Molecular torus group

Generally speaking, the highest symmetry of M?bius cyclacene molecule possesses the C₂ symmetry based on the theory of point group according to the previous works. However, based on the topology principle, the fundamental group of M?buis strip is an infinite continuous cyclic group and its border is made up of twice of the generator. Of course, the M?bius strip-like molecule is associated with a finite discrete cyclic symmetry group. For the cyclacene isomers constructed by several (n) benzene rings, these isomers include: the common cylinder Hückel cyclacene (HC-[n]) molecules, the M?bius cyclacene (MC-[n]) molecules by twisting the linear precursor one time (180°), and the multi-twisted M?bius strip-like cyclacene (M ^m C?[n]) molecules by twisting the linear precursor m times (m × 180°). The relevant results suggest that in addition to the point symmetry, there is a new kind of symmetry called the torus screw rotation (denoted as TSR). In this article, we take the M ^m C?[n] molecules as examples to discuss their TSR group and point group symmetry, and the relative symmetry adaptive atom sets as well as their atomic orbital (AO) sets. Here, the Cartesian coordinates is not quite fit for the investigation of these AOs, so it is replaced by either the torus orthogonal curvilinear coordinates (for M ^m C?[n] molecule) or the cylinder orthogonal curvilinear coordinates (for HC-[n] molecule). According to the features of cyclic group, the character table of the irreducible representation of the TSR group could be constructed easily. Some other relevant point-group symmetries maybe also belong to the molecule, so its symmetry maybe called as the torus group symmetry. For multi-twisted M?bius strip-like molecule, there are some correlations in topology characteristics.     

Luminescence properties of Mn(2+)-doped Li2ZnGeO4 as an efficient green phosphor for field-emission displays with high color purity

Green emitting Li(2)ZnGeO(4):Mn(2+) phosphors were synthesized through a high temperature solid-state reaction process. X-Ray diffraction, field emission scanning electron microscopy, photoluminescence (PL) and cathodoluminescence (CL) spectra were utilized to characterize the synthesized samples. Under UV and electron-beam excitation, the pure Li(2)ZnGeO(4) sample shows a blue emission due to defects, while the Li(2)ZnGeO(4):Mn(2+) sample exhibits a green emission corresponding to the characteristic transition of Mn(2+) ((4)T(1)→(6)A(1)). In particular, the CL intensity (brightness) of Li(2)ZnGeO(4):Mn(2+) is higher than that of commercial green phosphor ZnO:Zn. In addition, the CL properties of Li(2)ZnGeO(4):Mn(2+) phosphor, the dependence of CL intensity on accelerating voltage and filament current, the decay behavior of CL intensity under electron bombardment, and the stability of CIE chromaticity coordinates, have been investigated in detail. The results indicate that the as-prepared Li(2)ZnGeO(4):Mn(2+) phosphor has a good CL intensity and CIE coordinate stability with green emission under low-voltage electron beam excitation. Therefore, Li(2)ZnGeO(4):Mn(2+) is a promising green phosphor for application in full-color field-emission displays.     

Shedding light on unusual photophysical properties of bis-cyclometalated iridium(iii) complexes containing 2,5-diaryl-1,3,4-oxadiazole-based and acetylacetonate ligands

A DFT/TDDFT investigation was conducted on a series of cyclometalated iridium(iii) complexes with 2,5-diaryl-1,3,4-oxadiazole (oxd(n)) derivatives to shed light on the effects of the stereoisomeric and steric factors on the photophysical properties. On the basis of the results reported herein, we attempt to explain the experimental observations according to which complexes N,N-trans [Ir(oxd(0))(2)(acac)] (1a) and N,N-trans [Ir(oxd(1))(2)(acac)] (2a) [with oxd(0) = 2,5-diphenyl-1,3,4-oxadiazole, oxd(1) = 2,5-bis(4-fluorophenyl)-1,3,4-oxadiazole and acac = acetylacetonate] show high quantum phosphorescence efficiencies (Φ(PL)) of 35 and 44%, while an extremely low Φ(PL) (<1%) was observed for a number of oxd(n) based complexes including N,N-cis [Ir(oxd(3))(2)(acac)] (4b) [with oxd(3) = 2-(4-fluorophenyl)-5-(2,4,6-triisopropylphenyl)-1,3,4-oxadiazole]. While new insights were gained on structural and electronic properties, the unusual photophysical properties recently reported for 4b were found to be not inherent to spin-orbit coupling (SOC) effects, but determined by both the S(1)-T(1) splitting energy (ΔE(S1-T1)) and the transition dipole moment (μ(S1)) upon the S(0)→ S(1) transition. Drastically large ΔE(S1-T1) and small μ(S1) for 4b (0.70 eV and 0.23 D, respectively) comparative to those for 2a (0.38 eV and 2.76 D, respectively) and 1a (0.58 eV and 2.44 D, respectively) were found to be tightly linked to the twisting degree of the oxd(n) ligand and to the trans-cis structural isomerism. On the basis of these parameters, the unusual physical properties of 4b were interpreted with respect to 1a and 2a, and the higher Φ(PL) of 2a with respect to that for 1a was explained.     

