A method of grid element cloning

A simple, reliable, and fast method of putting a new computational facilities into operation in a grid environment is described. This method was successfully tested as part of the grid segment at Dzhelepov Laboratory of Nuclear Problems, Joint Institute for Nuclear Research (JINR), for work at the ATLAS collaboration.     

A grid redistribution method for singular problems

Many physical phenomena develop singular, or nearly singular behavior in localized regions, e.g. boundary layers or blowup solutions. Using uniform grids for such problems becomes computationally prohibitive as the solution approaches singularity. Ren and Wang developed a semi-static adaptive grid method [W. Ren, X.P. Wang, An iterative grid redistribution method for singular problems in multiple dimensions, J. Comput. Phys. 159 (2000) 246–273] for the solution of these problems, known as the iterative grid redistribution (IGR) method. In this study we develop a theoretical basis for semi-static adaptive grid method for singular problems. Based on this theory, we obtain the key result of this study – a methodology for designing robust weight functionals which ensures grid resolution in the singular region, as well as control of the maximal grid spacing in the outer region. Using this methodology, we introduce a semi-static adaptive grid method, which does not involve an iterative procedure for grid redistribution, as in the IGR method. We demonstrate the efficacy of this method with numerical examples of solutions which localize by more than nine orders of magnitude.     

Study of pure rotation line shift in dipolar mixtures with a grid Fabry-Perot interferometer

The aim of this study is the frequency shift measurement of pure rotation lines for three strongly dipolar molecules: HF, HCl and HBr, each of them successively perturbed by one of the two others, under low pressure (1 to 2 bar). Measurements are made with a grid Fabry-Perot interferometer in the 16–100 cm^–1 region.     

Photodissociation of NaH using time-dependent fourier grid method

We have solved the time dependent Schrödinger equation by using the Chebyshev polynomial scheme and Fourier grid Hamiltonian method to calculate the dissociation cross section of NaH molecule by 1-photon absorption from the X ¹Σ⁺ state to the B ¹Π state. We have found that the results differ significantly from an earlier calculation [1] although we have used the same set of potential energy curves [2].     

Nested Cartesian grid method in incompressible viscous fluid flow

In this work, the local grid refinement procedure is focused by using a nested Cartesian grid formulation. The method is developed for simulating unsteady viscous incompressible flows with complex immersed boundaries. A finite-volume formulation based on globally second-order accurate central-difference schemes is adopted here in conjunction with a two-step fractional-step procedure. The key aspects that needed to be considered in developing such a nested grid solver are proper imposition of interface conditions on the nested-block boundaries, and accurate discretization of the governing equations in cells that are with block-interface as a control-surface. The interpolation procedure adopted in the study allows systematic development of a discretization scheme that preserves global second-order spatial accuracy of the underlying solver, and as a result high efficiency/accuracy nested grid discretization method is developed. Herein the proposed nested grid method has been widely tested through effective simulation of four different classes of unsteady incompressible viscous flows, thereby demonstrating its performance in the solution of various complex flow–structure interactions. The numerical examples include a lid-driven cavity flow and Pearson vortex problems, flow past a circular cylinder symmetrically installed in a channel, flow past an elliptic cylinder at an angle of attack, and flow past two tandem circular cylinders of unequal diameters. For the numerical simulations of flows past bluff bodies an immersed boundary (IB) method has been implemented in which the solid object is represented by a distributed body force in the Navier–Stokes equations. The main advantages of the implemented immersed boundary method are that the simulations could be performed on a regular Cartesian grid and applied to multiple nested-block (Cartesian) structured grids without any difficulty. Through the numerical experiments the strength of the solver in effectively/accurately simulating various complex flows past different forms of immersed boundaries is extensively demonstrated, in which the nested Cartesian grid method was suitably combined together with the fractional-step algorithm to speed up the solution procedure.     

A grid based particle method for moving interface problems

We propose a novel algorithm for modeling interface motions. The interface is represented and is tracked using quasi-uniform meshless particles. These particles are sampled according to an underlying grid such that each particle is associated to a grid point which is in the neighborhood of the interface. The underlying grid provides an Eulerian reference and local sampling rate for particles on the interface. It also renders neighborhood information among the meshless particles for local reconstruction of the interface. The resulting algorithm, which is based on Lagrangian tracking using meshless particles with Eulerian reference grid, can naturally handle/control topological changes. Moreover, adaptive sampling of the interface can be achieved easily through local grid refinement with simple quad/oct-tree data structure. Extensive numerical examples are presented to demonstrate the capability of our new algorithm.     

