The structure of blocks

In this paper, we focus on the structure of p-blocks with defect group satisfying some special condition. These special conditions include: two elements of the defect group are conjugate to each other in defect D if and only if they are conjugate to each other in G; the number of conjugacy classes whose p-part is contained in P by conjugacy is not larger than ∣P∣     

The Design and Implementation of Usable ODE Software

In the last decade it has become standard for students and researchers to be introduced to state-of-the-art numerical software through a problem solving environment (PSE) rather than through the use of scientific libraries callable from a high level language such as Fortran or C. In this paper we will identify the constraints and implications that this imposes on the ODE software we investigate and develop. In particular, the way a numerical solution is displayed and viewed by a user dictates that new measures of performance and quality must be adopted. We will use the MATLAB environment and ODE software for initial value problems, boundary value problems and delay problems to illustrate the issues that arise and the progress that has been made. One of the major implications is the expectation that accurate approximations at off-mesh points must be provided. Traditional numerical methods for ODEs have produced approximations to the underlying solution on an associated discrete, adaptively chosen mesh. In recent years it has become common for the ODE software to also deliver approximations at off-mesh values of the independent variable. Such a feature can be extremely valuable in applications and leads to new measures of quality and performance which are more meaningful to users and more consistently interpreted and implemented in contemporary ODE software. Numerical examples of the robust and reliable behaviour of such software will be presented and the cost/reliability trade-offs that arise will be quantified.     

Manifestation of Extracoordination in the Resonance Raman Spectra of Water‐Soluble Cation Co‐Porphyrins

Resonance Raman spectra (RRS) of Co(II) and Co(III)5,10,15,20tetrakis(4Nmethylpyridinium)porphyrin ((Co^II(TmpyP4), and Co^III(TMPyP4)) in aqueous solutions at different pH as well as in organic solvents (methanol, ethanol, DMSO, DMF) are obtained. The increased sensitivity of the oscillation frequencies ₂, ₄, ₈, and ₆ — the markers of the oxidation state of a metal — to the nature of an axial ligand has been revealed. For Co^III(TmpyP4), the shifts of the indicated frequencies in extracoordination have turned out to be twofold larger than those for Co^II(TmpyP4). The spectral effects observed are related to different electron influence of the extraligands on the system of the porphyrin ring. In the case of Co(III)porphyrin, interaction of the d orbitals of the metal and the e _g ^*orbitals of the macrocycle is more efficient since its ionic radius is smaller than for the Co(II)complex. For Co^III(TmpyP4), a linear correlation between the oscillation frequencies ₂, ₄, ₈, and ₆ and the experimental Gutmann parameters characterizing the electronacceptor properties of solvents is found.     

Perturbations in the Spectra of the Rydberg Series of a Silver Atom

The main series of a silver atom with n = 5–70 are investigated. Perturbations of the np ² P _1/2,3/2 states with n = 10 and 17 caused by interaction with the selfionization 4d5s5p ⁴ P _1/2,3/2 states are detected. Energies of the selfionization states are determined.     

Effect of microstructure on the coercivity of HDDR Nd-Fe-B permanent magnetic alloy

The effect of the grain boundary microstructure on the anisotropy and coercivity was investigated in an HDDR Nd-Fe-B permanent magnetic alloy. Considering the special microstructure of its magnetic powder grain, an anisotropic theoretical model influenced simultaneously by the structure defect at the grain boundary and the exchange coupling interaction was put forward. The variations of the structure defect factors based on the nucleation and pinning mechanism with 2r ₀/lex (where r ₀ and lex are the defect thickness and the length of exchange coupling, respectively) were calculated. The results show that the coercivity mechanism of an HDDR Nd-Fe-B permanent magnetic alloy is greatly related to its microstructure defect at the grain boundary. For a fixed lex, when 2r ₀/lex < 1.67, the coercivity is controlled by the pinning mechanism; when 2r ₀/lex > 1.67, it is determined by the nucleation mechanism. The coercivity reaches the maximum when 2r ₀/lex = 1.67. The calculation result is consistent well with the experimental result given by Morimoto et al. Supported by the National Natural Science Foundation of China (Grant No. 50671055)     

Localized defects in classical one-dimensional models

Several aspects of localized defects in the Frenkel-Kontorova, classicalXY chain and analogous models with a finite range of interactions are discussed from a general point of view. Precise definitions are given for defect phase shifts (charges) and for creation, pinning, and interaction energies. Corresponding definitions are also provided for interfaces (localized regions separating two phases). For the nearest-neighbor Frenkel-Kontorova model, the various defect energies are related to areas enclosed by contours joining heteroclinic points of the area-preserving map generated by the conditions of mechanical equilibrium.     

高功率激光反射镜的几个关键技术

 分析了制作高功率连续激光反射镜材料的热性能、缺陷及其加工工艺, 提出了制作高功率激光反射镜应考虑的几个关键问题: 反射镜材料的综合热性能比值S, 材料的微观结构、缺陷的大小和晶向的选择, 以及加工工艺的设计。并介绍了实验结果。     

S-wave baryons in an equally mixed scalar-vector square root potential model of independent quarks

A relativistic model of independent quarks based on Dirac equation with an equally mixed scalar-vector square root confining potential is used to compute the quark core contributions to the static properties like magnetic moments, charge radii and axial vector coupling constant ratios of the baryon octet. The results obtained with appropriate corrections due to centre-of-mass motion agree fairly well with experimental values. The model is also extended to the study of magnetic moments of the quark core of baryons in the charmed andb-flavoured sectors and the overall predictions so obtained compare well with other model predictions.     

Defect structure and migration in Fe3O4

We present the results of a computer simulation study of the defect formation and migration energies in Fe₃O₄. Calculated Frenkel and Schottky energies are found to be similar in magnitude and both are considerably reduced by screening due to electron redistribution around the charged-defect species. The calculations also suggest that cation diffusion is mainly effected by a colinear interstitialcy mechanism at low P_o2 and by a simple octahedral vacancy mechanism at higher P_o2.     

The effect of oxygen exposure on pentacene electronic structure

We use ultraviolet photoelectron spectroscopy to investigate the effect of oxygen and air exposure on the electronic structure of pentacene single crystals and thin films. It is found that O₂ and water do not react noticeably with pentacene, whereas singlet oxygen/ozone readily oxidize the organic compound. Also, we obtain no evidence for considerable p-type doping of pentacene by O₂ at low pressure. However, oxygen exposure lowers the hole injection barrier at the interface between Au and pentacene by 0.25 eV, presumably due to a modification of the Au surface properties.