超短脉冲通过实际光学系统的时空特性分析

元件的像差和加工装配误差会影响通过其中的超短脉冲的时空特性。在不考虑介质的非线性作用时,基于傅里叶频谱理论并结合光线追迹和衍射理论,发展了一种有效的数值方法仿真超短脉冲通过光学系统的时空传输特性。以一个引入实际误差的2片式聚焦透镜组为例,分析了入射中心波长为800nm,脉冲宽度为30fs的高斯型超短脉冲通过该系统的传输过程,并通过实验测量了该系统在焦点处的脉冲时间宽度和焦斑大小,并与仿真结果进行了比对。结果表明,该方法不仅可以很好地仿真分析实际光学系统中超短脉冲的时空传输效应,也使得超短脉冲系统的优化设计成为可能,同时也为提出加工要求和合理的公差分配提供了指导意义。     

Observation of low‐wavenumber out‐of‐plane optical phonon in few‐layer graphene

Few‐layer graphene grown by chemical vapor deposition has been studied by Raman and ultrafast laser spectroscopy. A low‐wavenumber Raman peak of ~120 cm⁻¹ and a phonon‐induced oscillation in the kinetic curve of electron–phonon relaxation process have been observed, respectively. The Raman peak is assigned to the low‐wavenumber out‐of‐plane optical mode in the few‐layer graphene. The phonon band shows an asymmetric shape, a consequence of so‐called Breit‐Wigner‐Fano resonance, resulting from the coupling between the low‐wavenumber phonon and electron transitions. The obtained oscillation wavenumber from the kinetic curve is consistent with the detected low‐wavenumber phonon by Raman scattering. The origin of this oscillation is attributed to the generation of coherent phonons and their interactions with photoinduced electrons. Copyright © 2012 John Wiley & Sons, Ltd.     

Preference of online users and personalized recommendations

In a recent work [T. Zhou, Z. Kuscsik, J.-G. Liu, M. Medo, J.R. Wakeling, Y.-C. Zhang, Proc. Natl. Acad. Sci. 107 (2010) 4511], a personalized recommendation algorithm with high performance in both accuracy and diversity is proposed. This method is based on the hybridization of two single algorithms called probability spreading and heat conduction, which respectively are inclined to recommend popular and unpopular products. With a tunable parameter, an optimal balance between these two algorithms in system level is obtained. In this paper, we apply this hybrid method in individual level, namely each user has his/her own personalized hybrid parameter to adjust. Interestingly, we find that users are quite different in personalized hybrid parameters and the recommendation performance can be significantly improved if each user is assigned with his/her optimal personalized hybrid parameter. Furthermore, we find that users’ personalized parameters are negatively correlated with users’ degree but positively correlated with the average degree of the items collected by each user. With these understandings, we propose a strategy to assign users with suitable personalized parameters, which leads to a further improvement of the original hybrid method. Finally, our work highlights the importance of considering the heterogeneity of users in recommendation.     

极薄宽角度平面超材料吸波体仿真与实验验证

仿真和实验验证了厚度极薄的平面结构超材料吸波体, 该吸波体采用加载交指电容的耶路撒冷十字结构, 通过增加单元间的耦合电容显著降低了其工作频率. 测试结果表明, 该超材料吸波体在1.58 GHz, 吸收率峰值为88.48%, 其厚度为2 mm, 约为1/95工作波长, 吸波体的单元尺寸为11 mm, 约为1/17工作波长. 此外, 通过金属通孔将耶路撒冷十字结构与金属底板相连接, 使其对斜入射横电和横磁极化电磁波具有宽角度吸收特性, 在60°时依然具有较高的吸收率, 且吸收峰频率几乎不发生偏移, 从而使其更具实用价值. 关键词： 极薄 宽角度 超材料吸波体     

EXISTENCE OF THREE SOLUTIONS TO A CLASS OF QUASILINEAR ELLIPTIC SYSTEMS INVOLVING THE（p1（x）, · · ·, pn（x））-LAPLACIAN

In this paper, we investigate a class of Dirichlet quasilinear elliptic systems involving the(p1(x), ···, pn(x))-Laplacian. Based on the general three critical points theorem of B. Ricceri, we prove the existence of at least three weak solutions to the system.     

Global regularity for d-dimensional micropolar equations with fractional dissipation

This paper is devoted to the global in time existence of classical solutions to the d-Dimensional (dD) micropolar equations with fractional dissipation. Micropolar equations model a class of fluids with nonsymmetric stress tensor such as fluids consisting of particles suspended in a viscous medium. It remains unknown whether or not smooth solutions of the classical 3D micropolar equations can develop finite-time singularities. The purpose here is to explore the global regularity of solutions for dD micropolar equations under the smallest amount of dissipation. We establish the global regularity for two important fractional dissipation cases. Direct energy estimates are not sufficient to obtain the desired global a priori bounds in each case. To overcome the difficulties, we employ the Besov space techniques.