Ab initio calculations of differential cross sections for single charge transfer in He-3(2+)+He-4 collisions

The single charge transfer process in He-3(2+)+He-4 collisions is investigated using the quantum-mechanical molecular-orbital close-coupling method, in which the adiabatic potentials and radial couplings are calculated by using the ab initio multireference single- and double-excitation configuration interaction methods. The differential cross sections for the single charge transfer are presented at the laboratorial energies E = 6 keV and 10 keV for the projectile He-3(2+). Comparison with the existing data shows that the present results are better in agreement with the experimental measurements than other calculations in the dominant small angle scattering, which is attributed to the accurate calculations of the adiabatic potentials and the radial couplings.

Isotopic dependence of production cross sections of superheavy nuclei in hot fusion reactions

The dinuclear system model has been further developed by introducing the barrier distribution function method in the process of heavy-ion capture and fusion to synthesize superheavy nuclei. The capture of two colliding nuclei, formation and de-excitation process of compound nucleus are decribed by using empirical coupled channel model, solving master equation numerically and statistical evaporation model, respectively. Within the framework of the dinuclear system model, the fusion-evaporation excitation functions of the systems Ca-48(Am-243, 3n-5n) (288-286)115 and Ca-48(Cm-248, 3n-5n)(293-291)116 are calculated, which are used for synthesizing new superheavy nuclei at Dubna in recent years. Isotopic dependence of production cross sections with double magic nucleus Ca-48 bombarding actinide targets U, Np, Pu, Am, Cm to synthesize superheavy nuclei with charged numbers Z=112-116 is analyzed systematically. Based on these analysis, the optimal projectile-target combination and the optimal excitation energy are proposed. It is shown that shell correction energy and neutron separation energy will play an important role on the isotopic dependence of production cross sections of superheavy nuclei.

Production cross sections of superheavy nuclei based on dinuclear system model

The barrier distribution function method is introduced in the dinuclear system model in the calculation of the transmission probability, which is the first stage in the synthesis of superheavy nuclei. Dynamical deformation and averaging collision orientations are considered in the calculation of the fusion probability by solving master equation numerically. Survival probability with respect to xn evaporation channel (x = 1-5) in the de-excitation process of the thermal compound nucleus is calculated, in which the level density of the Fermi-gas model is used. Production cross sections of a series of superheavy nuclei formed in the reactions taken magic and deformed nuclei as target in Ca-48 induced reactions are studied systematically. The calculated results are in good agreement with available experimental data. Isotopic dependence of the production cross sections in the reactions Ca-48 + Pu is analyzed.

Optimal design of a 7 T highly homogeneous superconducting magnet for a Penning trap

A Penning trap system called Lanzhou Penning Trap (LPT) is now being developed for precise mass measurements at the Institute of Modern Physics (IMP). One of the key components is a 7 T actively shielded superconducting magnet with a clear warm bore of 156 mm. The required field homogeneity is 3 x 10(-7) over two 1 cubic centimeter volumes lying 220 mm apart along the magnet axis. We introduce a two-step method which combines linear programming and a nonlinear optimization algorithm for designing the multi-section superconducting magnet. This method is fast and flexible for handling arbitrary shaped homogeneous volumes and coils. With the help of this method an optimal design for the LPT superconducting magnet has been obtained.

Relativistic photoionization cross sections for atomic Mg

The photoionization cross sections of the ground level (3s(2) S-1(0)) of atomic Mg have been studied theoretically in the energy region between the Mg+(3s) and Mg+(3p) threshold using the fully relativistic R-matrix method. The positions and widths of resonances have also been obtained and compared with a recent experiment (Wehlitz et al 2007 J. Phys. B 40 2385). Excellent agreement is shown between our theoretical calculations and experimental measurements. In the present calculations, five Rydberg series of doubly excited states have been exhibited, i.e. 3pns P-1, 3pnd P-1, 3pns P-3, 3pnd D-3 and 3pnd P-3, where 3pnd P-3 are confirmed as the fifth series in contrast to the previous theoretical results.

Differential and Integral Cross Sections for Electron Impact Excitation of Lithium

The differential and integral cross sections for electron impact excitation of lithium from the ground state 1s(2)2s to excited states 1s(2)2p, 1s(2)3l (l = s,p,d) and 1s(2)4l (l = s,p,d,f) at incident energies ranging from 5 eV to 25 eV are calculated by using a full relativistic distorted wave method. The target state wavefunctions are calculated by using the Grasp92 code. The continuum orbitals are computed in the distorted-wave approximation, in which the direct and exchange potentials among all the electrons are included. A part of the cross sections are compared with the available experimental data and with the previous theoretical values. It is found that, for the integral cross sections, the present calculations are in good agreement with the time-independent distorted wave method calculation, for differential cross sections, our results agree with the experimental data very well.

