Analysis,design and simulation of MIM plasmonic filters with different geometries for technical parameters improvement

In this paper, four optical filter topologies based on metal–insulator–metal waveguides are proposed and the designed structures are investigated numerically using finite-difference timedomain method. Triangular-shaped adjunctions have been added to the filter structures to improve their transmission spectrum. These improved structures consist of air as the insulator and silver as the metal. The relative permittivity of metal has been described via the Drude,Drude–Lorentz, and Palik models. The first filter's transmission spectrum shows an acceptable transmittance. In the second optimized filter, the transmission spectrum has been improved. The transmittance spectrum can be tuned through adjusting the edge of the triangle in these four optimized filters. As a result, the bandwidths of resonance spectra can be adjusted. The theory of such tapered structures will be investigated by the tapered transmission line and will be solved with the transfer matrix method. This method shows a better performance and higher transmission efficiency in comparison with the basic structures. On the other hand, the final filter has been chosen as the best one because of its hexagonal resonator. The main reason for having a better result is due to a longer interaction length in comparison with the circular resonator. This in turn creates much better energy coupling and results in higher transmission.     

基于改进格林元的压裂水平井动态分析方法

以建立高效的动态分析方法为出发点，以边单元作为求解点，改进传统的格林元方法，减少未知数和求解矩阵维度；并提出基于改进格林元的加密网格加密方法，保证考虑复杂裂缝网络的压裂水平井动态模拟的早期精度.退化模型与半解析解、数值模拟结果进行对比，验证本文基于加密网格的改进格林元方法的准确性和动态分析的高效性.最后进行动态响应的敏感性分析，结果表明：①格林元方法是一种高精度的动态模拟方法，将求解节点设置在网格的边上可以提高压裂水平井动态模拟的速度；②改进格林元方法的加密基于叠加原理，不需要通过插值近似，其求解精度高.在相同加密网格条件下，基于本文改进格林元方法的加密效果比有限差分加密效果更佳；③复杂裂缝导流能力、改造区渗透率提高倍数、改造区大小等参数对压裂水平井动态特征影响较大，在动态分析和参数反演时，应着重考虑这些因素的影响.     

第三族金属氧化物离子对二氧化碳转化的红外光谱研究

本文利用红外光解离光谱研究了第三族金属氧化物离子对二氧化碳分子的转化机制. 研究表明，对于[ScO(CO₂)_n]⁺体系，在n≤4时，形成了溶剂化结构；在n=5时，形成了碳酸盐结构，实现了二氧化碳的转化. 对于[YO(CO₂)_n]⁺体系，需要4个二氧化碳分子就可以实现二氧化碳的转化. 而在[YO(CO₂)_n]⁺体系中，只发现了溶剂化结构，没有观察到碳酸盐结构. 理论计算表明，[YO(CO₂)_n]⁺体系拥有最小的溶剂化结构向碳酸盐结构转化能垒，[LaO(CO₂)_n]⁺体系拥有最大的溶剂化结构向碳酸盐结构转化能垒. 本文从分子水平揭示了不同金属氧化物离子对二氧化碳分子转化的影响规律.     

On-chip multiphoton Greenberger–Horne–Zeilinger state based on integrated frequency combs

One of the most important multipartite entangled states, Greenberger–Horne–Zeilinger state (GHZ), serves as a fundamental resource for quantum foundation test, quantum communication and quantum computation. To increase the number of entangled particles, significant experimental efforts should been invested due to the complexity of optical setup and the difficulty in maintaining the coherence condition for high-fidelity GHZ state. Here, we propose an ultra-integrated scalable on-chip GHZ state generation scheme based on frequency combs. By designing several microrings pumped by different lasers, multiple partially overlapped quantum frequency combs are generated to supply as the basis for on-chip polarization-encoded GHZ state with each qubit occupying a certain spectral mode. Both even and odd numbers of GHZ states can be engineered with constant small number of integrated components and easily scaled up on the same chip by only adjusting one of the pump wavelengths. In addition, we give the on-chip design of projection measurement for characterizing GHZ states and show the reconfigurability of the state. Our proposal is rather simple and feasible within the existing fabrication technologies and we believe it will boost the development of multiphoton technologies.     

Statistics of polymer capture by a nanopore: A Brownian dynamics simulation study

We investigate the statistics of polymer capture by a nanopore using Brownian dynamics simulations. It is found that when the velocity flux is greater than a critical velocity flux, the capture picture is a random selection process, otherwise it tends to a statistical process governed by energetic considerations. In addition, the chain ends capture probability decreases as the chain length increases and satisfies a power-law scaling of P0(N)~N-0.8.     

