非晶氧化钛薄膜形成过程中钛离子能量对表面结构影响的机理

研究了非晶氧化钛薄膜沉积过程中入射钛离子能量对表面结构形成机理以及薄膜特性的影响.模拟结果表明,通过提高入射钛离子能量,可以有效降低成膜表面粗糙度,从而减小薄膜表面的光学散射损耗.研究发现,当入射离子能量提高后,薄膜生长模式从"岛"状生长过渡到了"层"状生长,且离子入射点附近的平均扩散系数也有显著增加,这有利于形成更加平整的高质量薄膜表面.     

紫外可见光谱的水产养殖水体有机物浓度快速检测研究

应用紫外可见（ultraviolet/visible,UV/Vis）光谱技术对表征水产养殖水体中有机物浓度的指标化学需氧量（chemical oxygen demand,COD）进行快速测量,对采集到的135份甲鱼养殖水样进行UV/Vis波段全光谱扫描,采用无信息变量消除（uninformative variable elimination,UVE）和连续投影算法（successive projections algorithm,SPA）相结合的变量选择算法选取全波段光谱中的特征波长,从201个UV/Vis光谱变量中选取了7个特征波长,只占全波段光谱变量的3.48%,降低了建模的时间和模型的复杂度。结合最小二乘支持向量机（least-square support vector machine,LS-SVM）算法进行COD预测建模,结果表明：使用特征波长建模的预测效果（相关系数r（correlation coefficient）=0.89,预测均方根误差（root mean square error of prediction,RMSEP）=15.46 mg·L-1）好于使用全波段光谱建模的预测效果（r=0.88,RMSEP = 15.71 mg·L-1）。使用UVE-SPA变量选择算法获取UV/Vis光谱特征波长,结合LS-SVM建模,可以快速、准确的测量水产养殖水体中的COD浓度,为进一步实现水产养殖水质的在线检测以及其他水质参数的快速测定奠定了基础。     

非等电子Sb替换Cu和Te后黄铜矿结构半导体Cu_3Ga_5Te_9的热电性能

热电材料是一类能够实现热与电相互转换的功能材料,在制冷和发电领域极具应用潜力.本文采用金属Sb元素非等电子替换Cu3Ga5Te9化学式中的Cu和Te,观察到材料Seebeck系数和电导率提升的现象.这些电学性能的改善与载流子浓度和有效质量的增大及迁移率基本维持不变有关.载流子浓度的提高是由于Sb原子占位在Te晶格位置后费米能级进入到价带所产生的空穴掺杂效应所致,同时也与Cu含量减少后铜空位(V-1Cu)浓度增大相关联.另外,非等电子替换后,阴离子(Te2-)移位导致了晶格结构缺陷参数u和η的改变,其改变量fiu和fiη与材料晶格热导率(κL)的变化密切相关.在766 K时,适量的Sb替换量使材料的最大热电优值(ZT)达到0.6,比Cu3Ga5Te9提高了近25%.因此,通过选择替换元素、被替换元素及替换量有效地调控了材料的电学及热学性能,在黄铜矿结构半导体中实现了非等电子元素替换改善热电性能的思想.     

不同算法原子电荷下的~1J_(CH)理论计算

用一种计算直接键连原子核自旋耦合常数的半经验公式,结合量子化学计算得到的32种有机分子稳定几何构型的7种不同算法下的原子电荷,探究原子电荷算法的不同对1JCH理论计算的影响,拟合出基于7种原子电荷的耦合常数计算公式,并利用拟合公式对5种分子进行了检验.计算结果表明拟合的32种分子及检验的5种分子的耦合常数的计算值均与实验值较好的符合,拟合得到的基于7种原子电荷的计算公式均可以对其他分子体系的耦合常数进行预测.另外,计算结果同样显示原子电荷算法的不同对1JCH理论计算值有一定的影响却不显著,其中基于电荷均衡方法电荷(QEq)得出的耦合常数计算值与实验值的偏差较其它6种原子电荷的小,结果更可靠.     

One-step synthesis of Fe3O4@C/reduced-graphite oxide nanocomposites for high-performance lithium ion batteries

In this paper, we propose a facile one-step strategy to prepare Fe₃O₄@amorphous carbon/reduced graphite oxide nanocomposites (FCRGs) under hydrothermal conditions. A transmission electron microscopy image has shown that the as-formed Fe₃O₄ nanoparticles coated with a layer of amorphous carbon are wrapped by reduced graphite oxide (r-GO) sheets. The diameter of Fe₃O₄ nanoparticles is less than 50 nm. N₂ adsorption/desorption isotherms indicate that the specific surface area of FCRG is 31.6 m²/g with porous structure. FCRG exhibits improved cycling stability and rate performances as a potential anode material for high-performance lithium ion batteries.     

