used to solve practical engineering problems     

Ab initio Study of the Si Adsorption on Mo(110)

The energetics and the electronic structure of the Si/Mo(110) surface have been investigated using density functional theory calculations based on the generalized gradient approximation. The calculated potential energy surface for a single Si adatom reveals that a hollow site is favored for the adsorption of Si on Mo(110). The energy barrier for hopping between the hollow sites is located at the bridge site and is found to be 0.64 eV. The electron density plot indicates that four Mo-Si covalent bonds were formed around the Si atom at the hollow site. According to the surface formation energy for different Si coverage, 1 ML Si/Mo(110)–p(1× 1) is energetically favorable for a Si-rich environment. For the Si-poor case, the clean Mo(110) surface is the most stable structure.     

An efficient algorithm to calculate intrinsic thermoelectric parameters based on Landauer approach

The Landauer approach provides a conceptually simple way to calculate the intrinsic thermoelectric (TE) parameters of materials from the ballistic to the diffusive transport regime. The approach relies on the calculation of the number of propagating modes and the mean free path for each mode. The modes are calculated from the energy dispersion (E(k)) of the materials, which require heavy computation and are often restricted to energy relations on sparse momentum (k) grids. Here an efficient method to calculate the distribution of modes (DOM) from a given E(k) relationship is presented. The two main features of this algorithm are: (i) its ability to work on sparse dispersion data, and (ii) creation of an energy grid for the DOM that is almost independent of the dispersion data therefore allowing for efficient and fast calculation of TE parameters. The effect of K-grid sparsity on the compute time for DOM and on the sensitivity of the calculated TE results are provided. The algorithm calculates the TE parameters within 5% accuracy when the K-grid sparsity is increased up to 60% for all the dimensions (3D, 2D and 1D). The time taken for the DOM calculation is strongly influenced by the transverse K density (K perpendicular to transport direction) but is almost independent of the transport K density (along the transport direction). The DOM and TE results from the algorithm are bench-marked with, (i) analytical calculations for parabolic bands, and (ii) realistic electronic and phonon results for Bi₂Te₃.     

Electronic band structure for two-dimensional periodic lattice quantum configurations by the finite element method

A finite element method formulation is given for solving Schrodinger's wave equation for a single electron in a crystal lattice cell subject to a known periodic potential. The formulation has been implemented for a two-dimensional lattice, with an arbitrary potential profile, modelled by quadratic isoparametric elements, The FEM solver returns a specified number of electronic energy states, En, and nodal values of the complex wavefunctionψ_n Input data is generated by a standard FEM mesh generator. The postprocessing, given n, for reproducing a full 2-D E-k Brillouin diagram and given k, the electronic distribution, has been implemented. Tests on a 2-D generalized Kronig-Penney energy band model showed excellent agreement; between FEM results and analysis. The solver was further satisfactorily checked against published augmented plane wave calculations for a circular potential well within a square lattice. Specimen results are presented for the same circular well but with graded potential distributions and for a rectangular potential barrier set askew in a square lattice. Two-dimensional energy band solvers have application to superlattice nanostruc- tures, whilst a general, full 3-D FEM quantum solver seems feasible.     

基于源-荷协同的电网静态安全校正最优控制算法

为消除N-1事故情况下的线路过载和节点电压越限,提出了一种基于源-荷协同的电网静态安全校正最优控制算法。针对调整机组出力和切负荷两种静态安全校正措施,分析电网静态安全校正控制代价,在满足电网静态安全约束前提下,以系统整体控制代价最小为目标,建立电网静态安全校正控制模型。考虑可控负荷的离散特性,按切负荷代价由小到大的顺序形成切负荷控制策略表,并应用灵敏度指标从切负荷策略表中截取候选切负荷策略,分析各切负荷策略代价,协同静态安全校正控制模型,求解最小切负荷策略下发电机组出力的可行解。算例分析验证了离散的切负荷策略对应切负荷方案可行性强,避免负荷欠切和过切问题,源-荷协同静态安全校正控制能以最小控制代价有效消除N-1状态的节点过电压和线路过载。     

计及送受端新能源和负荷相关性高压直流功率修正方法

近年来,中国高压直流输电技术的快速发展,为中国跨区消纳新能源电力提供了有效手段。在研究新能源出力特性基础上,基于相关系数法研究了高压直流送端电网新能源和受端电网负荷之间的相关性,在保证直流联络线日交易电量不变的前提下,建立了直流有功功率修正量数学模型,考虑了直流功率调整的各种约束条件,提出计及送受端新能源和负荷相关性的高压直流功率修正方法,以促进新能源消纳并提高直流输电通道利用率。并基于某在运跨区高压直流送受端电网的实际调度运行数据开展算例分析,验证所提方法的有效性。     

Two-dimensional deghosting for EPI

A residual ghost artefact in echo-planar imaging (EPI) remains after the standard correction procedure based on a 1-dimensional phase-modulation of the spectra of even or odd echoes. A better reduction of this artefact is demonstrated using a 2-dimensional phase correction. The phase correction map is measured inside the ghost-free region of the image, preferably in a reference scan with an increased field of view, as the phase difference between complex images reconstructed separately from even and odd echoes. An extrapolated map consisting of spatial components up to the second order (constant,x, y, xy andx ²−y²) is then found by a fit to the measured values. This map is used to correct the phase of even- and odd-reconstructed images before adding them. This procedure may cause some spatially dependent loss of signal, but if the level of the residual artefact is less than 20% of the image intensity, such losses are negligible.     