Study of blood collection and sample preparation for analysis of vitamin D and its metabolites by liquid chromatography–tandem mass spectrometry

The analysis of vitamin D status, with special emphasis on 25-hydroxyvitamin D and 1,25-dihydroxyvitamin D, is gaining interest in clinical studies due to the classical and non-classical effects attributed to this prohormone. In this research, the influence of the two steps preceding determination (viz. sample collection and preparation) on the quantitative analysis of vitamin D and its more important metabolites has been studied. Two preparation approaches, deproteination and solid-phase extraction (SPE), have been evaluated in terms of sensitivity to delimit their application, thus establishing that detection of 1,25-dihydroxyvitamin D cannot be addressed by protein precipitation. Concerning sample collection, serum and plasma reported high accuracy (above 83.3%) for vitamin D and metabolites, while precision, expressed as relative standard deviation, was below 12.9% for all analytes in both samples. Statistical analysis revealed that serum and plasma provided similar physiological levels for vitamin D₃, 24,25-dihydroxyvitamin D₃ and 25-hydroxyvitamin D₃, while significantly different levels were obtained for 1,25-dihydroxyvitamin D₃, always higher in plasma than in serum. Sample collection and treatment have proved to be significant in the analysis of vitamin D and its relevant metabolites.     

A modern approach to the solution and analysis of the Simha-Somcynsky model for the description of pressure-volume-temperature properties of polymer fluids

We revisit the Simha-Somcynsky model of polymer fluids with the purpose of developing novel theoretical and computational approaches to simplify and speed up its solution as well as the fitting of experimental data, and decrease its level of mathematical complexity. We report a novel method that allows us to solve one of the two equations of the model exactly, thus putting the level of mathematical difficulty on a par with the one of other models for polymer fluids. Moreover, we describe a computational algorithm capable of fitting all five parameters of the model in an unbiased way. The results obtained reproduce literature results and fit experimental pressure-volume-temperature and solubility parameter data for three polymers very accurately. Moreover, the new techniques allow for the investigation of the model at very low temperatures. Unexpectedly, the model predicts behaviors that could be interpreted as a glass transition, as routinely observed in dilatometry and differential scanning calorimetry, and a glass phase. We compared the predicted and experimental T g’s for cis poly(1,4-butadiene) and found an excellent quantitative agreement.     

Asymptotic behavior toward nonlinear waves for radially symmetric solutions of the multi-dimensional Burgers equation

The present paper is concerned with the asymptotic behaviors of radially symmetric solutions for the multi-dimensional Burgers equation on the exterior domain in ${\mathbb{R}}^n,n\ge 3$, where the boundary and far field conditions are prescribed. We show that in some case where the corresponding 1-D Riemann problem for the non-viscous part admits a shock wave, the solution tends toward a linear superposition of stationary and rarefaction waves as time goes to infinity, and also show the decay rate estimates. Furthermore, we improve the results on the asymptotic stability of the stationary waves which are treated in the previous papers [2], [3]. Finally, for the case of $n=3$, we give the complete classification of the asymptotic behaviors, which includes even a linear superposition of stationary and viscous shock waves.     

Infinite family of transmission irregular trees of even order

Distance between two vertices is the number of edges in a shortest path connecting them in a connected graph $G$. The transmission of a vertex $v$ is the sum of distances from $v$ to all the other vertices of $G$. If transmissions of all vertices are mutually distinct, then $G$ is a transmission irregular graph. It is known that almost no graphs are transmission irregular. Infinite families of transmission irregular trees of odd order were presented in Alizadeh and Klav?ar (2018). The following problem was posed in Alizadeh and Klav?ar (2018): do there exist infinite families of transmission irregular trees of even order? In this article, such a family is constructed.     

Molecular dynamics of the intramolecular 1, 3-dipolar ene reaction of a nitrile oxide and an alkene: non-statistical behavior of a reaction involving a diradical intermediate*

ABSTRACT

Potential energy surfaces and molecular dynamics of the intramolecular 1, 3-dipolar cycloaddition and ene reaction of a nitrile oxide with an alkene were performed in the gas phase and in dichloromethane with density functional theory. One hundred trajectories were propagated in the gas phase and in dichloromethane, respectively. Twenty percent of the trajectories in the gas phase involve bicyclic intermediate and the mean time gap is 472fs. A dynamically stepwise reaction is observed. In dichloromethane, more reactive trajectories were obtained and the time gap is larger than that in the gas phase.