金红石TiO_2中本征缺陷扩散性质的第一性原理计算

基于密度泛函理论的爬坡弹性带方法,对金红石相二氧化钛晶体中钛间隙、钛空位、氧间隙、氧空位4种本征缺陷的扩散特征进行了研究.对比4种本征缺陷在晶格内部沿不同扩散路径的过渡态势垒后发现,缺陷扩散过程呈现出明显的各向异性.其中,钛间隙和氧间隙沿[001]方向具有最小的扩散势垒路径,激活能分别为0.505 eV和0.859 eV;氧空位和钛空位的势垒最小的扩散路径分别沿[110]方向和[111]方向,激活能分别为0.735 eV和2.375 eV.     

Comparative study on transport properties of N-, P-, and As-doped SiC nanowires: Calculated based on first principles

According to the one-dimensional quantum state distribution, carrier scattering, and fixed range hopping model, the structural stability and electron transport properties of N-, P-, and As-doped SiC nanowires(N-SiCNWs, P-SiCNWs, and As-SiCNWs) are simulated by using the first principles calculations. The results show that the lattice structure of NSiCNWs is the most stable in the lattice structures of the above three kinds of doped SiCNWs. At room temperature,for unpassivated SiCNWs, the doping effect of P and As are better than that of N. After passivation, the conductivities of all doped SiCNWs increase by approximately two orders of magnitude. The N-SiCNW has the lowest conductivity. In addition, the N-, P-, As-doped SiCNWs before and after passivation have the same conductivity–temperature characteristics,that is, above room temperature, the conductivity values of the doped SiCNWs all increase with temperature increasing.These results contribute to the electronic application of nanodevices.     

矿物中药钟乳石的X射线衍射Fourier指纹图谱

研究矿物中药钟乳石X射线衍射Fourier指纹图谱.对10批主产地的钟乳石药材X射线衍射Fourier图谱进行分析,建立钟乳石X射线衍射Fourier指纹图谱,并通过相似度计算,区分钟乳石、其他含钙矿物中药、同种化学试剂CaCO3.主成分相同的矿物中药利用X射线衍射Fourier指纹图谱无法完全区分,但钟乳石与同种化学试剂CaCO3的X射线衍射Fourier图谱区别显著.利用X射线衍射Fourier指纹图谱可以很好的区分含有不同化学成分的矿物药,而对于主成分相同的矿物中药,就不能简单地利用它们的X射线衍射Fourier指纹图谱加以区分,即X射线衍射Fourier指纹图谱仅具有相对的专属性.     

Impact on the magnetic compressor due to CSR

When an electron bunch is compressed in a chicane compressor, the CSR (coherent synchrotron radiation) will induce energy redistribution along the bunch. Such energy redistribution will affect the longitudinal emittance as a direct consequence. It will also excite betatron oscillation due to the chromatic transfer functions, and hence a transverse emittance change. So, it is indispensable for us to find a way to alleviate the CSR-caused emittance dilution and the bad result of chicane compressor in PKU-FEL.     

一种有场旋转和集中功能的新型多功能电磁器件的设计与研究

基于变换光学理论设计了一种新型的多功能电磁器件—旋转集中器.它以特殊的方式引导电磁波使其传播方向在器件核心区发生指定角度的旋转,并同时实现电磁场能量向该核心区的集中.针对提出的三种等效的旋转集中器结构,分别推导了相应的本构参数表达式,并利用有限元软件对三种结构分别进行了全波仿真.仿真结果验证了本构参数表达式的正确性.这三种不同的结构中,前两种结构由三层介质构成,后一种简化为两层介质.对于给定的任意旋转角度和能量集中率,三种结构可以使电磁场发生等效的传播方向旋转和能量集中两种效果.这些结果有助于对旋转器和集中器机理的进一步理解,并为复合功能器件的设计奠定了更充分的理论基础.本文提出的旋转集中器在设计高效率接收天线和特殊电路封装互联器件等方面都有潜在的应用前景.     

