Structured water chains in external electric fields

ABSTRACT

We 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.     

Interplay of local resonances and Bragg band gaps in acoustic waveguides with periodic detuned resonators

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.     

AunCu ( n =1-3)二元合金小团簇结构和稳定性的密度泛函研究

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.     

Three-dimensional photofabrication with femtosecond lasers for applications in photonics and biomedicine

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.     

强一致收敛下的初值敏感性与等度连续性

首先,举例指出了《Nonlinear Anglgsis》文中定理3.2的条件下并不能使函数序列的初值敏感性遗传至极限函数,并证明了若函数序列的敏感常数的上极限为某一正数,则在强一致收敛下,函数序列的极限函数也具有初值敏感性.其次,证明了在强一致收敛下,序列系统的等度连续性和一致几乎周期性能被极限系统所继承.     

一维等离子体光子晶体的带隙研究

采用时域有限差分方法(FDTD),结合等离子体计算中的分段线性电流密度卷积技术(PLJERC)对一维等离子体光子晶体(1D-PPC)进行了数值模拟,给出了微分高斯脉冲在一维等离子体光子晶体中的传播过程。计算得到的带隙结构与K-P模型方法的结果一致。计算并分析了等离子体频率、介质介电常数、等离子体-介质层的厚度比以及周期厚度对一维等离子体光子晶体带隙结构的影响。     

PID自动控温仪在变温霍耳效应研究中的应用简

应用计算机控制的PID控温仪研究了锑化铟样品的变温霍耳效应。通过在线控制并记录77K～300K温度范围内锑化铟样品的霍耳电压,估测了样品的禁带宽度。     

"广义芝诺悖论"的再探讨

在第25卷第5期的《大学物理》上,一篇文章对"广义芝诺悖论"进行了探讨,但他们分析的并不是"悖论"中的匀速率的理想运动,而且还存在推导错误.本文通过对"广义芝诺悖论"物理情境的分析,抽象建立起VPV模型,并由此得出:从运动学角度考虑,"广义芝诺悖论"正过程的初态和末态是"多对一"的关系,"广义芝诺悖论"并不为悖论.     

多碱阴极光电发射机理研究

通过比较有Cs-Sb表面层多碱阴极和未有Cs-Sb表面层多碱阴极的荧光谱,发现有Cs-Sb表面层多碱阴极的荧光谱峰值波长向短波方向“蓝移”以及荧光峰增强的现象.这一现象表明在多碱阴极Na2KSb基层上制作Cs-Sb表面层之后,不仅多碱阴极的逸出功降低,而且 Na2KSb基层的结构也发生了变化.这意味着在相同功率和相同频率入射光照射下,经过表面Cs-Sb处理的Na2KSb基层能够产生更多的跃迁电子并且跃迁能级更高,逸出表面的机率更大,获得的阴极灵敏度更高.这表明Cs-Sb表面层既具有表面效应,又具有体效应.要进一步提高多碱阴极的灵敏度,除进一步降低多碱阴极的逸出功外,还需进一步提高Na2KSb基层的性能,使相同功率和频率的入射光能产生更多的跃迁电子,并且跃迁的能级更高,这就需要进一步改进工艺,提高Na2KSb材料的性能.