二维荷电粒子维格纳晶格:边界效应

采用一种非线性的优化方法,研究了处于硬壁限制势下二维带电多粒子系统的基态,分析不同形状边界对系统基态构型的影响.由于圆形边界对称性高,基态结构和抛物限制势下情况相似.在正方形边界下,当系统粒子数N<66时,荷电粒子形成方形晶格;当N≥66时,由于边界影响被削弱,内层粒子形成六角维格纳晶格.进一步分析了椭圆和矩形边界对维格纳晶格的影响.     

A new proposal for PCRR-based channel drop filter using elliptical rings

In this paper using elliptical resonant ring we proposed a channel drop filter based on photonic crystal structures suitable for optical communication applications. The drop efficiency and the quality factor of our proposed filter is 100% and 647. We also investigated the optical properties of different configurations of the proposed photonic crystal ring resonator such as vertical ring, dual ring and triple ring structures. According to the results different configurations show different optical properties, so for vertical, double and triple ring configurations the quality factor will be 387, 865 and 1559, respectively.     

Theoretical demonstration of the hybrid focusing points of sonic crystal flat lenses and possible applications

We demonstrate the hybrid focusing points of sonic crystals for a multi-source array applied to flat sonic crystal lenses. The contributions of different point source couples form hybrid focusing points. Ray-trace analyses are conducted for acoustic flat lenses with multi-source configurations. The finite-difference time-domain (FDTD) simulation of flat lenses with multi-source configurations demonstrates the establishment of pure and hybrid focusing points in a pyramidal constellation. The number of focusing points in the pyramidal constellation depends on the number of point sources. We propose an acoustic device for fine-tuning the location of a far-field hybrid focusing point and discuss its benefits for acoustic energy focusing application.     

Equilibrium shapes of crystals attached to walls

We discuss equilibrium shapes of crystals attached to walls. Optimal shapes for different configurations of walls are found and the minimality of the overall surface tension is proven with the help of a simple geometrical argument based on the isoperimetric inequality and monotonicity. Stability results in the form of Bonnesen inequalities are obtained in the two-dimensional case.     

Nd:YVO4激光晶体Raman光谱的分析

根据商群对称性分析法对Nd :YVO4 晶体的Raman光谱做了理论计算和指认 ,运用实验的手段 ,根据谱线数目判定其合理性 ,同时断定晶体原胞中含有 4个Nd :YVO4 分子     

Peculiar transmission property of acoustic waves in a one-dimensional layered phononic crystal

In this article, we report both theoretical calculation and experimental observation of acoustic waves abnormally through a one-dimensional layered transmitted phononic crystal at frequencies within the band gap into a material of large acoustic impedance mismatch, with an efficiency as high as unity. The transmission peaks can be interpreted as a result of the interference of acoustic waves reflected from all periodically aligned interfaces. The condition for the appearance of peaks is analyzed in detail and the optimized layer number is given for different configurations.     

On the glide of [100] dislocation and the origin of ‘pencil glide’ in Mg2SiO4 olivine

ABSTRACT

Olivine with chemical composition (Mg,Fe)₂SiO₄ is a silicate which is supposed to strongly constrain the flow of the Earth’s upper mantle under thermal convection. Its mechanical properties are thus of primary importance. Slip systems in olivine involve two types of dislocations with [100] and [001] Burgers vectors. In this study, we report atomistic modelling of screw dislocations with [100] Burgers vector and their intrinsic properties. We show that the [100] screw dislocation core exhibits several configurations corresponding to spreading in different planes and different relative stabilities. At low pressure, we identify a clear tendency for core spreading in (010). At higher pressure, relevant for the Earth’s mantle, we show that pressure promotes a change in core configuration with spreading into equivalent {021} planes. Based on the systematic investigation of the minimum energy path between the different configurations, we show that the variability of core structures allows complex glide paths which has been described at the macroscopic level as ‘pencil glide’. Our results suggest that the pencil glide is more efficient at high pressure.     

Phase Transition in Dust Clusters with Different Charging Processes

Random charging processes effects on ground‐state configurations and phase transition of a finite system have been investigated in terms of Hamiltonian system. The particles interact through a screened Yukawa potential and are confined by a two‐dimensional parabolic potential. Numerical simulation was performed at low temperature for charging processes by particles collection and by photoemission. Results show that the charge fluctuation changes significantly the ground‐state configurations only in the case of the photoemission charging process and give rise to a change on the melting characteristics. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Momentum-space polarization fields in two-dimensional photonic-crystal slabs: Physics and applications

In addition to non-radiative guided modes, two-dimensional photonic-crystal slabs support guided resonant ones which can radiate into free space. From the polarization states of these guided resonances, a polarization field on a photonic band can be constructed in momentum space. Momentum-space polarization fields display complicated configurations and patterns with different types of polarization singularities inside, shedding new light on the manipulations of light flows. In this review, we summarize the recent research progress on momentum-space polarization fields and singularities in two-dimensional photonic-crystal slabs, focusing on their unique optical properties and potential applications as well.     