A Simple Method for Preparing Carbon Nanotubes/Clay Hybrids in Water

A simple novel method for preparing multiwalled carbon nanotubes/montmorillonite (MWNTs/MMT) hybrids has been established through mixing pristine MWNTs in MMT aqueous dispersion. The principle of this method is based on the formation of stable dispersion containing both MWNTs and MMT in water, which results from strong interaction between MWNTs and MMT platelets. Sedimentation experiments, measurements of potential, and Raman spectra have been used to confirm the presence of strong interaction between MWNTs and MMT sheets. The morphology observation for the dried MWNTs/MMT hybrids shows that the obtained hybrids are homogeneous, in which MWNTs exist as the state of single nanotubes that are absorbed on the surface and edge of MMT sheets.

General and Facile Method To Prepare Uniform Y2O3:Eu Hollow Microspheres

Well-shaped Y2O3:Eu hollow microspheres have been successfully prepared on a large scale via a urea-based homogeneous precipitation technique in the presence of colloidal carbon spheres as hard templates followed by a subsequent heat treatment process. XRD results demonstrate that all the diffraction peaks of the samples can be well indexed to the pure cubic phase Of Y2O3. TEM and SEM images indicate that the shell of the uniform hollow spheres, whose diameters are about 250 nm, is composed of many uniform nanoparticles with diameters of about 20 nm, basically consistent with the estimation of XRD results. Furthermore, the main process in this method was carried out in aqueous condition, without the use of organic solvents or etching agents. The as-prepared hollow Y2O3:Eu microspheres show a strong red emission corresponding to the D-5(0)-F-7(2) transition of the Eu3+ ions under ultraviolet or low voltage excitation, which might find potential applications in fields such as light phosphor powders, advanced flat panel displays, field emission display devices, and biological labeling.

Electron collision cross sections and rate coefficients for the Na-like Cu ion

Collision cross sections are calculated using the R-matrix method for excitations between the three lowest LS states for Na-like Cu ion. The complex resonance structures are investigated. The collision rate coefficients have been calculated assuming a Maxwellian distribution of electron-impact energies. The results of the collision cross sections are in good agreement with those of the other theory.

THE APPLICATION OF ULTRAMICROELECTRODE IN HOMOGENEOUS CATALYTIC REACTION .5. ELECTROCHEMICAL-BEHAVIOR OF MACRO-MICRO-MACRO TRIPLE AND MICRO-MICRO TWIN ELECTRODES AND THE QUASI-FIRST-ORDER HOMOGENEOUS CATALYTIC REACTION (EC') AT GENERATION/COLLECTION ELECT

A new type of macro-micro-macro triple electrode has been fabricated, the steady-state currents of solution redox species have been observed at an ultramicroband electrode by linear potential scan voltammetry, and generation/collection experiments have al

APPLICATION OF ULTRAMICROELECTRODES IN STUDIES OF HOMOGENEOUS CATALYTIC REACTIONS .2. A THEORY OF QUASI-1ST AND 2ND-ORDER HOMOGENEOUS CATALYTIC REACTIONS

The analytical expressions of quasi-first and second order homogeneous catalytic reactions with different diffusion coefficients at ultramicrodisk electrodes under steady state conditions are obtained by using the reaction layer concept. The method of treatment is simple and its physical meaning is clear. The relationship between the diffusion layer, reaction layer, the electrode dimension and the kinetic rate constant at an ultramicroelectrode is discussed and the factor effect on the reaction order is described. The order of a catalytic reaction at an ultramicroelectrode under steady state conditions is related not only to C(Z)*/C(O)* but also to the kinetic rate constant and the dimension of the ultramicroelectrode; thus the order of reaction can be controlled by the dimension of the ultramicroelectrode. The steady state voltammetry of the ultramicroelectrode is one of the most simple methods available to study the kinetics of fast catalytic reactions.