A Cartesian grid embedded boundary method for hyperbolic conservation laws

We present a second-order Godunov algorithm to solve time-dependent hyperbolic systems of conservation laws on irregular domains. Our approach is based on a formally consistent discretization of the conservation laws on a finite-volume grid obtained from intersecting the domain with a Cartesian grid. We address the small-cell stability problem associated with such methods by hybridizing our conservative discretization with a stable, nonconservative discretization at irregular control volumes, and redistributing the difference in the mass increments to nearby cells in a way that preserves stability and local conservation. The resulting method is second-order accurate in L¹ for smooth problems, and is robust in the presence of large-amplitude discontinuities intersecting the irregular boundary.     

Two-dimensional Otsu's thresholding segmentation method based on grid box filter

Otsu algorithm, an automatic thresholding method, is widely used in classic image segmentation applications. In this paper, a novel two-dimensional (2D) Otsu thresholding algorithm based on local grid box filter is proposed. In our method, firstly by utilizing the coarse-to-fine idea, the 2D histogram is divided into regions by grid technique, and each region is used as a point to form a new 2D histogram, to which 2D Otsu thresholding algorithm and an improved particle swarm optimization (PSO) algorithm are applied to get the region number of the new 2D histogram threshold. Then on the result region, the mean of the 2D histogram is computed base on box filter, and the two algorithms are applied again to obtain the final threshold for the original image. Experimental results on real data show that the proposed algorithm gets better segmentation results than the traditional recursion Otsu algorithm. It significantly reduces the time of segmentation process and simultaneously has the higher segmentation accuracy.     

一种新颖的实现纳米条纹沉积方法研究

利用近共振激光驻波场操纵中性原子实现纳米量级条纹沉积技术是一种新型的研制纳米结构长度传递标准的方法,采用了一种新颖的方法,通过预准直孔的设定,将原子束在空间分成三部分,利用中间部分的原子束和近共振激光驻波场相互作用,在激光驻波场辐射压力作用下使原子按照特定周期沉积在基板上,从而实现纳米条纹的制作.利用两侧部分的原子束与探测激光束相互作用,通过其感生荧光来监测中间部分原子束沉积过程中的准直效果,从而为原子的沉积过程提供实时的原子束特性监测.最后对纳米沉积条纹在经由三狭缝预准直结构作用前后的效果进行了三维仿真,结果表明,未采用该三狭缝预准直结构时,纳米沉积条纹的半高宽为32nm,对比度为8∶1,而采用该三狭缝预准直结构之后,纳米沉积条纹的半高宽为6.2nm,对比度为28∶1,大大提高了纳米沉积条纹的质量.     

The schmidt number of pure continuous-variable bipartite entangled states and the method of its calculation

The Schmidt number—the measure of entanglement of pure states of a continuous-variable bipartite system—is analytically calculated for a simple model of photon-atom scattering.     

A new endocytic model based on the co-rotational grid method

Endocytosis plays important roles in many cellular physiological processes, such as metabolism and immune. Many theoretical models have been proposed to study the endocytic process, but little has considered the tensile deformation of the membrane and the actin forces. In this paper, a new endocytic model is proposed based on the co-rotational grid method. Our model gives a direct estimation of the in-plane strain of the plasma membrane and provides a basis for the calculation of further scission process of the vesicle. The results fit well with experimental data in the literature. Moreover, it is suggested that the active forces of actin at the endocytic site is the main mechanism driving the invagination of the plasma membrane.     

The theory of pure operations

This paper continues the study started in [13] where classes of operations were investigated in the partially ordered vector space approach to the theory of statistical physical systems. In this approach the set of states is represented by a norm closed generating coneK in a complete base norm space (V, K, B) and the set of operations is represented by the setP of positive norm non-increasing linear operators onV. In actual physical experiments it is usually the case that only certain subsets ofK are available and it is supposed that the set (K) of such subsets is the set of split faces ofK. The properties of two important classes of operation are examined. The first classP of strong operations has the property that each member leaves every element of (K) invariant and therefore can be measured in every restricted situation. The second classP _P of pure operations has the property above and also sends pure states into pure states. A study is made, in terms of the structure of (K), of when such operations are physically relevant. The paper ends with an examination of (K),P, P _P in the Von Neumann algebra model.     

Optimal unambiguous discrimination of pure quantum states using SDP method

In the present paper, an exact analytic solution for the optimal unambiguous state discrimination(OPUSD) problem involving an arbitrary number of pure linearly independent quantum states with real and complex inner product is presented. Using semidefinite programming and Karush-Kuhn-Tucker convex optimization method, we derive an analytical formula which shows the relation between optimal solution of unambiguous state discrimination problem and an arbitrary number of pure linearly independent quantum states.     

