Schrödinger方程的连续时空有限元方法

本文讨论Schr?dinger方程的连续时空有限元方法,通过引入相应的时空投影算子,利用实部虚部分离技巧,得到了变量u在时间节点处的L²范数,以及u和u_t的全局L²(H¹)和L²(L²)范数意义下的最优误差估计结果.该文的结论对进一步探索和设计Schr?dinger方程的数值算法是有益的.     

“PPAS” X-RAY ABSORPTION SPECTROSCOPY IN LASER-PRODUCED ALUMINUM PLASMA

We have developed and successfully demonstrated the "point projection absorption spectroscopy (hereafter abbreviated to PPAS)" technique to record keV X-ray absorption spectra in the coronal region of laser produced aluminum plasma which provides spatial information in the corona. Absorption spectrum of the Al Ⅻ 1s²-1s2p resonant line for time delays up to 250, 500 and 750 ps after the peak of the incident laser pulse have been observed. Analysis of an absorption spectrum should allow a high spatial resolution (< 25μm) history of the absorbing ion population density to be determined. The 1-D hydro-code JB19 has been used to simulate the experiment and the predictions are compared to the observations. Such comparison can be useful in validating parts of the codes used for gain prediction on recombination X-ray laser transitions.     

DFT study of the conductance of molecular wire:The effect of coupling geometry and intermolecular interaction on the transport properties

The density functional theory (DFT) combining with the non-equilibrium Green functions (NEGF) method is applied to the study of the electronic transport properties for a Di-thiol-benzene (DTB) molecule coupled to two Au(111) surfaces. The dependence of the transport properties on the bias, the coupling geometry of the molecule-electrode interface, and the intermolecular interaction are examined in detail. The results show that the existence of the hydrogen atom at the end of the DTB molecule would significantly decrease the transmission coefficients, and then the differential conductance (dI/dV). By changing the position of the DTB molecule located between two electrodes a maximum value of calculated current is observed. It is also found that the intermolecular interaction will strongly influence the transport properties of the system studied.     

Density Functional Theory Study on the Adsorption of Dioxygen on Small Pt-Pd Clusters

1 INTRODUCTION The bimetallic nanoclusters are of standing inte- rest since they can exhibit catalytic, electronic and optical properties distinct from those of corre- sponding pure nanoclusters[1～4]. Palladium and pla- tinum, well known for their catalytic properties, are often used as the catalyst in different fuel cells[5～8]. Several experimental results illustrate that for the oxygen reduction reaction (ORR), which is one of the primary reactions taking place in many fuel cells and…     

一锅法制备全乙酰吡喃溴代糖

将未保护的吡喃糖与醋酸酐在分子碘的催化下制得全乙酰吡喃糖 ,随后不经分离直接与溴化氢的冰醋酸溶液( 4 5 %)反应得到全乙酰吡喃溴代糖 .这种一锅法制备全乙酰吡喃溴代糖操作方便 ,收率高 ,经济实用且对环境友好     

高效液相色谱法测定兔肉中氯羟吡啶

球虫病是畜禽业养殖过程中的重要疾病之一,不有效地加以控制会给广大养殖户造成很大的经济损失。氯羟吡啶由于其较强的抗球虫病作用而在畜禽养殖业中得到广泛应用。但是,长期使用或不按规定用药会造成氯羟吡啶在动物体内和组织中残留,对环境及公众健康构成严重的潜在危害。现在,欧盟、美国等发达国家及中国、中国台湾都规定了各种动物组织中氯羟吡啶残留最高限量标准。组织中氯羟吡啶的检测方法主要采用气相色谱法(GC)[1]、高效液相色谱法(HPLC)[2]和气相色谱-质谱联用法(GC-MS)[3]等。HPLC具有简便快速、灵敏的特点,成为分析组织中氯…     

Yb(C~6Me~6) (AlCl~4)~3·MeC~6H~5 的合成及其晶体结构

合成了一种新的芳烃络合物Yb(C~6Me~6)(AlCl~4)~3·MeC~6H~5 , 并确定了其晶体结构.     

热解-还原法制备单分散Fe3O4亚微空心球

在用模板法水解FeCl3制备单分散聚(苯乙烯-共-丙烯酸)/Fe2O3[P(St-co-AA)/Fe2O3]核壳粒子的基础上, 于N2环境下热解内核直接得到了单分散的磁性Fe3O4亚微空心球. 用透射电镜(TEM)、场发射扫描电镜(FESEM)、X射线衍射(XRD)、振动样品磁强计(VSM)表征并测试了空心微球的结构形貌、成分以及静磁性能. 结果表明, P(St-co-AA)/Fe2O3核壳粒子在热处理过程中, 由于内核热解生成的有机小分子将Fe2O3 壳层同时还原为Fe3O4, 从而生成了粒径和壁厚均匀的单分散Fe3O4亚微空心球. 该空心微球在室温下的饱和磁化强度、剩余磁化强度和矫顽力分别为50.91 A·m2·kg-1、3.97 A·m2·kg-1和2.33 kA·m-1.     

全二维液相色谱（NPLC×RPLC）接口及其应用

用内径为0．53mm的填充毛细管正相液相色谱为第一维，用4．6mm（i．d．）×50mmRP-18e整体柱反相色谱为第二维，建立了定量环一阀切换接口的全二维液相色谱系统（NPLC×RPLC）．第一维色谱分离洗脱出的组分交替存储在十通阀上的两个定量环中，同时定量环中前一个组分被转移到第二维进行反相分离．因为第一维的流动相流量仅是第二维的1／500，自然解决了流动相兼容问题．采用芳香族化合物的混合物和中药丹参正己烷提取液对该全二维液相系统的分离能力进行了评价．     

Preparation of Co3O4 Nanofibers via an Electrospinning Technique

Thin PVA/cobalt acetate composite fibers were prepared by using sol-gel processing and electrospinning technique.After calcination of the above precursor fibers,Co3O4 nanofibers with a diameter of 50-150 nm could be successfully obtained.The fibers were characterized by SEM,FT-IR,WAXD,respectively.