Numerical Analysis of Highly Birefringent Photonic Crystal Fibers with Bragg Reflectors

We analyze theoretically the coupling properties of Bragg gratings written in highly birefringent photonic crystal fibers with doped core and show how they can be tuned by the parameters of a microstructured fiber. We apply the coupled mode theory combined with a fully vectorial mode solver based on the plane-wave method. The results indicate large differences in interaction with the grating for the two linearly polarized fundamental modes. We show fiber designs, which provide single-mode operation with high birefringence and at the same time a high coupling efficiency of the grating. Such features can be used in fiber sensors, fiber laser configurations or to introduce a polarization dependent feedback in a long external cavity system with a semiconductor laser.     

BaWO_4晶体的拉曼光谱分析

BaWO4晶体是一种很有应用前景的喇曼激光晶体。本文根据对称性分类,用商群理论分析了Ba-WO4晶体的喇曼光谱。一个原胞中含有两个BaWO4分子,理论上有36个振动膜,和我们用群论计算得数目一致。其中有18支拉曼活性光学膜。我们测得了10支拉曼峰,并对测得的各个配置的拉曼峰进行了指认,其中X(ZZ)X配置921cm-1处的喇曼峰强度最强,线宽较窄,对于作为喇曼激光晶体来讲是很有益的。     

Droplet dynamics for asymmetric Ising model

Nucleation from a metastable state is studied for an anisotropic Ising model at very low temperatures. It turns out that the critical nucleus as well as configurations on a typical path to it differ from the Wulff shape of an equilibrium droplet.     

Shapes of growing droplets—A model of escape from a metastable phase

Nucleation from a metastable state is studied for an Ising ferromagnet with nearest and next nearest neighbor interaction and at very low temperatures. The typical escape path is shown to follow a sequence of configurations with a growing droplet of stable phase whose shape is determined by dynamical considerations and differs significantly from the equilibrium shape corresponding to the instantaneous volume.     

二维复式声子晶体中基元配置对声学能带结构的影响

研究了二维复式声子晶体中基元配置对其声学能带结构的影响,发现当声子晶体的基元配置改变时,声子晶体的不可约布里渊区也会改变,而且部分能带的极值不再在高对称线上.特别地,在某些基元配置下,不可约布里渊区扩大为整个第一布里渊区.因此,对于对称性较高的复式晶格声子晶体,可用通常的方法得到能带结构,而对于对称性较低的复式晶格结构声子晶体,只有采用对整个第一布里渊区进行研究的方法,才能获得可信的能带结构及带隙.     

基于原子晶体构型的高压固氩中的多体相互作用

X射线衍射实验显示固氩是面心立方(fcc)晶格结构,目前对晶体氩的研究只限于两体,三体以及四体相互作用势.本文利用多体展开方法和超分子单、双(三)重激发耦合簇理论(CCSD(T))对固氩fcc晶格结构的三体和四体的几何构型、几何参数、不同体积下所有三体和四体构型的势能以及各构型所占比例等几个方面进行了准确的量子化学计算.结果表明:所有三体构型中对总的三体势能贡献最大的是构型1、构型6、构型12和构型23;三体势及其交换部分和色散部分的计算结果与现有解析经验势在长程部分符合得非常好,但在短程部分有较小差异.所有的四体构形中对总的四体势能贡献最大的是构型1,构型2,构型4,构型5,构型7和构型8;四体势及其交换势部分和色散部分的计算结果尚无解析经验势可比较.利用这些特殊构型的相关数据并结合其它构型,可拟合出更准确的三体经验势函数及其参数,也为拟合四体经验势函数及其参数提供了重要的参考价值.     

