酮缺陷对中性和带电六卟啉芳香性影响的直接可视化研究

利用含时密度泛函理论研究了酮缺陷对中性和带电六卟啉芳香性的影响,并使用多维可视化技术给出了该体系基态电荷分布和电子跃迁的直观图像. 研究结果表明,芳香性是决定这类体系基态密立根电荷分布的主要因素;酮缺陷效应使得体系基态的密立根电荷分布更多地局域在六卟啉基团上,在这类体系的五氟苯基取代基上密立根电荷布居较少,同时使得体系的芳香性发生改变. 进一步,通过计算体系的跃迁密度和电荷差分密度,可视化了酮缺陷对中性和带电六卟啉芳香性的影响. 结果表明,酮缺陷加强了体系电荷转移的能力.     

Hollow Gaussian beam generated by beam shaping with phase-only liquid crystal spatial light modulator

Based on the refractive beam shaping system, the transformation of a quasi-Gaussian beam into a dark hollow Gaussian beam by a phase-only liquid crystal spatial light modulator (LC-SLM) is proposed. According to the energy conservation and constant optical path principle, the phase distribution of the aspheric lens and the phase-only LC-SLM can modulate the wave-front properly to generate the hollow beam. The numerical simulation results indicate that, the dark hollow intensity distribution of the output shaped beam can be maintained well for a certain propagation distance during which the dark region will not decrease whereas the ideal hollow Gaussian beam will do. By designing the phase modulation profile, which loaded into the LC-SLM carefully, the experimental results indicate that the dark hollow intensity distribution of the output shaped beam can be maintained well even at a distance much more than 550 mm from the LC-SLM, which agree with the numerical simulation results.     

Parabolic Omori–Yau Maximum Principle for Mean Curvature Flow and Some Applications

We derive a parabolic version of Omori–Yau maximum principle for a proper mean curvature flow when the ambient space has lower bound on \(\ell \)-sectional curvature. We apply this to show that the image of Gauss map is preserved under a proper mean curvature flow in euclidean spaces with uniformly bounded second fundamental forms. This generalizes the result of Wang (Math Res Lett 10:287–299, 2003) for compact immersions. We also prove a Omori–Yau maximum principle for properly immersed self-shrinkers, which improves a result in Chen et al. (Ann Glob Anal Geom 46:259–279, 2014).     

Electronic properties and conductance suppression of defected and doped zigzag graphene nanoribbons

By using the first-principles calculation based on density functional theory, we investigate the electronic structures and transport properties of the defected and doped zigzag graphene nanoribbons (ZGNRs). The effects of multivacancies defects and impurities have been considered. The results show that band structures of ZGNRs can be tuned strongly and currents drop drastically due to the defect and impurities. Moreover, the notable suppression of conductance can be found near the Fermi level, leading to the negative differential resistance (NDR) behavior under low bias. This effect presents a possibility in novel nanoelectronics devices application.     

DFT study on electronic structure and optical properties of N-doped,S-doped,and N/S co-doped SrTiO3

The electronic structures and optical properties of N-doped, S-doped and N/S co-doped SrTiO₃ have been investigated on the basis of density functional theory (DFT) calculations. Through band structure calculation, the top of the valence band is made up of the O 2p states for the pure SrTiO₃. When N and S atoms were introduced into SrTiO₃ lattice at O site, the electronic structure analysis shows that the doping of N and S atoms could substantially lower the band gap of SrTiO₃ by the presence of an impurity state of N 2p on the upper edge of the valence band and S 2p states hybrid with O 2p states, respectively. When the N/S co-doped, the energy gap has further narrowing compared with only N or S doped SrTiO₃. The calculations of optical properties also indicate a high photo response for visible light for N/S co-doped SrTiO₃. Besides, we find a new impurity state which separates from the O 2p states could improve the photocatalytic efficiency and we also propose a model for light electron-hole transportation which can explain the experiment results well. All these conclusions are in agreement with the recent experimental results.     

