d2,8电子体系共价效应对光谱的影响

在含过渡金属离子的半磁半导体的光学和磁学性质研究中,由于体系的共价性较强,d轨道不再是纯d轨道,而是混合轨道t2g或eg。相应地,需要引入两个共价因子Nt和Ne。建立在混合轨道上的含有共价因子的能量矩阵称为广义能量矩阵。建立了d2,8电子体系的(45×45)阶广义能量矩阵。在广义能量矩阵中,拉卡(Racah)参量A不再是相加常量,同时,d8电子体系不能简单地视为互补的d2空穴体系,因为它们的能量矩阵形式不同。Nt和Ne虽然是属于两个不同轨道的不同的共价因子,但在数值上不能有大的差别,因为考虑进共价效应后,拉卡静电参量A对能级计算有极大的影响。这意味着在通常的光谱拟合中所采用的BCΔ方案是好的近似。以上结论被应用于ZnS∶Ni2 的d-d跃迁谱,计算结果与实验符合。     

New Approaches and Solutions of Nonlinear Force-Free Magnetic Field

Some new approaches for nonlinear force-free magnetic field are presented and new exact solutions are found analytically. Examples are given and some implications of results to astrophysical solar plasmas as well as tokamak or/and spheromak plasmas are discussed.PACS numbers: 52.30.Cv, 52.55.-s, 95.30.Qd     

Separation of Dihydro-Isocoumarins and Dihydro-Stilbenoids from Hydrangea macrophylla ssp. serrata by Use of Counter-Current Chromatography

Previously, different Hydrangea macrophylla ssp. serrata cultivars were investigated by untargeted LC-MS analysis. From this, a list of tentatively identified and unknown compounds that differ significantly between these cultivars was obtained. Due to the lack of reference compounds, especially for dihydro-isocoumarins, we aimed to isolate and structurally characterise these compounds from the cultivar ‘Yae-no-amacha’ using NMR and LC-MS methods. For purification and isolation, counter-current chromatography was used in combination with reversed-phase preparative HPLC as an orthogonal and enhanced purification workflow. Thirteen dihydro-isocoumarins in combination with other metabolites could be isolated and structurally identified. Particularly interesting was the clarification of dihydrostilbenoid glycosides, which were described for the first time in H. macrophylla ssp. serrata. These results will help us in further studies on the biological interpretation of our data.     

Mathematical Models for Unstable Quantum Systems and Gamow States

We review some results in the theory of non-relativistic quantum unstable systems. We account for the most important definitions of quantum resonances that we identify with unstable quantum systems. Then, we recall the properties and construction of Gamow states as vectors in some extensions of Hilbert spaces, called Rigged Hilbert Spaces. Gamow states account for the purely exponential decaying part of a resonance; the experimental exponential decay for long periods of time physically characterizes a resonance. We briefly discuss one of the most usual models for resonances: the Friedrichs model. Using an algebraic formalism for states and observables, we show that Gamow states cannot be pure states or mixtures from a standard view point. We discuss some additional properties of Gamow states, such as the possibility of obtaining mean values of certain observables on Gamow states. A modification of the time evolution law for the linear space spanned by Gamow shows that some non-commuting observables on this space become commuting for large values of time. We apply Gamow states for a possible explanation of the Loschmidt echo.     

硅烷化磁铁粉固定胰蛋白酶的研究

分别以硅烷化磁铁粉、硅烷磁化脱乙酰几丁质及脱乙酰几丁质作载体,甲醛或戊二醛为交联剂,对胰蛋白酶的固定化条件及所制备的固定化酶的性质进行了研究．研究了载体种类、交联剂和ｐＨ值以及载体与酶比例等因素对胰蛋白酶固定化的影响．研究了不同载体固定胰蛋白酶的特点,证明以硅烷化试剂和甲醛作交联剂的硅烷化磁铁粉作胰蛋白酶固定化的载体具有明显优点,所制备的硅烷化磁铁粉固定化胰蛋白酶酶学性质明显优于可溶性胰蛋白酶     

迭代法分析圆环类微带行波天线的辐射特性

利用圆环类微带行波天线的辐射功率与等效行波磁流衰减常数之间的自洽关系,导出了计算衰减常数的迭代方程;为加快迭代速度,将辐射积分中的格林函数展开成柱面波函数,得到快速收敛的级数和.最后给出了方向图的计算曲线,与实验结果对比吻合良好,表明此方法模拟圆环类微带行波天线辐射特性的有效性.     

用于长城等古建筑探测的NMR探测器的磁体设计

以万里长城为代表的古建筑是世界瑰宝,更是中华民族的象征和骄傲.本文提出利用便携式核磁共振（NMR）装置来探测研究这类古建筑的建筑材料,在不对其造成损伤的基础上,发掘其隐含的科学、技术和工程相关的丰富信息.为此,作为第一步,设计了适合于探测这类古建筑的便携式单边NMR探测器组合式磁体.该探测器的磁体结构以semi-Halbach为基础,通过不同磁体模块间的组合得到对应移动探测模式、长距离探测模式和均匀磁场探测模式的磁体结构.随后根据优化结果,设计加工了磁体组件,并采用该磁体进行了流体、长城城砖和现代红砖的NMR实验,实测结果与模拟一致.该组合式磁体的优点在于通过不同磁体模块组合,实现了多种探测方式,适用于探测长城等这类古建筑物需要多种探测模式的科学研究.     

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.     

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.