FOX-7转晶行为的太赫兹光谱及理论计算研究

1, 1 -二氨基- 2, 2 -二硝基乙烯(FOX-7)是一款新型高能钝感炸药, 为了研究温度变化对其分子结构特性的影响, 利用太赫兹时域光谱技术对持续升温(298K→393 K)过程中FOX-7 在0.2—2.5 THz 频率范围内的吸收光谱进行了在线探测, 结果发现随着样品温度的升高, FOX-7 的吸收谱带发生变化, 于384 K 时出现一个新的吸收特征峰, 且该吸收峰的峰强逐渐升高. 基于密度泛函理论(DFT), 对样品在298 K 和393 K 温度下的晶体结构进行了小于2.5 THz 范围内吸收频谱的模拟计算, 完成了对FOX-7 两种晶型实验吸收特征峰的指认. 分析表明FOX-7 的分子结构会受温度的影响而发生改变, 互为异构晶型的基团表现出的振动模式不同, 温度384 K 时FOX-7 开始发生α→β 晶型转变, 且该晶型转变过程是可逆的, 新出现的1.12 THz 特征峰在393 K 时的振动是由—NO₂ 和—NH₂ 的摆动及各自的扭动所致.     

多峰场负氢离子源磁体布局对等离子体特性影响的数值模拟研究

负氢离子源的研究对于响应国家散裂中子源建设和国际热核聚变实验堆计划的开展都具有十分重要的意义. 由于离子源本身的物理特性导致数值模拟成为不可或缺的研究手段, 基于此, 首先对自主研发的全三维粒子模拟/蒙特卡罗碰撞算法进行阐述, 然后对负氢离子体积过程进行描述, 并在此基础上对中国原子能研究中心的多峰质子源进行了系统仿真, 在引出磁体极性相同和相反两种情形下, 分别对多峰质子源放电特性进行了讨论和分析. 结果显示: 在相反极性下, 两引出磁体附近的磁漂移方向相同且数值较大, 即磁漂移剧烈, 导致电子总数较大且高能电子在特定区域活跃, 进而负氢离子体积产率较高, 即负氢离子在空间呈现Y漂移; 反之, 在相同极性下, 电子约束效果相对较差且负氢离子体积产率较低, 但其空间分布均匀.     

Multifunctional manganese carbonate microspheres with superparamagnetic and fluorescent properties: synthesis and biological application

Multifunctional manganese carbonate microspheres with superparamagnetic and fluorescent properties were fabricated and used as biological labels. The Fe(3)O(4)@MnCO(3) microspheres were synthesized by direct co-precipitation without any linker shell. The Fe(3)O(4)@MnCO(3) microspheres have uniform size distribution and rough surface, which provides a promising template for the assembly of polyelectrolytes (PEs) and CdTe quantum dots (QDs). A luminescent CdTe shell was observed in Fe(3)O(4)@MnCO(3)@PE-CdTe spheres by confocal fluorescence imaging. With excellent solubility in water and rough surfaces, the multifunctional microsphere offers a friendly microenvironment for immobilization of α-fetoprotein (AFP) antibodies (Ab(2)) to fabricate Fe(3)O(4)@MnCO(3)@PE-CdTe-Ab(2) architecture. By using the Fe(3)O(4) @MnCO(3)@PEs-CdTe-Ab(2) bioconjugate as a label, a promising and versatile platform for fluorescence imaging and electrochemical immunosensing of cancer biomarker AFP was developed. The prepared electrochemical immunosensor shows high sensitivity and selectivity with a detection limit of 0.3 pg mL(-1).     

单室固体氧化物燃料电池阴极材料La0.75Sr0.25Cr0.5Mn0.5O3的电化学性能研究

采用高温固相法制备了La0.75Sr0.25Cr0.5Mn0.5O3(LSCM)并利用XRD,SEM以及电化学阻抗谱(EIS)分别对粉体及电极进行研究。结果发现LSCM在C3H8-O2-N2混合气氛下能够保持很好的高温化学稳定性,且与电解质材料YSZ在1400℃空气气氛下不发生化学反应。电化学测试结果表明,阳极支撑型单室固体氧化物燃料电池Ni-YSZ|YSZ|LSCM在700℃、C3H8-O2-N2混合气氛下的短路电流密度达317 mA·cm-2,最大功率密度73 mW·cm-2。将LSCM与CGO形成梯度阴极,相同测试条件下,单室电池的短路电流密度为560 mA·cm-2,功率密度达到110 mW·cm-2,电池输出性能提高约50%。     