Fluctuations in apparent mass at the bottom of granular columns due to different arrangements

We report the fluctuations in apparent mass at the bottom of granular columns due to various configurations. It is found that the fluctuations decrease with the increase in the ratio of diameters of silo to grain. For the arrangement of different grain layers in a column, the higher fluctuations appear when the larger grains are stacked at the bottom layer while reversing the order of grain-layers leads to smaller fluctuations. We attribute this behavior to the randomness in the direction of frictional forces between the grains and the confining wall. Moreover, due to polydisperse media, the development of inhomogeneous force transmission in grains may cause this to happen.     

Channel temperature determination of a multifinger AlGaN/GaN high electron mobility transistor using a micro-Raman technique

Self-heating in a multifinger AlGaN/GaN high electron mobility transistor (HEMT) is investigated by micro-Raman spectroscopy. The device temperature is probed on the die as a function of applied bias. The operating temperature of the AlGaN/GaN HEMT is estimated from the calibration curve of a passively heated AlGaN/GaN structure. A linear increase of junction temperature is observed when direct current dissipated power is increased. When the power dissipation is 12.75 W at a drain voltage of 15 V, a peak temperature of 69.1°C is observed at the gate edge on the drain side of the central finger. The position of the highest temperature corresponds to the high-field region at the gate edge.     

Effects of a carbon convection field on large diamond growth under high-pressure high-temperature conditions

Large diamond crystals were successfully synthesized by a FeNi-C system using the temperature gradient method under high-pressure high-temperature conditions. The assembly of the growth cell was improved and the growth process of diamond was investigated. Effects of the symmetry of the carbon convection field around the growing diamond crystal were investigated systematically by adjusting the position of the seed crystal in the melted catalyst/solvent. The results indicate that the morphologies and metal inclusion distributions of the synthetic diamond crystals vary obviously in both symmetric and non-symmetric carbon convection fields with temperature. Moreover, the finite element method was applied to analyze the carbon convection mode of the melted catalyst/solvent around the diamond crystal. This work is helpful for understanding the growth mechanism of diamond.     

飞秒BBO光参量放大中闲频光二次谐波的产生

由于相位匹配条件和非线性晶体透光范围的限制，400nm蓝光抽运的飞秒β-BaB₂O₄（BBO）光参量放大（OPA）输出的参量光调谐范围有限，很难得到波长小于460nm的蓝光和近紫外光.实验采用1kHz钛宝石九通啁啾脉冲放大器的倍频蓝光作抽运光，超连续白光 作种子光，在Ⅰ类非共线相位匹配条件下，利用宽带的飞秒BBO OPA，在一定的实验参数下 获得了530—810nm放大的信号光，以及810nm—17μm波段范围的闲频光.与此同时 ，还获得了410—700nm连续可调的闲频光的二次谐波，其与闲频光层叠分布，单脉冲能量 为26μJ，转换效率大于5%.仅利用单块晶体的飞秒BBO OPA就可以获得410—810nm连 续可调的飞秒脉冲输出，从而为更多研究和应用的需要提供了重要的光源.对飞秒光参量放 大中闲频光二次谐波产生的条件也进行了理论分析. 关键词： 二次谐波 闲频光 非共线相位匹配 飞秒光参量放大     

Infinitely many bound state solutions of Schrodinger-Poisson equations in $\mathbb{R}^3$

In this paper, we study a system of Schr\"odinger-Poisson equation \[ \left\{ \begin{array}{c} -\Delta u+a(x)u+K(x)\phi u=|u|^{p-2}u,\quad \quad \quad \ \ \ \ \ \ x\in \mathbb{R}^3, \-\Delta \phi=K(x)u^2,\quad \quad \quad \quad \quad \quad \quad \quad \quad \quad \quad \quad \quad \ x\in \mathbb{R}^3, \end{array} \right. \] where $p\in (4,6)$ and $ K\geq (\not\equiv) 0$. Under some suitable decay assumptions but without any symmetry property on $a$ and $K$, we obtain infinitely many solutions of this system.