Automated eigensystem realisation algorithm for operational modal analysis

The eigensystem realisation algorithm (ERA) is one of the most popular methods in civil engineering applications for estimating modal parameters. Three issues have been addressed in the paper: spurious mode elimination, estimating the energy relationship between different modes, and automatic analysis of the stabilisation diagram. On spurious mode elimination, a new criterion, modal similarity index (MSI) is proposed to measure the reliability of the modes obtained by ERA. On estimating the energy relationship between different modes, the mode energy level (MEL) was introduced to measure the energy contribution of each mode, which can be used to indicate the dominant mode. On automatic analysis of the stabilisation diagram, an automation of the mode selection process based on a hierarchical clustering algorithm was developed. An experimental example of the parameter estimation for the Chaotianmen bridge model in Chongqing, China, is presented to demonstrate the efficacy of the proposed method.     

A maximum-efficiency-first multi-path route selection strategy for optical burst switching networks

In this paper, the impact of a path selection on other existing paths in optical burst switching (OBS) networks is studied by analyzing the contention among different traffic streams and the interaction between the route selection and traffic load balance. The results show that there exists a mutual reinforcement interaction among the traffic load of a path, the path burst loss ratio and the contention ability of the path when burst loss ratio based multi-path selection strategies are adopted, which may increase the unbalance of traffic and lead to severe congestion further. A maximum-efficiency-first multi-path selection strategy, which considers the performance of the burst flows and the impact of a path selection on existing OBS paths at the same time by a combined metric of route efficiency, is proposed to maximize the utility of the burst flows and minimize the increment of lost throughput on the path. The performance of the proposed multi-path selection strategy is evaluated through simulation. The results show that the presented strategy obviously outperforms the least burst loss ratio strategy and shortest path first strategy in terms of the burst loss ratio in the practical unbalanced background traffic, especially when the network is heavily loaded.     

Luminescent properties of La2LiTaO6:Mn4+ and its application as red emission LEDs phosphor

A novel phosphor, Mn⁴⁺ doped La₂LiTaO₆, was developed by solid-state reaction method. The luminescent spectra and emission efficiencies of La₂LiTaO₆:Mn _x ⁴⁺ (x = 0.001, 0.003, 0.005 and 0.01) were discussed. The effects of co-doped charge compensation ions, M = Mg²⁺, Ca²⁺, Na⁺, were investigated, respectively. The excitation spectra indicated that La₂LiTaO₆:Mn⁴⁺ could be effectively excited by both NUV light and blue light. The emission spectra of the phosphor exhibit a broadband ranging from 670 to 720 nm with the maximum at about 709 nm in deep red region. The co-doping of Mg²⁺ could significantly improve the luminescent properties of La₂LiTaO₆:Mn⁴⁺. Thus, phosphor La₂LiTaO₆:Mn⁴⁺, Mg²⁺ can serve as a key component to improve color rendering of blue-chip white-LEDs.     

Production and Storage of Energy with One-Dimensional Semiconductor Nanostructures

This article outlines state-of-the-art energy technologies, including production and storage, available to us through semiconductor nanomaterials. The nanostructure growth processes have been illustrated in detail, with emphasis on the latest developments in hierarchical and radial-composition modulated nanostructures. On the energy efficiency and generation part, light-emitting diodes, photovoltaics, photoelectrochemistry, thermoelectric, and fuel cells have been discussed. In the energy storage part, supercapacitors and lithium batteries have been discussed.     

Effect of incommensurate potential on the resonant tunneling through Majorana bound states on the topological superconductor chains

We study the transport through the Kitaev chain with incommensurate potentials coupled to two normal leads by the numerical operator method. We find a quantized linear conductance of e ² / h, which is independent to the disorder strength and the gate voltage in a wide range, signaling the Majorana bound states. While the incommensurate potential suppresses the current at finite voltage bias, and then narrows the linear response regime of the I-V curve which exhibits two plateaus corresponding to the superconducting gap and the band edge, respectively. The linear conductance abruptly drops to zero as the disorder strength reaches the critical value 2g _s + 2Δ with Δ the p-wave pairing amplitude and g _s the hopping between neighbor sites, corresponding to the transition from the topological superconducting phase to the Anderson localized phase. Changing the gate voltage also causes an abrupt drop of the linear conductance by driving the chain into the topologically trivial superconducting phase, whose I-V curve exhibits an exponential shape.