Model calculations of anisotropic electron lifetimes due to dilute substitutional impurities in molybdenum

The de Haas-van Alphen technique forms a sensitive probe of the electronic structure of dilute alloys because of its dependence on the seattering rate in the forward direction. We report the results of a first principle model calculation of the scattering rate of dilute impurities in molybdenum which focuses on the anisotropy of the host wave function on the Fermi surface. This simplified model treats the impurity potential as an atomic potential screened by a Thomas-Fermi function. Substitutional impurities in bcc molybdenum have been studied using the Greens function (KKR) wave functions. The band structure calculated via the KKR method was fitted to a Fourier series representation in order to accurately determine a sufficiently large number of states on the Fermi surface. The KKR wavefunctions were used to calculate scattering rates for the substitutional impurity since the impurity potential can be best described in an angular momentum representation which is inherent to the Greens function method. Our detailed results, to be presented, suggest additional experiment to be done.     

Theories of quark confinement

It is conjectured that a non-Abelian gauge theory based on the color SU(3) group will confine quarks. Various techniques that have been applied to this question are reviewed. These include approximate methods based on strong coupling expansions of Hamiltonian and Euclidian lattice theories, instanton improvements on perturbation theory, and solutions of truncated Dyson-Schwinger equations for the gauge field propagator. Formal results based on electric-magnetic duality arguments and on the study of loop field theories are presented. Deconfinement at high temperatures, the inclusion of light quarks, and a possible reconciliation with a hypothetical discovery of free quarks are discussed.     

用数学模型计算生长大尺寸光学晶体加热系统结构 第2部分—在φ4 00mmCaF_2晶体生长中计算辐射-传导热交换的方法和结果(英文)

大尺寸氟化物晶体的生长是基于对晶体炉热交换的实验研究和计算结果 ,在晶体生长过程的不同阶段解决了复杂结构生长容器的边界条件和温场的二维计算任务。我们在这里给出了晶体生长过程中温场设置和转变的具体数据。所有的计算都是根据晶体、熔体 ,容器材料的光学特性与光谱和温度的关系以及它们的热物理值与温度的关系做出的。这些结果包括了迄今有关氟化物晶体生长系统和过程的最精确的数据 ,可用于生长技术工艺的发展以及晶体生长炉和容器的设计。     

Calix[4]arene methylenebisphosphonic acids as calf intestine alkaline phosphatase inhibitors

Calix[4]arenes bearing one or two methylenebisphosphonic acid fragments were prepared via addition of diethylphosphite to the parent calix[4]arene aldehydes. The resulting compounds displayed stronger inhibition of calf intestine alkaline phosphatase than simple methylenebisphosphonic or 4-hydroxyphenyl methylenebisphosphonic acids. The action of these phosphorylated calix[4]arenes is concordant with partial mixed-type inhibition. The inhibition constants Ki and Ki' for the calix[4]arene bis(methylenebisphosphonic) acid in Tris-HCl buffer at pH 9 are 0.38 microM and 2.8 microM respectively. The replacement of the phosphoric acid moieties on the macrocycle with diethylphosphonates results in a sharp decrease of its inhibitory action. Preorganizing phosphonic acid fragments using a calixarene platform therefore provides a promising approach for the design of efficient alkaline phosphatase inhibitors.     

Generation and enumeration of compact conformations on the two-dimensional triangular and three-dimensional fcc lattices

We enumerated all compact conformations within simple geometries on the two-dimensional (2D) triangular and three-dimensional (3D) face centered cubic (fcc) lattice. These compact conformations correspond mathematically to Hamiltonian paths and Hamiltonian circuits and are frequently used as simple models of proteins. The shapes that were studied for the 2D triangular lattice included mxn parallelograms, regular equilateral triangles, and various hexagons. On the 3D fcc lattice we generated conformations for a limited class of skewed parallelepipeds. Symmetries of the shape were exploited to reduce the number of conformations. We compared surface to volume ratios against protein length for compact conformations on the 3D cubic lattice and for a selected set of real proteins. We also show preliminary work in extending the transfer matrix method, previously developed by us for the 2D square and the 3D cubic lattices, to the 2D triangular lattice. The transfer matrix method offers a superior way of generating all conformations within a given geometry on a lattice by completely avoiding attrition and reducing this highly complicated geometrical problem to a simple algebraic problem of matrix multiplication.     

Two‐grid methods for mixed finite‐element solution of coupled reaction‐diffusion systems

We develop 2‐grid schemes for solving nonlinear reaction‐diffusion systems: where p = (p, q) is an unknown vector‐valued function. The schemes use discretizations based on a mixed finite‐element method. The 2‐grid approach yields iterative procedures for solving the nonlinear discrete equations. The idea is to relegate all the Newton‐like iterations to grids much coarser than the final one, with no loss in order of accuracy. The iterative algorithms examined here extend a method developed earlier for single reaction‐diffusion equations. An application to prepattern formation in mathematical biology illustrates the method's effectiveness. © 1999 John Wiley & Sons, Inc. Numer Methods Partial Differential Eq 15: 589–604, 1999     

Non-Thermal Plasma Sources Based on Cometary and Point-to-Ring Discharges

A non-thermal plasma (NTP) is a promising tool against the development of bacterial, viral, and fungal diseases. The recently revealed development of microbial resistance to traditional drugs has increased interest in the use of NTPs. We have studied and compared the physical and microbicidal properties of two types of NTP sources based on a cometary discharge in the point-to-point electrode configuration and a corona discharge in the point-to-ring electrode configuration. The electrical and emission properties of both discharges are reported. The microbicidal effect of NTP sources was tested on three strains of the bacterium Staphylococcus aureus (including the methicillin-resistant strain), the bacterium Pseudomonas aeruginosa, the yeast Candida albicans, and the micromycete Trichophyton interdigitale. In general, the cometary discharge is a less stable source of NTP and mostly forms smaller but more rapidly emerging inhibition zones on agar plates. Due to the point-to-ring electrode configuration, the second type of discharge has higher stability and provides larger affected but often not completely inhibited zones. However, after 60 min of exposure, the NTP sources based on the cometary and point-to-ring discharges showed a similar microbicidal effect for bacteria and an individual effect for microscopic fungi.