基于原子晶体构型的高压固氩中的多体相互作用

X射线衍射实验显示固氩是面心立方(fcc)晶格结构,目前对晶体氩的研究只限于两体,三体以及四体相互作用势。本文利用多体展开方法和超分子单、双 (三)重激发耦合簇理论(CCSD(T))对固氩fcc晶格结构的三体和四体的几何构型、几何参数、不同体积下所有三体和四体构型的势能以及各构型所占比例等几个方面进行了准确的量子化学计算。结果表明:所有三体构型中对总的三体势能贡献最大的是构型1、构型6、构型12和构型23;对三体势及其交换部分和色散部分的计算结果与现有解析经验势在长程部分符合得非常好,但在短程部分有较小差异。所有的四体构形中对总的四体势能贡献最大的是构型1,构型2,构型4,构型5,构型7和构型8;对四体势及其交换势部分和色散部分的计算结果尚无解析经验势可比较。利用这些特殊构型的相关数据并结合其它构型,可拟合出更准确的三体经验势函数及其参数,也为拟合四体经验势函数及其参数提供了重要的参考价值。     

Nonlinear TM modes in cylindrical liquid crystal waveguide

We consider a nonlinear cylindrical fiber with a nematic liquid crystal (LC) core having initially the escaped configuration and subject to the action of a normal mode propagating electromagnetic field of arbitrary intensity. We derive a set of coupled equations governing the nonlinear dynamics of the electromagnetic field and the confined LC. We solve numerically these coupled equations and find simultaneously the distorted textures of the nematic inside the cylinder and the Transverse Magnetic modes in the guide. We analyze the dependence of these solutions on the electromagnetic field intensity by assuming consistently soft boundary conditions. We have found a dramatic correlation in the spatial distribution of the nematic's configuration and the Transverse Magnetic modes. Thus, the director adopts configurations completely guided by the specific mode involved. We show that the cut-off frequencies and dispersion relations can be tuned by varying the intensity of the electromagnetic propagating field.     

Ca3NbGa3Si2O14(CNGS)晶体的拉曼光谱分析

为了研究CNGS晶体的结构,构造了Ca3NbGa2SiO12和Ca3NbGaSi2O12两个团簇模型,对其构型进行优化并计算了振动频率.利用Raman光谱技术测量了该晶体的Raman光谱,依据理论计算结果对测得的Raman光谱进行了指认,讨论了CNGS晶体的层状结构和压电性能.     

六氮杂苯并菲及其衍生物电荷传输性质的理论研究

在B3LYP/6-31G^**理论水平对六氮杂苯并菲及其衍生物和苯并菲及其衍生物分子及分子离子进行结构优化和频率计算,得到稳定构型.在此基础上,计算二聚物的单电能随旋转角度的变化关系,得到能量最低点.根据电子转移的半经典模型研究这些化合物分子的电荷传输性质.计算结果表明,六氮杂苯并菲的正电荷传输速率最小,负电荷传输速率最大.巯基,羟基,烷氧基和氟基团的取代有利于正电荷传输,不利于负电荷传输.烷氧基的链长对电荷传输性质几乎无影响. 关键词： 六氮杂苯并菲 电荷传输 盘状液晶     

Dual-high-frequency from single-piezoelectric crystal for ACE degradation by hybrid advanced oxidation UV-sonochemistry process

This study investigates the combination of two waves emitted from a single-piezoelectric crystal by use of a dual-frequency generator in a sonochemical reactor. The dual-frequency configurations analyzed were the double-modulated fundamental frequency (376–376 kHz), resonant and second harmonic, termed 376D, 376R and 376H respectively. The effect of the phase shift (Φ) and the percentage of modulation between added waves were described by the total acoustic power distribution (P_t) measured inside the sonoreactor. Moreover, optimal angle alignment and modulation between dual-frequency waves for 376D, 376R and 376H cases were selected in order to evaluate the ultrasonic synergy by sonochemical reactivity in production of H₂O₂, in degradation rate of a model emerging pollutant ACE, and in the TOC and biodegradability evolution in the treated effluent. Phase shift and percentage of modulation had strong effect on the resulted waveform and on the sonochemical efficiency for all, harmonic and non-harmonic, dual-frequency combinations created. In the 376D case, the best reinforcement conditions are founded at 0° and 360°. In the 376H the maximum power distribution presents a 90° period. Shift phase does not determines any cyclic pattern in the total power distribution for the 376R case. The highest H₂O₂ production rate was observed for the 376H case followed for 376D and 376R configurations with 1.61, 1.12 and 0.58 μM/min by angle alignment in 105, 0 and 110° respectively. The highest initial degradation rate of ACE was observed for the 376D case followed for 376H and 376R with 0.56, 0.42 and 0.33 μM/min at 100% modulation. Reduced mineralization was observed in all dual-frequency configurations (8.54% for 376D and approximately 4.5% for 376R and 3756H modes). Contrasting results are observed regard to biodegradability ratio following the next sequence 376D < 376H≈376R with 0.9, 2.30 and 2.33 respectively. Relevant intensification in hydroxyl radicals production is observed by the UV-US system increasing up three folds the ACE removal and mineralization and two folds higher biodegradability of effluent in particular for 376R and 376H cases at optimal operation condition of dual-frequency signal.