THE APPLICATION OF AN ULTRAMICROELECTRODE IN HOMOGENEOUS CATALYTIC REACTION .1. GENERAL CHARACTERISTIC OF A HOMOGENEOUS CATALYTIC REACTION AT AN ULTRAMICROELECTRODE WITH ARBITRARY GEOMETRY UNDER STEADY-STATE

A general characteristic of the electrochemical process coupling with a homogeneous catalytic reaction at an ultramicroelectrode under steady state is described. It was found that the electrochemical process coupling with homogeneous catalytic reaction has a similar steady state voltammetric wave at an ultramicroelectrode with arbitrary geometry. A method of determination for the kinetic constant of homogeneous catalytic reaction at an ultramicroelectrode with arbitrary geometry is proposed.

Mesozoic-Cenozoic tectonic evolution of the Zhuanghai area, Bohai-Bay Basin, east China: the application of balanced cross-sections

The technique of balancing cross-sections, an important method for studying the tectonic history of sedimentary basins, has many applications. It enables one to compile charts for petroleum exploration and development, and growth sections of ancient structures can be restored so that the structural growth history can be studied. In order to study tectonic evolution in the Zhuanghai area of the Bohai-Bay basin, we selected two seismic profiles and compiled two structural growth sections. Based on the two balanced cross-sections, the evolution can be divided into four phases: the Triassic-Middle Jurassic phase, Late Jurassic - Cretaceous phase, Palaeogene extension phase, and Late Palaeogene-to-present phase. The whole area was uplifted during the Triassic-Middle Jurassic phase because of intense extrusion stress related to the Indo-China movement. During the Late Jurassic and Early Cretaceous, intense extension occurred in east China, and the whole area rifted, leading to the deposition of a thick sedimentary sequence. In the Late Cretaceous, the area suffered uplift and compression associated with the sinistral strike slip of the Tanlu fault. In the Palaeogene, a rifting basin developed in the area. Finally, it became stable and was placed in its present position by dextral strike-slip motion. In addition, some problems associated with compiling balanced cross-sections are discussed.

