Study of the effect of swift heavy Ni ion irradiation on ruby single crystal by using the XANES and EXAFS techniques

We have made the XAFS measurements at the Cr–K-edge on natural Indian ruby single crystals (corundum) and its two irradiated samples with fluence 1×10¹² Ni⁶⁺ and 5×10¹² Ni⁶⁺ ions/cm². Irradiated samples show interesting changes in their physical appearance. XANES measurements show progressive decrease in Δ_oct value on increase of Ni fluence in irradiated samples. EXAFS measurements on these samples show decrease in Cr–O distance on increase of Ni fluence. Lowering of Δ_oct value is correlated with the increase of Cr–O distance.     

Microbial Baeyer-Villiger Oxidation of Ketones by Cyclohexanone and Cyclopentanone Monooxygenase – A Computational Rational for Biocatalyst Performance

Summary. Recombinant Escherichia coli overexpressing Pseudomonas sp. NCIMB 9872 cyclopentanone monooxygenase (CPMO, EC 1.14.13.16) and Acinetobacter sp. NCIMB 9871 cyclohexanone monooxygenase (CHMO, EC 1.14.13.22) have been utilized in whole-cell Baeyer-Villiger biotransformations of prochiral bicycloketones. A significant difference in substrate acceptance and stereoselectivity was observed for bicyclo[3.3.0] and bicyclo[4.3.0] substrates. A plausible mechanism of these transformations was established by means of high level DFT/B3LYP calculations suggesting an essential difference in electronic requirements for a successful enzymatic conversion, which was similarly encountered in recombinant whole-cell mediated biooxidations. Some of the lactones produced in the biocatalytic Baeyer-Villiger oxidation represent key intermediates for the synthesis of indole alkaloids.     

Eigenvalue problem for arbitrary linear combinations of a boson annihilation and creation operator

The eigenvalue problem for arbitrary linear combinations kα + μα^? of a boson annihilation operator α and a boson creation operator α^? is solved. It is shown that these operators possess nondegenerate eigenstates to arbitrary complex eigenvalues. The expansion of these eigenstates into the basic set of number states | n >, (n = 0, 1, 2, …), is found. The eigenstates are normalizable and are therefore states of a Hilbert space for | ζ | < 1 with ζ ? μ/k and represent in this case squeezed coherent states of minimal uncertainty product. They can be considered as states of a rigged Hilbert space for | ζ | ? 1. A completeness relation for these states is derived that generalizes the completeness relation for the coherent states | α 〉. Furthermore, it is shown that there exists a dual orthogonality in the entire set of these states and a connected dual completeness of the eigenstates on widely arbitrary paths over the complex plane of eigenvalues. This duality goes over into a selfduality of the eigenstates of the hermitian operators kα + k* α^? to real eigenvalues. The usually as nonexistent considered eigenstates of the boson creation operator α^? are obtained by a limiting procedure. They belong to the most singular case among the considered general class of eigenstates with ζ ? μ/k as a parameter.     

四阶累积量的MUSIC算法在海流测向中的应用

针对高频地波雷达系统OSMAR2000海流测向中海流元数不易估计的问题，利用四阶谱累积量MUSIC算法的空间谱结构特点，采用试探法确定信号源数并估计信号源的位置．通过对模拟海流和实测数据的处理实验表明，利用该算法可以较准确地估计出海流元的个数和方位，并且比传统MUSIC方法获得更小的角度估计方差，有效地反演了海洋表面流信息．     

Sulfur adsorption on Fe(1 1 0): a DFT study

The adsorption of atomic S on the Fe(1 1 0) surface is examined using density functional theory (DFT). Three different adsorption sites are considered, including the atop, hollow and bridge sites and the S is adsorbed at a quarter monolayer coverage in a p(2 × 2) arrangement. The hollow site is found to be the most stable, followed by the bridge and atop sites. At all three sites, S adsorption results in relatively minor surface reconstruction, with the most significant being that for the hollow site, with lateral displacements of 0.09 Å. Comparisons between S-adsorbed and pure Fe surfaces revealed reductions in the magnetic moments of surface-layer Fe atoms in the vicinity of the S. At the hollow site, the presence of S causes an increase in the surface Fe d-orbital density of states between 4 and 5 eV. However, S adsorption has no significant effect on the structure and magnetic properties of the lower substrate layers.     

制备相干态腔场GHZ态

提出了一种利用简并Ⅴ型三能级原子与相干态光场(大失谐条件下)Raman相互作用实现类自旋的腔场Greenberger-Home-Zeilinger(即GHZ)态的新方案。     

原子核的单粒子共振态

采用基于相对论平均场的耦合常数解析延拓方法研究球形核的单粒子共振态.具体计算了Zr同位素链中巨晕核的核芯核122Zr阈值附近的中子共振态的能量、宽度和波函数,其结果同相应的散射相移法的结果一致. Using analytic continuation in the coupling constant (ACCC) method within the framework of the self-consistent relativistic mean field (RMF) theory, the energies, widths and wave functions for single-particle resonant states close to the continuum threshold are evaluated. Predictions are also compared with corresponding results obtained by the scattering phase shift method.     

Tomography of Binomial States of the Radiation Field

The symplectic, optical, and photon-number tomographic symbols of binomial states of the radiation field are studied. Explicit relations for all tomograms of the binomial states are obtained. Two measures for nonclassical properties of these states are discussed.     

n维氢原子的散射态

研究了n维氢原子的散射态性质．给出了精确的按“k/2π标度”归一化的散射态的精确解波函数及相移表达式，讨论了相移的解析性质，获得了束缚-连续跃迁矩阵元的解析计算公式．普通氢原子(n=3)散射态的有关结果作为特例包含在本文的一般结论之中． 关键词： n维氢原子 散射态 精确解 相移 束缚-连续跃迁矩阵元