Topological Characterization of Book Graph and Stacked Book Graph

Degree based topological indices are being widely used in computer-aided modeling, structural activity relations, and drug designing to predict the underlying topological properties of networks and graphs. In this work, we compute the certain important degree based topological indices like Randic index, sum connectivity index, ABC index, ABC₄ index, GA index and GA₅ index of Book graph B_n and Stacked book graph B_m,n. The results are analyzed by using edge partition, and the general formulas are derived for the above-mentioned families of graphs.     

Oxygen potential of hypo-stoichiometric Lu-doped UO2

Oxygen potentials of hypo-stoichiometric Lu-doped UO₂, (U_0.80Lu_0.20)O_2−x, were experimentally investigated by thermogravimetric analysis using H₂O/H₂ gas equilibria at 1173, 1273 and 1473 K. The oxygen potentials of (U,Lu)O_2−x were higher than those of other forms of rare earth-doped UO₂, specifically (U,Nd)O_2−x, (U,Gd)O_2−x, and (U,Er)O_2−x. Slope analyses for plots of oxygen potential versus deviation from stoichiometry indicated that (U_0.80Lu_0.20)O_2−x had a similar defect structure to that of the other forms of rare earth-doped UO₂. A relationship between the effective ionic radii and oxygen potentials was found for the hypo-stoichiometric rare earth-doped UO₂.     

Synthesis of uranium nitride by a mechanically induced gas-solid reaction

A high energy, low-temperature, ball-milling route was used to directly produce uranium nitride. Pure uranium metal particles (∼100 μm) were ball milled under a 420 kPa nitrogen atmosphere for 24 h at ambient temperature to yield phase pure U₂N₃ powder as confirmed by X-ray diffraction and energy dispersive spectroscopy. The median particle size was measured to be approximately 6 μm.     

Enhanced thermal conductivity oxide nuclear fuels by co-sintering with BeO: II. Fuel performance and neutronics

The fuel rod performance and neutronics of enhanced thermal conductivity oxide (ECO) nuclear fuel with BeO have been compared to those of standard UO₂ fuel. The standards of comparison were that the ECO fuel should have the same infinite neutron-multiplication factor k_inf at end of life and provide the same energy extraction per fuel assembly over its lifetime. The BeO displaces some uranium, so equivalence with standard UO₂ fuel was obtained by increasing the burnup and slightly increasing the enrichment. The COPERNIC fuel rod performance code was adapted to account for the effect of BeO on thermal properties. The materials considered were standard UO₂, UO₂ with 4.0 vol.% BeO, and UO₂ with 9.6 vol.% BeO. The smaller amount of BeO was assumed to provide increases in thermal conductivity of 0, 5, or 10%, whereas the larger amount was assumed to provide an increase of 50%. A significant improvement in performance was seen, as evidenced by reduced temperatures, internal rod pressures, and fission gas release, even with modest (5-10%) increases in thermal conductivity. The benefits increased monotonically with increasing thermal conductivity. Improvements in LOCA initialization performance were also seen. A neutronic calculation considered a transition from standard UO₂ fuel to ECO fuel. The calculation indicated that only a small increase in enrichment is required to maintain the k_inf at end of life. The smallness of the change was attributed to the neutron-multiplication reaction of Be with fast neutrons and the moderating effect of BeO. Adoption of ECO fuel was predicted to provide a net reduction in uranium cost. Requirements for industrial hygiene were found to be comparable to those for processing of UO₂.     

Novel plating solution for electroless deposition of gold film onto glass surface

In this paper, a simple and environmentally friendly electroless plating solution of chloroauric acid (HAuCl₄) and hydrogen peroxide (H₂O₂) for depositing gold film onto (3-aminopropyl)-trimethoxysilane (APTMS) -coated glass surface has been developed. APTMS as an adhesive reagent was used to attach the gold nanoparticles (AuNPs) onto the glass substrate. These AuNPs could be regarded as the preferential nucleation or catalytic sites for gold electroless reduction, which accelerated the reduction of Au³⁺ on the glass surface and effectively prevented the formation of gold metal in the bulk solution. During the gold plating process, H₂O₂ as the reducing agent was thermodynamically capable of reducing Au³⁺ ions from the HAuCl₄ precursor to gold atoms, which deposited onto the glass surface and finally formed the continuous gold film. The resulting gold film was characterized with X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM) and atomic force microscope (AFM), respectively.     