正交滤波相量算法的故障暂态响应及校正方法

正交滤波相量算法在故障暂态过程中的响应与故障前电气量及故障初相角有关,输出结果不确定。为更快得到准确的故障后相量,利用正交滤波器的等效变换提出1种校正方法,以故障起始时刻为起点,仅利用故障后的采样值,随着不断扩展的数据窗,迅速将正交滤波相量算法输出校正到故障稳态结果,通过理论分析和数字仿真验证了该校正算法的有效性。所提出的校正算法适用于电流、电压、阻抗等电气量的计算,不受频率偏移和故障前电气量影响,相比于滑窗相量算法和两点乘积等短窗算法,性能有较大提高,且计算量增加不大。     

Application of Hopfield Neural Network for Harmonic Current Estimation and Shunt Compensation

Harmonics generated by nonlinear loads pollute the power system and affect the operation of equipment connected to it. Hence, harmonic mitigation is of prime concern to a power system engineer. Artificial Neural Network (ANN) is a nonlinear signal processing technique, which is built from interconnected elementary processors called neurons. In this article, a Hopfield Neural Network (HNN) based control algorithm for shunt compensator in a power distribution system is realized. The Hopfield network is modeled using energy minimization principle and consists of “n” interconnected neurons. The HNN is used to estimate different harmonic components present in distribution system operating with nonlinear loads. It also provides suitable control signals to the shunt compensator for compensation of various power quality issues such as power factor correction, load balancing, and harmonic reduction in the distribution system. Detailed experimental results are presented along with simulation studies on the prototype model developed in the laboratory and these results demonstrate the feasibility of the proposed method of control in DSTATCOM. The comparison of the HNN-based compensation technique with a popular and effective control algorithm based on Least Means Square (LMS) is also presented in this article.     

关于锅炉热效率测试结果之排烟温度修正方法的探讨

对TG-240/9.81-M进行了能效测试,由于运行条件与设计条件相差较大,分别依据GB10184-88和ASME PTC4.4-2008进行了排烟温度的修正,修正结果表明:由于两个标准对锅炉热平衡系统边界界定不同,导致用于修正的进口空气温度不一致;另外,对空气预热器进口空气温度进行修正比对给水温度进行修正更加全面、合理。     

三相三线静止式多功能电能表错误接线时退补电量算法研究

电能的准确计量关系到电力企业和广大电力用户的切身利益。如果电能计量装置接线错误,将会引起计量差错,甚至造成经济纠纷。在多数情况下,为了纠正计量差错,首先要确定更正系数,接着要核算退补电量。由于更正系数往往与功率因数角有关,因此可能是实时变化的,这样将给退补电量的核算带来误差或不便。文中以错误接线时三相三线静止式多功能电能表所计有功电量和无功电量为数据源,通过相量分析推导出了实际有功电量的计算公式,提高了退补电量核算的准确性与便捷性。     

含荷电状态修正和通信延迟的储能电站负荷频率鲁棒控制

针对储能电站参与调频时与传统机组的协调问题及通信延迟产生的影响,设计了一种含荷电状态(SOC)修正和通信延迟的储能电站负荷频率鲁棒控制方法.首先,在储能电站参与频率控制过程设计SOC回归修正环节与传统机组进行协调而实现SOC裕度调节,同时考虑协调过程存在通信延迟问题,建立含储能电站SOC回归修正的区域电网延迟系统模型.其次,考虑通信延迟对于系统控制性能的影响,在负荷频率控制系统延迟边际计算的基础上,设计储能电站负荷频率控制的系统鲁棒控制器,对可再生能源功率扰动进行抑制并实现系统频率的快速恢复与偏差调节.最后,基于MATLAB/Simulink平台对负荷频率控制系统进行仿真验证,结果证明了所提方法的有效性.     

基于准稳态灵敏度和校正成本最小化的过载线路 实时校正方法

对过载线路潮流进行实时安全校正,对提高电力系统的安全运行水平具有重要的意义。现有基于灵敏度的校正算法较少考虑发电机的校正成本,不能够保证校正方案的经济性,故提出了一种基于准稳态灵敏度和校正成本最小化的过载线路实时校正方法。首先,分析了发电量转移分布因子的不足及准稳态灵敏度的优势。接着,利用综合灵敏度反映节点注入功率对所有过载线路功率的综合影响,进而筛选出对消除线路过载最有效的控制发电机集合。最后,建立以校正经济成本最低及参与校正发电机数目最少为目标函数的优化模型,利用混合整数线性优化方法求解模型。得到的校正方案能够在消除线路过载的情况下保证发电机运行成本较低且参与校正发电机数量较少,实用性更强。用IEEE 39及IEEE 118节点系统进行仿真计算,结果表明算法的快速有效性。     

Ab initio calculations of the BaTiO3 (100) and (110) surfaces

We present and discuss the results of calculations of BaTiO₃ (100) surface relaxation and surface rumpling with two different terminations (BaO and TiO₂) and BaTiO₃ (110) surface relaxation with three different terminations (Ba, TiO and O). These are based on a hybrid B3PW exchange-correlation technique. The O-terminated A-type BaTiO₃ (110) surface has a surface energy close to that for the (100), which indicates that both (110) and (100) BaTiO₃ surfaces can exist simultaneously in perovskite ceramics.