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71.
ABSTRACTWe study the structural, energetic and electronic properties of the structured water chain clusters within the density functional theory. We refer the structured water chains to those water clusters that have specific geometric patterns stretched along one direction. External electric field required to keep the structures open chain, thereby preventing them to form closed structures, is applied along the length of the chain. The structures are essentially periodic with basic repeating unit consisting of the corner- or edge-sharing 4-, 5- or 6-membered ring water clusters. Our calculations underscore the possible existence of such structured water clusters in the electrostatic environments, which we simulate in its simplicity employing a dipolar, uniform and static electric field. Analysis reveals that the 5-membered ring water chain clusters, i.e. the pentamer chain clusters have the lowest average dipole moment per water molecule while the threshold field, that marks the onset of the field-induced closure of the HOMO (highest occupied molecular orbital)-LUMO (lowest unoccupied molecular orbital) energy gap, is highest, followed by that for the tetramer and hexamer chains. The results suggest that the pentamer chains are the most stable clusters over a wide range of electric fields. 相似文献
72.
《Physics letters. A》2020,384(13):126253
This letter is concerned with acoustic wave propagation and transmission in acoustic waveguides with periodically grafted detuned Helmholtz resonators. The interplay of local resonances and Bragg band gaps in such periodic systems is examined. It is shown that, when the resonant frequencies of the resonators are tuned close to a Bragg band gap, the behavior of the Bragg band gap can be affected dramatically. Particularly, by introducing appropriately tuned resonators, the bandwidth of a Bragg band gap can be reduced to zero, leading to a very narrow pass band with great wave attenuation performance near both band edges. The band formation mechanisms of such periodic waveguides are further examined, providing explicit formulae to locate the band edge frequencies of all the band gaps, as well as the conditions to achieve very narrow pass bands in such periodic waveguides. 相似文献
73.
74.
介绍了一种新型的具有双参量测量功能的光纤布喇格光栅传感器.该传感器采用了特殊的结构,安装了两个不同中心波长的光纤布喇格光栅,可以实现两曲面之间狭小间隙的微小位移和温度的同时测量.实验表明,该传感器结构紧凑、体积小,具有良好的重复性和稳定性,位移测量误差不超过±10 μm,温度测量误差不超过±2℃. 相似文献
75.
76.
The solar cell efficiency can be improved by antireflection gratings. In this paper, the antireflection gratings with different symmetrical surface profiles are investigated by numerical simulations based on the Rigorous Coupled-Wave Analysis. Simulated results show that the antireflection performance of sharp profile such as quadratic profile has a significant improvement compared with triangular and parabolic profiles, while the top cutoff in the grating tip will severely influence the antireflection performance. Meanwhile, proper length of flat region between grating features in the nonclose-packed triangular antireflection grating can have better antireflection performance than the close-packed counterpart for the same grating period and height. Such antireflection gratings with different surface profiles may offer attractive solutions to current commercial silicon solar cell, as well as organic and other semiconductor material based solar cells. 相似文献
77.
Ruan Wen 《原子与分子物理学报》2011,28(1)
采用密度泛函理论(DFT) B3LYP 在SDD基组水平上对AunCu(n =1-3)二元合金小团簇各种可能的构型进行几何优化,预测了各团簇的稳定结构. 并对基态结构进行了研究,计算了平均结合能、最高占据轨道能级和最低空轨道能级以及两者间的能隙.结果表明掺杂Cu原子后使得AunCu(n =1-3)团簇的化学性质更稳定. 相似文献
78.
基于光纤侧边抛磨技术的醋酸浓度光纤传感器 总被引:1,自引:0,他引:1
演示了两种利用光纤侧边抛磨技术制备的用于醋酸浓度检测的光纤传感器.其中一种光纤传感器采用轮式抛磨法对光纤光栅的光栅区包层进行侧边抛磨加工而成,将醋酸溶液覆盖于光纤光栅的抛磨区,利用侧边抛磨光纤光栅反射峰波长的变化对醋酸浓度进行测量;另一种光纤传感器采用轮式抛磨法对普通单模光纤包层进行侧边抛磨加工而成,将醋酸溶液覆盖于光纤抛磨区,利用抛磨光纤插入损耗的变化对醋酸浓度进行测量.两种光纤传感器的实验都表明:光纤包层抛磨表面与纤芯的距离越小,测量分辨率越高.剩余包层厚度为 0 μm 的侧边抛磨光纤光栅传感器测量醋酸溶液浓度分辨率为6.67%;剩余包层厚度为O.5μm 的侧边抛磨光纤传感器测量醋酸溶液浓度分辨率为0.55%. 相似文献
79.
Temperature or strain induced adjustable-chirp characteristics of uniform fibre grating with tapered metal coating 下载免费PDF全文
Temperature and strain characteristics of uniform fibre grating with
tapered metal coatings have been analysed theoretically, by which
adjustable chirp characteristics of such gratings are shown.
Electroplating is adopted to fabricate such gratings, and the tapered
metal coating is obtained by gradually drawing the fibre grating out
of the solution during the process of electroplating. The gradually
changing cross-sectional area of the metal coating is calculated by a
newly suggested numerical method. By combining the theoretical and
numerical simulation analyses, the gratings' characteristics are
given at various temperatures and strains. The results obtained using
such a method are also testified by experiments. 相似文献
80.
A status report on rapidly advancing femtosecond laser technology, three-dimensional (3D) microstructuring by multiphoton illumination technique, is given. Taking its origin from multiphoton microscopy, this technique is now becoming an important microfabrication tool. In our work we apply near-infrared Ti:sapphire femtosecond laser pulses (at 800/780 nm) for 3D material processing. When tightly focused into the volume of a photosensitive material (or photoresist), they initiate 2PP process by, for example, transferring liquid into the solid state. This allows the fabrication of any computer generated 3D structure by direct laser “recording” into the volume of photosensitive material. 2PP of photosensitive materials irradiated by femtosecond laser pulses is now considered as enabling technology for the fabrication of 3D photonic crystals and photonic crystal templates. In particular, 2PP allows one to introduce defects at any desired locations, which is crucial for the practical applications. Recently, we studied possible applications of 2PP technique in biomedicine. 2PP is a very interesting technique for the fabrication of drug delivery systems, scaffolds for tissue engineering, and medical implants. These and other biomedical applications of 2PP will be reviewed. 相似文献