Improvement of the electrical performance of near UV GaN-based light-emitting diodes using Ni nanodots

We report on the improvement of the electrical characteristics of GaN-based light-emitting diodes (LEDs) fabricated with Ag (1 nm)/indium tin oxide (ITO) (250 nm) p-type contacts by using Ni nanodots. As-deposited Ag/ITO contacts with and without the Ni nanodots give non-linear electrical behaviour. However, annealing the samples at 530–630 °C for 1 min in air results in ohmic behaviour. The reverse leakage current characteristics of near UV LEDs are much improved when the Ni nanodots are used. The output power (at 20 mA) of LEDs fabricated with the Ni nanodots is enhanced by a factor of 1.34 as compared with that of LEDs made without the Ni nanodots.     

KANTBP: A program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach

A FORTRAN 77 program is presented which calculates energy values, reaction matrix and corresponding radial wave functions in a coupled-channel approximation of the hyperspherical adiabatic approach. In this approach, a multi-dimensional Schrödinger equation is reduced to a system of the coupled second-order ordinary differential equations on the finite interval with homogeneous boundary conditions of the third type. The resulting system of radial equations which contains the potential matrix elements and first-derivative coupling terms is solved using high-order accuracy approximations of the finite-element method. As a test desk, the program is applied to the calculation of the energy values and reaction matrix for an exactly solvable 2D-model of three identical particles on a line with pair zero-range potentials.

Program summary

Program title: KANTBPCatalogue identifier: ADZH_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADZH_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 4224No. of bytes in distributed program, including test data, etc.: 31 232Distribution format: tar.gzProgramming language: FORTRAN 77Computer: Intel Xeon EM64T, Alpha 21264A, AMD Athlon MP, Pentium IV Xeon, Opteron 248, Intel Pentium IVOperating system: OC Linux, Unix AIX 5.3, SunOS 5.8, Solaris, Windows XPRAM: depends on (a) the number of differential equations; (b) the number and order of finite-elements; (c) the number of hyperradial points; and (d) the number of eigensolutions required. Test run requires 30 MBClassification: 2.1, 2.4External routines: GAULEG and GAUSSJ [W.H. Press, B.F. Flanery, S.A. Teukolsky, W.T. Vetterley, Numerical Recipes: The Art of Scientific Computing, Cambridge University Press, Cambridge, 1986]Nature of problem: In the hyperspherical adiabatic approach [J. Macek, J. Phys. B 1 (1968) 831-843; U. Fano, Rep. Progr. Phys. 46 (1983) 97-165; C.D. Lin, Adv. Atom. Mol. Phys. 22 (1986) 77-142], a multi-dimensional Schrödinger equation for a two-electron system [A.G. Abrashkevich, D.G. Abrashkevich, M. Shapiro, Comput. Phys. Comm. 90 (1995) 311-339] or a hydrogen atom in magnetic field [M.G. Dimova, M.S. Kaschiev, S.I. Vinitsky, J. Phys. B 38 (2005) 2337-2352] is reduced by separating the radial coordinate ρ from the angular variables to a system of second-order ordinary differential equations which contain potential matrix elements and first-derivative coupling terms. The purpose of this paper is to present the finite-element method procedure based on the use of high-order accuracy approximations for calculating approximate eigensolutions for such systems of coupled differential equations.Solution method: The boundary problems for coupled differential equations are solved by the finite-element method using high-order accuracy approximations [A.G. Abrashkevich, D.G. Abrashkevich, M.S. Kaschiev, I.V. Puzynin, Comput. Phys. Comm. 85 (1995) 40-64]. The generalized algebraic eigenvalue problem AF=EBF with respect to pair unknowns (E,F) arising after the replacement of the differential problem by the finite-element approximation is solved by the subspace iteration method using the SSPACE program [K.J. Bathe, Finite Element Procedures in Engineering Analysis, Englewood Cliffs, Prentice-Hall, New York, 1982]. The generalized algebraic eigenvalue problem (A−EB)F=λDF with respect to pair unknowns (λ,F) arising after the corresponding replacement of the scattering boundary problem in open channels at fixed energy value, E, is solved by the LDLT factorization of symmetric matrix and back-substitution methods using the DECOMP and REDBAK programs, respectively [K.J. Bathe, Finite Element Procedures in Engineering Analysis, Englewood Cliffs, Prentice-Hall, New York, 1982]. As a test desk, the program is applied to the calculation of the energy values and reaction matrix for an exactly solvable 2D-model of three identical particles on a line with pair zero-range potentials described in [Yu. A. Kuperin, P.B. Kurasov, Yu.B. Melnikov, S.P. Merkuriev, Ann. Phys. 205 (1991) 330-361; O. Chuluunbaatar, A.A. Gusev, S.Y. Larsen, S.I. Vinitsky, J. Phys. A 35 (2002) L513-L525; N.P. Mehta, J.R. Shepard, Phys. Rev. A 72 (2005) 032728-1-11; O. Chuluunbaatar, A.A. Gusev, M.S. Kaschiev, V.A. Kaschieva, A. Amaya-Tapia, S.Y. Larsen, S.I. Vinitsky, J. Phys. B 39 (2006) 243-269]. For this benchmark model the needed analytical expressions for the potential matrix elements and first-derivative coupling terms, their asymptotics and asymptotics of radial solutions of the boundary problems for coupled differential equations have been produced with help of a MAPLE computer algebra system.Restrictions: The computer memory requirements depend on:

