N8H8链状异构体结构与稳定性的理论研究

采用密度泛函理论(DFT), 在B3LYP/6-311＋＋G(d,p)基组上计算得到了21种N₈H₈链状异构体, 并研究了这些异构体间可能的互变异构情况. 为了得到更为精确的能量信息, 计算了QCISD(T)/6-311G(d,p)基组水平上各物质的能量. 所得的21种异构体分为4类(4种类型链状化合物): A为直链, B有一个支链, C有2个支链, D有3个支链; D类只有一种, A类稳定构型2种, B类稳定构型12种, C类稳定构型6种; 相对稳定的分别为: B2-1构型, B2-3构型和C23-2构型. 我们研究发现N₈H₈链状异构体中含有明显N＝N双键特征有利于化合物稳定性的提高.     

Stereochemistry of terpene derivatives. Part 5: Synthesis of chiral lactones fused to a carane system—insect feeding deterrents

Chiral iodo- 9, bromo- 10 and hydroxylactones 12 condensed with the carane system were obtained. In each case, the synthetic pathway led to an enantiomerically pure diastereoisomer to generate two stereogenic centers. Iodo- 9 and bromolactone 10 possess a γ-lactone group while the hydroxylactone 12 possesses a δ-lactone moiety situated trans to the gem-dimethylcyclopropyl ring. The structures of the products were confirmed by X-ray crystallography. These lactones were tested for antifeedant activity against storage pest insects.     

Quantum dot resonant tunneling FET on graphene

At this paper a field effect transistor based on graphene nanoribbon (GNR) is modeled. Like in most GNR-FETs the GNR is chosen to be semiconductor with a gap, through which the current passes at on state of the device. The regions at the two ends of GNR are highly n-type doped and play the role of metallic reservoirs so called source and drain contacts. Two dielectric layers are placed on top and bottom of the GNR and a metallic gate is located on its top above the channel region. At this paper it is assumed that the gate length is less than the channel length so that the two ends of the channel region are un-gated. As a result of this geometry, the two un-gated regions of channel act as quantum barriers between channel and the contacts. By applying gate voltage, discrete energy levels are generated in channel and resonant tunneling transport occurs via these levels. By solving the NEGF and 3D Poisson equations self consistently, we have obtained electron density, potential profile and current. The current variations with the gate voltage give rise to negative transconductance.     

Discrete fractional logistic map and its chaos

A discrete fractional logistic map is proposed in the left Caputo discrete delta’s sense. The new model holds discrete memory. The bifurcation diagrams are given and the chaotic behaviors are numerically illustrated.     

Hawking radiation of some black holes via the non-equilibrium Landauer transport model

Recently, Nation et al. confirmed that fluxes of Hawking radiation energy and entropy from a black hole can be regarded as a one-dimensional (1D) non-equilibrium Landauer transport process. Their work can be extended to background space-times with gauge potential. The result shows that the energy flux of charged particles, which is shown to be equal to the energy–momentum tensor flux, contains not only the contribution of thermal flux but also that of particle flux. It is found that the charge can also be transported by the 1D quantum channel. Moreover, the entropy production rate is also investigated, which is shown to be larger than the case without chemical potential.     

Adaptive Laser Aiming Through 2 km Horizontal Atmosphere with Precise-Delayed SPGD Algorithm

Journal of Russian Laser Research - Laser aiming is one of the key technologies of laser atmospheric transmission. The beam actually is affected by atmospheric turbulence and mechanical vibration;...     

Synthesis and characterization of CdS nanocrystals in Maleic anhydride–Octene-1–Vinylbutyl Ether terpolymer matrix

A Maleic anhydride–Octene-1–Vinylbutyl Ether terpolymer was synthesized via the radical terpolymerization method in order to prepare a new matrix for CdS nanocrystal synthesis. CdS nanocrystals were synthesized through the reaction of thiourea with cadmium chloride. The synthesized terpolymer/CdS nanocrystal composites were characterized by several methods. Energy Dispersive X-ray analysis, Raman spectroscopy and powder X-ray diffraction methods. The room temperature UV–visible absorption spectra show a shift of the absorption edge towards higher energies. The band gap of the CdS nanocomposite is bigger than that of bulk CdS. Raman spectrum exhibits characteristic peaks of CdS. Images of the nanocomposite obtained with Atomic Force Microscopy and Transmission Electron Microscopy are the evidences of CdS nanocrystal formation in the terpolymer. Thermal investigation shows that the nanocomposite is more thermostable than the terpolymer which could be useful for application in thermo aggressive medium.     

A variational proximal alternating linearized minimization in a given metric for limited-angle CT image reconstruction

Due to the restriction of computed tomography (CT) scanning environment, the acquired projection data may be incomplete for exact CT reconstruction. Though some convex optimization methods, such as total variation minimization based method, can be used for incomplete data reconstruction, the edge of reconstruction image may be partly distorted for limited-angle CT reconstruction. To promote the quality of reconstruction image for limited-angle CT imaging, in this paper, a nonconvex and nonsmooth optimization model was investigated. To solve the model, a variational proximal alternating linearized minimization (VPALM) method based on proximal mapping in a given metric was proposed. The proposed method can avoid computing the inverse of a huge system matrix thus can be used to deal with the larger-scale inverse problems. What’s more, we show that each bounded sequence generated by VPALM globally converges to a critical point based on the Kurdyka–Lojasiewicz property. Real data experiments are used to demonstrate the viability and effectiveness of VPALM method, and the results show that the proposed method outperforms two classical CT reconstruction methods.     

铝掺杂针铁矿的制备、表征及吸附氟的特性

水热条件下制备了针铁矿（Goe）和几种铝掺杂针铁矿（Goe-Al_0.1,Goe-Al_0.2和Goe-Al_0.4）,用X射线衍射（XRD）、扫描电镜（SEM）、氮气物理性吸附、酸碱滴定等手段对样品进行了表征,并研究了它们对氟离子的吸附特性。结果表明,随着铝掺杂量的增加,铝掺杂针铁矿的结晶度不断减弱、颗粒的长度不断减小。4种样品的微孔表面积、孔体积和表面分形度都表现为Goe < Goe-Al_0.1 < Goe-Al_0.2 < Goe-Al_0.4,而孔径分布表现为相反的顺序。Goe、Goe-Al_0.1、Goe-Al_0.2和Goe-Al_0.4的电荷零点（PZC）分别为8.2、8.3、8.5和8.7,pH=5.0时它们的表面电荷量分别为0.66、0.83、1.03和1.19 mmol·g^-1。准二级动力学模型适合描述4种样品对氟的吸附动力学过程,表明化学吸附是主要作用机制。一位Langmuir模型可较好的拟合等温吸附数据（R²为0.967~0.981）,二位Langmuir模型对等温吸附数据的拟合度更高（R²为0.982~0.995）,而Freundlich模型的拟合度较低（R²为0.877~0.912）。初始pH=5.0时,Goe、Goe-Al_0.1、Goe-Al_0.2和Goe-Al_0.4对氟的最大吸附容量分别为8.83、10.24、11.72和12.86 mg·g^-1。可见,铝掺杂针铁矿对土水环境中氟的吸附容量高于纯针铁矿。