Super-hydrophobic surface on pure magnesium substrate by wet chemical method

A layer of flower-like super-hydrophobic film was fabricated on pure Mg surface by chemical etching in H₂SO₄, H₂O₂ and subsequent immersion in stearic acid (CH₃(CH₂)₁₆COOH) ethanol solution. The super-hydrophobic surface showed a static water contact angle of 154° with the sliding angle of about 3°. With scanning electron microscope (SEM), energy dispersive spectroscopy (EDS) and Fourier-transform infrared (FT-IR) spectrometer, the microstructure and composition of the sample were analyzed. Results showed that the flower-like structure and the bonding of the CH₃(CH₂)₁₆COO⁻ on Mg surface can be responsible for the superior water-repellent property. Electrochemical impedance spectroscopy revealed that the transfer resistance of super-hydrophobic surface was increased about four times than bare Mg after one-hour immersion in 0.1 mol/L NaCl solution.     

EPR studies of highly pure,pure and doped chromium oxide powders

Abstract

EPR absorption measurements on ‘pure’, highly pure and A1₂O₃ doped Cr₂O₃ powder have been made. The EPR absorption in the ‘pure’ powders obtained below Ntel temperature is shown to be due to background magnetic impurities present in the powders and not due to superparamagnetism as suggested by earlier authors. No EPR absorption could be observed below Nkl temperature in highly pure powders (total background impurity concentration less than 5 ppm). ‘Pure’ powders or highly pure powders mixed with A1₂O₃ powder and annealed at high temperatures showed a symmetrical EPR absorption line at room temperature. The shape and the g value of this line are practically the same as those obtained for Cr³⁺ ions in Cr₂O₃ above Nee1 temperature or in other nonmagnetic crystals. It is concluded from these results that the impurities diffuse into Cr₂O₃ powder, the antiferro-magnetic coupling between some of the Cr³⁺ ions is broken and these Cr³⁺ ions become paramagnetic, even when the bulk of the material is in antiferromagnetic state. The variation of half-width of EPR lines with impurity concentration shows that the dipolar coupling between Cr³⁺ ions decreases with the increase in impurity concentration and when the impurity concentration is high the Néel temperature seems to shift to lower temperatures. A longer heat treatment of the ‘pure’ B powder resulted in the production of shining metal particles in the powder. The EPR of this powder showed excessive increase in the intensity of EPR absorption when the temperature of the powder was raised to a value just above the Néel temperature. A comparison of these reuslts with the work of earlier authors suggests that the shinning metal particles are those of chromium metal and are responsible for this increase in EPR absorption.     

网格长宽比对隐式多重网格算法收敛率的影响及其改进

计算复杂实用外形绕流时,由于几何外形的复杂性,计算网格的空间网格长宽比变化很大。分析表明使用这类网格将影响隐式多重网格法的收敛率,如果使用与网格长宽比有关的耗散模型,将会克服网格长宽比的影响     

The pure rotational spectra of the lanthanum monohalides, LaF, LaCl, LaBr, LaI

Pure rotational spectra have been measured for all the major isotopomers of the lanthanum monohalides, LaF, LaCl, LaBr, and LaI, in their ground and (except for ) excited vibrational states. The spectra were observed with a cavity pulsed jet Fourier transform microwave spectrometer in the frequency range 5-24 GHz. The molecules were prepared by laser ablation of La metal and allowing the resulting plasma to react with SF₆, Cl₂, Br₂, or CH₃I precursor in an Ar carrier gas of the pulsed jet. For LaBr this is the first reported spectrum of any kind. Rotational constants, centrifugal distortion constants, nuclear quadrupole coupling constants, and nuclear spin-rotation constants have been determined for all the molecules. Accurate equilibrium (r_e) internuclear distances have given an indication of where the Born-Oppenheimer approximation is beginning to fail. From the centrifugal distortion constants and vibration-rotation (α_e) constants good estimates of the harmonic vibration frequencies and bond dissociation energies have been obtained. The halogen nuclear quadrupole coupling constants indicate the molecules to be highly ionic.     

A time-dependent Fourier grid Hamiltonian-based formulation of time-dependent multi-configuration Hartree method

We propose a variant of the time-dependent multi-configuration Hartree method within the framework of Fourier grid Hamiltonian method. The workability of the method proposed is demonstrated with a well-known coupled two-mode problem.     

Preparation of pure ZnO nanoparticles by a simple solid-state reaction method

ZnO nanoparticles are synthesized by the one-step solid-state reaction using ZnSO₄·7H₂O and NaOH as the reagents. By adjusting the molar ratio of the reagents, the unwanted component Zn(OH)₂, which is the intermediate product of the reaction, can be fully removed in the final product, and the preparation of pure ZnO nanoparticles are achieved at room temperature. The X-ray diffraction pattern and transmission electron microscopic observations show that these nanoparticles are of hexagonal phase ZnO mostly in round shapes with a minority of rod shape with a mean grain size of about 40 nm. PACS  61.46.Df; 81.07.-b; 61.46.-w; 81.07.wx; 81.16.-c