•

(a) the number of differential equations;

•

(b) the number and order of finite-elements;

•

(c) the total number of hyperradial points; and

•

(d) the number of eigensolutions required.

Restrictions due to dimension sizes may be easily alleviated by altering PARAMETER statements (see Long Write-Up and listing for details). The user must also supply subroutine POTCAL for evaluating potential matrix elements. The user should supply subroutines ASYMEV (when solving the eigenvalue problem) or ASYMSC (when solving the scattering problem) that evaluate the asymptotics of the radial wave functions at the right boundary point in case of a boundary condition of the third type, respectively.Running time: The running time depends critically upon:

•

(a) the number of differential equations;

•

(b) the number and order of finite-elements;

•

(c) the total number of hyperradial points on interval [0,ρmax]; and

•

(d) the number of eigensolutions required.

The test run which accompanies this paper took 28.48 s without calculation of matrix potentials on the Intel Pentium IV 2.4 GHz.     

Pressurized heavy water reactor fuel behaviour in power ramp conditions

In order to check and improve the quality of the Romanian CANDU fuel, an assembly of six CANDU fuel rods has been subjected to a power ramping test in the 14 MW TRIGA reactor at INR. After testing, the fuel rods have been examined in the hot cells using post-irradiation examination (PIE) techniques such as: visual inspection and photography, eddy current testing, profilometry, gamma scanning, fission gas release and analysis, metallography, ceramography, burn-up determination by mass spectrometry, mechanical testing. This paper describes the PIE results from one out of the six fuel rods. The PIE results concerning the integrity, dimensional changes, oxidation, hydriding and mechanical properties of the sheath, the fission-products activity distribution in the fuel column, the pressure, volume and composition of the fission gas, the burn-up, the isotopic composition and structural changes of the fuel enabled the characterization of the behaviour of the Romanian CANDU fuel in power ramping conditions performed in the TRIGA materials testing reactor.     

Electron-positronium scattering in Debye plasma environment

Electron-positronium scattering has been investigated in the Debye plasma environment employing the close-coupling approximation. Three models, viz. 3-state CCA, 6-state CCA and 9-state CCA, have been employed. The 2s²¹S^e autodetaching resonant state of the positronium negative ion has been successfully predicted for various plasma environments. The position of the resonance for different Debye lengths are in close agreement with those of Kar and Ho [S. Kar, Y.K. Ho, Phys. Rev. A 71 (2005) 052503].