On the electronegativity nonlocality paradox

The electronegativity equalization principle states that, in its ground state, the electronegativity of every component in a system is the same. A paradox then arises: molecular fragments that are very far apart must still have the same electronegativity, which seems to contradict the common assumption that spatially separated molecular species can be described independently. Density-functional theory provides the tools needed to analyze this paradox at a fundamental level, and a resolution is found from the properties of the exact Hohenberg–Kohn functional. Specifically, there is no paradox because the electronegativity is not uniquely defined for separated systems. Instead, there is an “apparent electronegativity” that preserves locality. This may have implications for the treatment of charge-transfer excited states. A model for the energy as a function of the number of electrons is also presented. This model gives some insight into the utility of the grand canonical ensemble formulation (at nonzero temperature) and, unlike most previous models, this model recovers the appropriate behavior in the limits of infinitely separated and/or weakly interacting subsystems.     

一种自适应前向均衡与判决均衡组合结构及变步长改进算法

信号在超长线缆传输中, 线缆的线间串扰及温度梯度变化造成噪声干扰, 特别是线缆介电损耗和肌肤效应的影响, 导致接收端信号频率色散失真严重, 难以恢复原始信号, 限制了传输速度. 另外, 在页岩气、煤层气等资源勘探领域, 在用长缆传输数据时, 还要求传输高精度同步脉冲信号, 用于采集数据相位的标定. 线缆的传输效应及噪声干扰严重影响了接收端的信号同步, 造成采集数据相位失真. 本文针对信号在长缆传输中的非线性失真及衰减问题, 提出了一种新型均衡结构, 并针对新模型给出了最优系数组合. 在此基础上针对改进的结构提出了一种基于反正切函数的变步长算法, 该算法配合三误差因子, 形成收敛函数, 该函数具有收敛速度快, 稳态误差小的优点. 改进后的自适应组合均衡器计算复杂度低, 收敛快, 信道跟踪能力强, 加快了数据处理速度, 同时能较好地应对信道的时变性. 仿真结果表明, 基于新变步长算法的自适应组合均衡器, 性能上提高了50%, 并且消除了噪声干扰和码间干扰, 测试实验表明, 在无中继超长缆(7 km以上)传输中, 信号速度提高了一倍.     

基于增强型模糊神经网络的盲均衡算法研究

提出一种利用增强型模糊神经网络进行盲均衡的新算法.增强型模糊神经网络具有很好的非线性逼近能力和映射能力,符合非线性通信技术处理的特点.给出增强型神经网络的结构和状态方程,提出代价函数,推导出均衡参数的迭代公式.仿真表明,本算法收敛后误码率减减小,收敛效果较好.     

用刚体元方法求空间极限平衡问题的上限解

刚体元方法是研究块体系的变形和运动的一种数值方法,可以用它来研究弹塑性物体的极限平衡问题,文中用通用的二维刚体元程序计算了正方形柱体顶面中心区域作用方形基础载荷情况的上限解,结果表明,这种方法较好的精度和广泛的适用性。     

分子ABEEM电荷分布的图形表示

利用Matlab软件编写程序, 将基于密度泛函理论和电负性均衡原理发展的原子-键电负性均衡方法σ-π模型(ABEEM σ-π)计算的电荷分布, 特别是键电荷和孤对电子的电荷分布, 用图形表现出来, 对分子的电荷分布给出直观形象的认识, 并以腺嘌呤、腺嘌呤脱氧核苷酸以及丙烯与氯化氢的马氏亲电加成反应为例, 进行应用说明.     

基于灰度聚类算法的红外图像增强研究

根据红外灰度图像的特点，提出了一种基于K-均值聚类的图像增强的新算法。该算法首先根据具体图像确定K值，其次对红外图像的辐射温度数据进行统计学习，把不同温度值按升序排列，然后按等差原则选取温度值作为初始聚类中心，再依据初始聚类中心采用K-均值聚类算法对温度进行聚类，最后由聚类结果对图像进行自适应增强。通过对红外灰度图像进行实验，得到了满意的结果: 对比直方图均衡，具有更丰富的图像细节信息和层次感，视觉效果更好。     

ABEEM方法预测响应函数

在密度泛函理论和原子-键电负性均衡模型基础上,定义了与化学键有关的响应函数以及化学键区域的Fukui函数,建立了一套快速确定分子中各区域(包括原子区域和化学键区域)响应函数的新方法.对大量分子的响应函数的计算结果表明,该方法得到的响应函数可以较好地预测分子中各点的反应活性,并更加快捷省时,展示了原子-键电负性均衡模型的广阔应用前景.     

Variational infrared image enhancement based on adaptive dual-threshold gradient field equalization

Infrared images are characterized by low signal to noise ratio (SNR) and fuzzy texture edges. This article introduces the variational infrared image enhancement algorithm based on gradient field equalization with adaptive dual thresholds. Firstly, we transform the image into gradient domain and get the gradient histogram. Then, we do the gradient histogram equalization. By setting adaptive dual thresholds to qualify the gradients, the image is prevented from over enhancement. The total variation (TV) model is adopted in the reconstruction of the enhanced image to suppress noise. It is shown from experimental results that the image edge details are significantly enhanced, and therefore the algorithm is qualified for enhancement of infrared images in different applications.     

基于Dual-Mode MMA+MDD 双模式T/2分数间隔盲均衡算法的研究

均衡技术是用来解决通信系统中码间干扰的常用方法.针对传统恒模算法的收敛速度和稳态剩余码间干扰大的缺点,将双模式多模算法和改进型判决引导算法结合起来,并且应用于分数间隔盲均衡器中.该算法初期用双模式算法收敛均衡器,然后切换到改进型判决引导算法中进一步收敛,由于分数间隔均衡器解决了波特间隔均衡器因抽样率不高带来的频谱混叠问题,从而进一步地提高了均衡效果.蒙特卡罗仿真表明,该算法不仅收敛速度快,而且得到较低的剩余码间干扰.     

Histogram equalization of vibration fringes in holography

Common reconstructed fringes in holographic interferometry of vibration show rapidly diminishing intensity with extended amplitude limiting the measurement range. Using computer-simulated fringe patterns, linear histogram equalization is applied to redistribute the intensity for significant enhancement in the higher amplitude range. The cases of time-average and real-time single-frequency sinusoidal vibration are described.