Bäcklund transformation,rogue wave solutions and interaction phenomena for a $$\varvec{(3+1)}$$ ( 3 + 1 ) -dimensional B-type Kadomtsev–Petviashvili–Boussinesq equation

Nonlinear Dynamics - Under investigation in this paper is the $$(3+1)$$ -dimensional B-type Kadomtsev–Petviashvili–Boussinesq (BKP–Boussinesq) equation, which can display the...     

Local trimer orbital ordering in LiNiO2 studied by quantitative convergent beam electron diffraction technique

A local trimer orbital ordering model of LiNiO₂ was studied by means of theoretical calculation and experimental measurement of electron structure factors. Based on the trimer model, the electron structure factors were calculated by using the scattering factor of non-spherical Ni³⁺ ion. From these results, it is found that the effect of local orbital ordering on the electron structure factors of several subtle reflections, such as (202) and (107), is very large. The electron structure factors of these subtle reflections were measured by quantitative convergent beam electron diffraction method. The experimentally measured electron structure factor values of these reflections indicate that the trimer orbital ordering model is more close to the true structure of LiNiO₂.     

多波长级联拉曼光纤激光器的设计

基于稳态条件下描述光纤中受激拉曼散射效应的光功率耦合方程组,提出一种新的多波长级联拉曼光纤激光器的设计算法.结合遗传算法和打靶法的优点,采取对每一代种群中少数优良个体进行几次打靶,使得种群中目标函数最优化值附近的个体加速收敛.以500 m掺磷光纤为增益介质、光纤布拉格光栅构成谐振腔的三波长(1427 nm, 1455 nm, 1480 nm)级联拉曼光纤激光器为例,采用该算法计算了其输出特性.结果表明,总输出功率与抽运功率近似成线性关系,斜率效率约51%;由于谐振腔中三个输出波长相互之间的受激拉曼散射作用产生的能量转移,使得输出的长波长斯托克斯光斜率效率大于短波长斯托克斯光斜率效率.     

Atomistic simulations of mechanical properties of graphene nanoribbons

The mechanical behavior of graphene nanoribbons (GNRs) was investigated by molecular dynamics (MD) simulations. The simulation results showed that GNRs behave nonlinear elastically under tensile loads. When the strain exceeds 18%, the stress stiffening causes an increase in the Young's modulus. The width of a GNR has slight effects on the Young modulus and fracture strength. The maximum strain at which fracture occurs can reach 30.26% with an intrinsic strength of about 0.175 TPa. The excellent flexibility is attributed to the elongation of the CC bonds and the variations of the bond angles.     

Theoretical studies on the electronic and optical properties of arene‐ versus fluoroarene‐thiophene co‐oligomer

A series of regiochemically varied and core size extension‐modulated arene‐ and fluoroarene‐thiophene co‐oligomers and the unsubstituted sexithiophene α6T were investigated theoretically to explore their electronic and optical properties. These phenylene‐thiophene oligomers show great potential for application in organic light‐emitting diodes (OLEDs), organic diode lasers, and organic thin‐film transistors (OTFTs) because of their feasible tuning of optical and electronic properties by the various structural tunings. Density functional theory (DFT) and the ab initio HF were employed to investigate the geometric and electronic structures of the oligomers in the ground state, and the singles configuration interaction (CIS) methods were used to study the lowest singlet excited state. The lowest excitation energies (E_gs), the radiative lifetime τ, and the maximal absorption/emission wavelength of the oligomers were studied within time‐dependent DFT (TDDFT). All calculations were performed using the 6‐31G(d) basis set. The results show that the HOMOs, LUMOs, energy gaps, ionization potentials (IPs), electron affinities (EAs), and reorganization energies are significantly affected by the various structural tunings in these co‐oligomers, which is important for the improvement of the hole and electron injection into OLEDs. Interestingly, the LUMO energy of 1b , 2b , and 3b is lower than that of α6T and 1a , 2a , 3a by about 0.12 ～ 0.47 eV, indicating that the fluorophenyl‐substitution has significantly improved the electron injection properties of the oligomers. Copyright © 2008 John Wiley & Sons, Ltd.     

Manganese(III)-promoted reactions for formation of carbon–heteroatom bonds

Manganese(III) reagent is an important one- electron oxidant for initiation of free-radical reactions and formation of carbon–carbon bonds. The reactions are usually carried out under mild conditions, have high regio- and stereo-selectivities, and good functional group tolerance. Summarized in this article are the developments of manganese (III)-based reactions for the formation of carbon–heteroatom bonds including carbon–oxygen, carbon–phosphorus, carbon–sulfur, and carbon–nitrogen bonds, and their applications for the synthesis of related heterocyclic systems.     

A robust photometric calibration framework for projector-camera display system

A novel photometric calibration framework is presented for a projector-camera （ProCam） display system, which is currently under booming development. Firstly, a piecewise bilinear model and five 5-ary color coding images are used to construct the homography between the image planes of a projector and a camera. Secondly, a photometric model is proposed to describe the data flow of the ProCam display system for displaying color images on colored surface in a general way. An efficient self-calibration algorithm is correspondingly put forward to recover the model parameters. Aiming to adapt this algorithm to different types of ProCam display system robustly, a 3× 7 masking coupling matrix and a patches image with 1024 color samples are adopted to fit the complex channel interference function of the display system. Finally, the experimental results demonstrate the validity and superiority of this calibration algorithm for the ProCam display system.