Electrochemical preparation and magnetic properties of submicron Co x Pb1−x dendrites

Magnetic dendrites of Co _x Pb_1−x were fabricated through potentiostatic electrochemical deposition on Cu substrates in boric acid solution at room temperature. The as-deposited dendrites were determined by scanning electron microscopy (SEM), X-ray diffraction (XRD), transmission electron microscopy (TEM), electrodeposition (ED), and energy dispersive X-ray spectroscopy (EDS). SEM results indicate that the Co _x Pb_1−x dendrites are highly symmetrical in structures. The diameters of the branches are about 50 ~ 200 nm, and the backbones are continuous with lengths up to about 10 μm. XRD patterns show that the as-deposited dendrites are solid solutions. The annealing treatment can result in the recrystallization of these metastable alloys into two separate phases. TEM, ED, and EDS results also reveal that the backbones and the branches of the dendrites are composed of different amounts of cobalt. Magnetic measurements confirm that the as-deposited Co _x Pb_1−x dendrites have a softly ferromagnetic behavior, and a small coercive force (about 80 Oe). Also the saturation magnetizations of the Co _x Pb_1−x dendrites decrease rapidly with the temperature increasing.     

Variable selection in a class of single-index models

In this paper we discuss variable selection in a class of single-index models in which we do not assume the error term as additive. Following the idea of sufficient dimension reduction, we first propose a unified method to recover the direction, then reformulate it under the least square framework. Differing from many other existing results associated with nonparametric smoothing methods for density function, the bandwidth selection in our proposed kernel function essentially has no impact on its root-n consistency or asymptotic normality. To select the important predictors, we suggest using the adaptive lasso method which is computationally efficient. Under some regularity conditions, the adaptive lasso method enjoys the oracle property in a general class of single-index models. In addition, the resulting estimation is shown to be asymptotically normal, which enables us to construct a confidence region for the estimated direction. The asymptotic results are augmented through comprehensive simulations, and illustrated by an analysis of air pollution data.     

周期脉冲作用下Logistic映射的复杂动力学行为及其分岔分析

研究了两种周期脉冲作用下Logistic映射的复杂动力学行为. 随着参数的变化, 该系统产生平衡解、周期解、混沌等现象, 且该系统可经级联倍周期分岔到达混沌. 通过构造Poincaré 映射, 对周期脉冲作用下Logistic映射进行了分岔分析. 最后基于Floquet理论揭示了该系统周期解的分岔机理. 关键词： Logistic映射 脉冲 周期解 分岔机理     

超高精细度光学腔中低损耗的测量

关键词：     

火焰原子吸收法测定霞石中的氧化钾和氧化钠

本方法用于测定霞石中的钾、钠，主要通过在溶样时加入氢氟酸除去二氧化硅，调整溶液中钾、钠的含量，消除互相之间的干扰，加入氯化铯消除电离因素的干扰，提高了分析结果的准确性和重现性，使测定结果更接近化学分析值。回收率为99．2％-101．6％，总体标准偏差为0．04％。     

KNb_(1-x)Ti_xO_(3-δ)固溶体的合成与表征

利用高温高压法首次合成了KNb1 -xTixO3-δ(x =0～ 0 .4)系列固溶体 ,并使用X射线衍射、TG DTA、Raman谱和交流阻抗谱等对样品的结构、热稳定性和导电性进行了表征。XRD结果表明 ,随掺杂量的增加 ,晶胞体积减小 ;Ti掺杂引起了固溶体结构的转变 ,x <0 .1 5的样品为正交钙钛矿结构 ,而x≥ 0 .1 5的样品几乎为纯四方相结构。Raman谱和DTA结果显示 ,Ti掺杂使四方相区宽化 ,并且随掺杂量的增加 ,相变温度逐渐下降。阻抗谱测量表明 ,所有样品均以离子导电为主 ,其中KNb0 .85Ti0 .1 5O2 .92 5的氧离子导电率最高 ,在 80 0℃时达到 5 .6× 1 0 - 3S·cm- 1 ,在测量温度范围内 ,电导率可以拟合成两条直线 ,低温活化能小于高温活化能