单偏振控制器环形腔光纤激光器实验研究

理论分析了非线性偏振旋转环形腔作为类饱和可吸收体获得脉冲的物理机理。在光纤环形腔结构中,采用单个偏振控制器实现了非线性偏振旋转锁模,直接获得了脉冲宽度为131 fs的超短脉冲输出。实验中,采用性能稳定的976 nm半导体二极管激光器作为抽运源,使用高掺杂浓度的Er3 光纤为增益介质,通过调节偏振控制器,获得了光谱谱宽(3 dB带宽处)为23.5 nm的稳定锁模脉冲输出。脉冲中心波长为1535.9 nm,平均功率为5.91 mW,脉冲重复率为11.20 MHz。     

500—4250eV电子对CO2的散射全截面绝对测量

对中能电子与二氧化碳分子碰撞的散射全截面测量，给出５００－４２５０ｅＶ电子对ＣＯ２的绝对散射全截面。对测量结果作了曲线拟合，并与已有的实验和理论结果进行了比较     

Pogostone Enhances the Antibacterial Activity of Colistin against MCR-1-Positive Bacteria by Inhibiting the Biological Function of MCR-1

The emergence of the plasmid-mediated colistin resistance gene mcr-1 has resulted in the loss of available treatments for certain severe infections. Here we identified a potential inhibitor of MCR-1 for the treatment of infections caused by MCR-1-positive drug-resistant bacteria, especially MCR-1-positive carbapenem-resistant Enterobacteriaceae (CRE). A checkerboard minimum inhibitory concentration (MIC) test, a killing curve test, a growth curve test, bacterial live/dead assays, scanning electron microscope (SEM) analysis, cytotoxicity tests, molecular dynamics simulation analysis, and animal studies were used to confirm the in vivo/in vitro synergistic effects of pogostone and colistin. The results showed that pogostone could restore the bactericidal activity of colistin against all tested MCR-1-positive bacterial strains or MCR-1 mutant–positive bacterial strains (FIC < 0.5). Pogostone does not inhibit the expression of MCR-1. Rather, it inhibits the binding of MCR-1 to substrates by binding to amino acids in the active region of MCR-1, thus inhibiting the biological activity of MCR-1 and its mutants (such as MCR-3). An in vivo mouse systemic infection model, pogostone in combination with colistin resulted in 80.0% (the survival rates after monotherapy with colistin or pogostone alone were 33.3% and 40.0%) survival at 72 h after infection of MCR-1-positve Escherichia coli (E. coli) ZJ487 (blaNDM-1-carrying), and pogostone in combination with colistin led to one or more order of magnitude decreases in the bacterial burdens in the liver, spleen and kidney compared with pogostone or colistin alone. Our results confirm that pogostone is a potential inhibitor of MCR-1 for use in combination with polymyxin for the treatment of severe infections caused by MCR-1-positive Enterobacteriaceae.     

Pressure dependence of the thermal stability in LiMn2O4

Structural stability in terms of the decomposition temperature in LiMn₂O₄ was systematically investigated by a series of high-temperature and high-pressure experiments.LiMn₂O₄ was found to have structural stability up to 5 GPa at room temperature.Under ambient pressure,the compound decomposed at 1300℃.The decomposition temperature decreased with increasing pressure,yielding more complex decomposed products.Below the decomposition temperature,the crystal structure of LiMn₂O₄ varied with pressure.The presented results in this study offer new insights into the thermal and pressure stability of LiMn₂O₄ materials as a cathode for lithium-ion batteries that can operate under extreme conditions.Therefore,these findings may serve as a useful guide for future work for improving lithium-ion batteries.     

Study of a millimeter-wave squint indirect holographic algorithm suitable for imaging with large field-of-view

In this paper a millimeter-wave （MMW） squint indirect holographic method is presented, which is suitable for imaging with a large field-of-view. The proposed system employs the squint operation mode to remove the background and twin- image interferences, which achieves a similar effect to off-axis holography but leaves out the large-aperture quasi-optical component. The translational scanning manner enables a large field of view and ensures the image uniformity, which is difficult to realize in off-axis holography. In addition, a corresponding imaging algorithm for the presented scheme is developed to reconstruct the image from the recorded hologram. Some imaging results on typical objects, obtained with electromagnetic simulation, demonstrate good performance of the imaging scheme and validate the effectiveness of the image reconstruction algorithm.