高温高密度氦的压缩特性及其结构的分子动力学模拟

用分子动力学方法和不同参数的指数 6势函数计算了T =30 4K的高密度氦的等温压缩线和能量分布 .给出了能精确描述高密度氦原子间相互作用的指数 6势函数优化参数 .并用优化的势函数计算了高密度氦T =30 0K和T =2 98K的等温压缩线 ,计算结果和实验值非常吻合 .进一步用优化的势函数模拟了高温高密度氦的状态方程及其结构 ,发现当把 ρ限定为 1 .6 0g /cm³ 时 ,其径向分布函数的第 2个峰将在 2 0 0 0～ 30 40K区间消失 ,表明此时发生了固 液相变过程 .     

多尺度B样条小波边缘检测算子

基于B样条理论提出了一类新的多尺度小波变换,通过其零交叉或模极值能有效地表示和检测信号或图象的边缘,对任意n次B样条,导出了相应的分解和重建的快速算法,对应的用于分解和重建的滤波器的时域和频域响应也被精确地给出.从时频局部化的角度对不同次数的B样条作了分析,认为3次B样条小波在边缘提取等实际应用中是渐近最优的,结果也为B样条小波在立体视觉匹配、滤噪等方面的进一步应用提供了基础.     

Directed frames

Predicate extensions of the intermediate logic of the weak excluded middle and of the modal logic S4.2 are introduced and investigated. In particular it is shown that some of them are characterized by subclasses of the class of directed frames with either constant or nested domains.This paper is dedicated to Professor Grigorij E. Mints who has incouraged us to persue this research     

Resonance-enhanced multiphoton ionisation photoelectron spectroscopy of the ClO radical: the C 2 sigma- state

A (2 + 1) one-colour resonance-enhanced multiphoton ionisation study is carried out on the C 2 sigma- state of the ClO radical in the one-photon energy range 29,500-31,250 cm-1. The ClO radical is produced by one-photon photolysis of ClO2 employing 359.2 nm photons derived from a separate laser. In this way a significant concentration of vibrationally excited ClO in its spin-orbit split X 2 pi omega (omega = 3/2 or 1/2) electronic ground state is produced. In addition to mass-resolved excitation spectra, kinetic-energy resolved photoelectron spectra for the X 3 sigma-(v+)<--C 2 sigma-(v' = 3-5) transitions are measured. These transitions are not completely Frank-Condon diagonal, and indicate a decrease in bond length on removal of the Rydberg electron from the C 2 sigma- state. In addition to an unambiguous assignment of the C 2 sigma- state, valuable information is obtained on the degree of vibrational excitation with which the nascent ClO radical is formed in the photolysis of ClO2. Analysis of the photoelectron spectra is supported by Franck-Condon calculations based on potential energy curves either from experimental spectroscopic parameters, or obtained by theoretical ab initio methods.     

PARALLEL AUXILIARY SPACE AMG FOR H（curl） PROBLEMS

In this paper we review a number of auxiliary space based preconditioners for the second order definite and semi-definite Maxwell problems discretized with the lowest order Nedelec finite elements. We discuss the parallel implementation of the most promising of these methods, the ones derived from the recent Hiptmair-Xu （HX） auxiliary space decomposition [Hiptmair and Xu, SIAM J. Numer. Anal., 45 （2007）, pp. 2483-2509]. An extensive set of numerical experiments demonstrate the scalability of our implementation on large-scale H（curl） problems.     

Synthesis and molecular structure of hydrido(tetrahydroborato)(1,1,1-tris(diphenylphosphinomethyl)ethane)-iron(II)

Sodium tetrahydroborate reacts with iron(II) tetrafluoroborate and 1,1,1-tris(diphenylphosphinomethyl)ethane (triphos) to give the complex (triphos)-FeH(BH₄) whose molecular structure, determined from X-ray data consists of monomolecular units in which the iron atom is six-coordinated by the three phosphorus atoms of the ligand, two hydrogen atoms of the BH₄ group, and a hydridic hydrogen atom. Variable temperature ³¹P NMR spectra reveal stereochemical non-rigidity of the complex in solution.     

Paramagnetic carbonyl cobalt(II) complexes. Molecular structure of bromocarbonyl-1,1,1-tris(diphenylphosphinomethyl)ethanecobalt(II) tetraphenylborate

Carbon monoxide or cyclohexyl isonitrile (L) react with the dinuclear five-coordinated derivatives of 1,1,1-tris(diphenylphosphinomethyl)ethane, (triphos), [(triphos)Co(μ-X)₂Co(triphos)](BPh₄)₂ (X = halide) to give complexes of formula [(triphos)Co(L)X]BPh₄. The latter are rare examples of paramagnetic cobalt(II) carbonyl complexes. The molecular structure of [(triphos)Co(CO)Br]BPh₄ has been determined from counter diffraction data. The crystals are monoclinic, space group P2₁/a with cell dimensions a 20.225(8), b 20.664(9), c 13.301(5); β 97.24(5)°, D_c = 1.338 g cm^?3 for Z = 4. Full-matrix least squares refinement led to the conventional R factor of 0.057 for 3648 observed reflections. The molecular structure consists of five-coordinate [(triphos)Co(CO)Br]⁺ cations of intermediate geometry and BPh^?₄ anions.     

YBa2Cu3Ox超导体的光谱研究

能带是决定固体特性的头等重要的因素。我们用光谱方法对单相YBa₂Cu₂O_x高T。超导体进行了研究,测量了样品的反射-吸收谱、Raman光谱和荧光光谱.其350和500nm吸收带以及390nm,560nm荧光峰来自晶格中Cu⁺发光中心,是跃迁过程¹A_1g(3d¹⁰)-¹E_g和~3E_g(3d⁹4s¹)。其720nm和860nm荧光峰来自Cu²⁺发光中心,是由于自由离子光谱项²D在八面体晶场、正交晶系晶场中分裂为5个能级之间的跃迁。此外,还有一些光谱可能来自晶格中Cu³⁺发光中心,其481cm^-1和551cm^-1声子对说明了312cm^-1处声子对与电子系统是强耦合。     

相对论性核与乳胶(Ag)碰撞中灰粒子的系统研究 *

用描写相对论性核 核碰撞的LUCIAE模型和相应的事件产生器系统地研究了 1 4.6 ,6 0和 2 0 0AGeV的O核、2 0 0AGeV的Si和S核以及 1 1 .6AGeV的Au核与乳胶 (Ag)碰撞中灰粒子产生的平均多重数、多重数分布以及角分布 3个物理量同入射能量、射弹质量及碰撞中心度间的关系 ,还研究了再散射在灰粒子产生机制中的作用 .LUCIAE的这些研究结果与相应的EMU0 1乳胶实验结果都相一致 .