三维油藏数值模拟正反演算法研究

The dynamic prediction of complex reservoir development is one of the important research contents of dynamic analysis of oil and gas development. With the increase development of time, the permeabilities and porosities of reservoirs and the permeability of block reservoir at its boundaries are dynamically changing. How to track the dynamic change of permeability and porosity and make certain the permeability of block reservoir at its boundary is an important practical problem. To study developing dynamic prediction of complex reservoir, the key problem of research of dynamic prediction of complex reservoir development is realizing inversion of permeability and porosity. To realize the inversion, first of all, the fast forward and inverse method of 3-dimension reservoir simulation must be studied. Although the inversion has been widely applied to exploration and logging, it has not been applied to3-dimension reservoir simulation. Therefore, the study of fast forward and inverse method of 3-dimension reservoir simulation is a cutting-edge problem, takes on important realistic signification and application value. In this dissertation, 2-dimension and 3-dimension fluid equations in porous media are discretized by finite difference, obtaining finite difference equations to meet the inner boundary conditions by Peaceman's equations, giving successive over relaxation iteration of 3-dimension fluid equations in porous media and the dimensional analysis. Several equation-solving methods are compared in common use, analyzing its convergence and convergence rate. The alternating direction implicit procedure of 2-dimension has been turned into successive over relaxation iteration of alternating direction implicit procedure of 3-dimension fluid equations in porous media, which possesses the virtues of fast computing speed, needing small memory of computer, good adaptability for heterogeneous media and fast convergence rate. The geological model of channel-sandy reservoir has been generated with the help of stochastic simulation technique, whose cross sections of channel-sandy reservoir are parabolic shapes. This method makes the hard data commendably meet, very suit for geological modeling of containing complex boundary surface reservoir. To verify reliability of the method, theoretical solution and numerical solution are compared by simplifying model of 3-dimension fluid equations in porous media, whose results show that the only difference of the two pressure curves is that the numerical solution is lower than theoretical at the wellbore in the same space. It proves that using finite difference to solve fluid equations in porous media is reliable. As numerical examples of 3-dimension heterogeneous reservoir of the single-well and multi-well, the pressure distributions have been computed respectively, which show the pressure distributions there are clearly difference as difference of the permeabilities is greater than one order of magnitude, otherwise there are no clearly difference. As application, the pressure distribution of the channel-sandy reservoir have been computed, which indicates that the space distribution of pressure strongly relies on the direction of permeability, and is sensitive for space distributions of permeability. In this dissertation, the Peaceman's equations have been modified into solving vertical well problem and horizontal well problem simultaneously. In porous media, a 3D layer reservoir in which contain vertical wells and horizontal wells has been calculated with iteration. For channel-sandy reservoir in which there are also vertical wells and horizontal wells, a 3D transient heterogeneous fluid equation has been discretized. As an example, the space distribution of pressure has been calculated with iteration. The results of examples are accord with the fact, which shows the modification of Peaceman's equation is correct. The problem has been solved in the space where there are vertical and horizontal wells. In the dissertation, the nonuniform grid permeability integration equation upscaling method, the nonuniform grid 2D flow rate upscaling method and the nonuniform grid 3D flow rate upscaling method have been studied respectively. In those methods, they enhance computing speed greatly, but the computing speed of 3D flow rate upscaling method is faster than that of 2D flow rate upscaling method, and the precision of 3D flow rate upscaling method is better than that of 2D flow rate upscaling method. The results also show that the solutions of upscaling method are very approximating to that of fine grid blocks. In this paper, 4 methods of fast adaptive nonuniform grid upscaling method of 3D fluid equations in porous media have been put forward, and applied to calculate 3D heterogeneous reservoir and channel-sandy reservoir, whose computing results show that the solutions of nonuniform adaptive upscaling method of 3D heterogeneous fluid equations in porous media are very approximating to that of fine grid blocks in the regions the permeability or porosity being abnormity and very approximating to that of coarsen grid blocks in the other region, however, the computing speed of adaptive upscaling method is 100 times faster than that of fine grid block method. The formula of sensitivity coefficients are derived from initial boundary value problems of fluid equations in porous media by Green's reciprocity principle. The sensitivity coefficients of wellbore pressure to permeability parameters are given by Peaceman's equation and calculated by means of numerical calculation method of 3D transient anisotropic fluid equation in porous media and verified by direct method. The computing results are in excellent agreement with those obtained by the direct method, which shows feasibility of the method. In the dissertation, the calculating examples are also given for 3D reservoir, channel-sandy reservoir and 3D multi-well reservoir, whose numerical results indicate: around the well hole, the value of the sensitivity coefficients of permeability is very large, the value of the sensitivity coefficients of porosity is very large too, but the sensitivity coefficients of porosity is much less than the sensitivity coefficients of permeability, so that the effect of the sensitivity coefficients of permeability for inversion of reservoir parameters is much greater than that of the sensitivity coefficients of porosity. Because computing the sensitivity coefficients needs to call twice the program of reservoir simulation in one iteration, realizing inversion of reservoir parameters must be sustained by the fast forward method. Using the sensitivity coefficients of permeability and porosity, conditioned on observed valley erosion thickness in wells (hard data), the inversion of the permeabilities and porosities in the homogeneous reservoir, homogeneous reservoir only along the certain direction and block reservoir are implemented by Gauss-Newton method or conjugate gradient method respectively. The results of our examples are very approximating to the real data of permeability and porosity, but the convergence rate of conjugate gradient method is much faster than that of Gauss-Newton method.

A novel method to synthesize amorphous silica-alumina materials with mesoporous distribution without using templates and pore-regulating agents

In this study, a novel sol-gel method is used to synthesize amorphous silica-alumina materials with a narrow mesoporous distribution and various Si/Al molar ratios without using any templates and pore-regulating agents. During the preparation procedure, only inexpensive inorganic salts were used as raw materials, instead of expensive and harmful alkoxides. The precursor sol was dried at room temperature in a vacuum box kept at 60 mmHg until it began to form the gel. The results of a nitrogen sorption experiment indicate that the synthesized materials with different Si/Al molar ratios have similar mesoporous distributions (within 2-12 nm). Moreover, it was found that the material's pore size distribution remains at a similar value during the heat treatment from room temperature to 550 degreesC. On the basis of the nitrogen sorption, TEM, and AFM characterization results, a formation mechanism of mesopores which accounts for the experimental data is also suggested. This suggested mechanism involves rearrangement of the primary particles during the drying process to form the precursors of the similarly sized mesopores. The synthesized materials were characterized by XRD, thermal analysis (TG/DTA), Al-27 and Si-29 MAS NMR spectroscopy, SEM, TEM, and AFM. The results of Al-27 and 29Si MAS NMR indicate that the distribution of silicon and aluminum in the synthesized materials is more uniform and homogeneous than that in the mixed oxides prepared via the traditional sol-gel method even at high alumina contents. The type and density of the acid sites were studied using pyridine adsorption-desorption FTIR spectroscopy. It was shown that the acidity of the synthesized materials is higher than that of the silica-alumina materials prepared by conventional methods.