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computational schemeS FOR THE PROCESSES OF CONVECTIVE-DIFFUSION TRANSPORT OF WATER-SOLUBLE COMPOUNDS

JOURNAL OF ENGINEERING PHYSICS AND THERMOPHYSICS 2010年第5期83卷 922-928页

作者： Brovka, G. P. Dorozhok, I. N. Ivanov, S. N. Natl Acad Sci Belarus Nat Management Inst 10 Skorina Str Minsk 220114 BELARUS

We have developed and tested computational schemes for a one-dimensional equation of convective-diffusion transport of water-soluble compounds providing results satisfactory for practical purposes for various forms of... 详细信息

关键词： convection diffusion water-soluble compounds computational scheme numerical dispersion

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Impact-parameter-dependent electronic stopping of swift ions

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EUROPEAN PHYSICAL JOURNAL D 2010年第1期56卷 41-50页

作者： Schinner, A. Sigmund, P. Johannes Kepler Univ Linz Inst Expt Phys A-4040 Linz Austria Univ So Denmark Dept Chem & Phys DK-5230 Odense M Denmark

A computational scheme has been developed to estimate the mean electronic energy loss of an incident swift ion on an atomic target as a function of the impact parameter between the moving nuclei. The theoretical basis is binary stopping theory. In order to extract impact-parameter dependencies it was necessary to incorporate the spatial distribution of the target electrons. This distribution is immaterial for the stopping cross section and straggling parameter. Incorporating it into the existing formalism involves additional numerical integrations. The emphasis in the present paper is laid on verifying the reliability of the scheme. Existing theoretical estimates with comparable input are based on the Born approximation and, more or less explicitly, refer to incident protons. Since the present estimates are based on classical stopping theory, a rough inverse-Bloch correction has been developed to ensure a meaningful comparison. Good agreement is obtained in general, and where discrepancies are found, their origin, whether in the present scheme or the Born approximation, is discussed. The formalism incorporates the Barkas-Andersen effect as well as screening and shell corrections. While these effects play determining roles in the stopping cross section, illustrating their role in the impact-parameter dependence reveals interesting qualitative features, in particular in the dependence on ion charge.

关键词： computational integrations dependence ion charge IMPACT PARAMETER stopping cross-section Electronics energy losses scheme computational scheme DEPENDENCE Born approximation Ions formalism

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A numerical approach for analyzing higher harmonic generation in multilayer nanostructures

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JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS 2010年第5期27卷 1118-1130页

作者： Paul, Thomas Rockstuhl, Carsten Lederer, Falk Univ Jena Inst Condensed Matter Theory & Solid State Opt D-07743 Jena Germany

We introduce a computational scheme for analyzing higher harmonic generation in nonlinear optical periodic nanostructures that are composed of multiple layers. Such nanostructures, i.e., photonic crystals, plasmonic nanostructures, or metamaterials, are currently in the focus of interest to enhance the efficiency of various nonlinear processes. We exploit an adapted Fourier modal method combined with a modified scattering-matrix algorithm to numerically model these processes. We explicitly present a numerically stable formulation of the scheme. The strength and the applicability of the algorithm are outlined at some selected examples. (C) 2010 Optical Society of America

关键词： approach harmonic nanostructures Nanostructure non-linear process computational scheme high-order harmonic left-handed materials

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A generalized higher-order theory for multi-layered, shear-deformable composite plates

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ACTA MECHANICA 2010年第1-2期209卷 85-98页

作者： Fiedler, Lars Lacarbonara, Walter Vestroni, Fabrizio Univ Roma La Sapienza Dipartimento Ingn Strutturale & Geotecn I-00184 Rome Italy

A generalized higher-order theory describing the mechanical behavior of multi-layered composite plates with arbitrary lamination scheme is proposed. Ritz's method is employed to determine the kinematic unknowns expressed in a complete polynomial power series of the thickness-wise coordinate whereas the dependence on the in-plane coordinates is such that the functions satisfy all boundary conditions. The correct constitutive laws of a three-dimensional orthotropic elastic continuum are employed for each individual layer. The convergence and accuracy of the computational scheme are investigated by comparing elastic static and buckling results with analytical or finite element solutions for complex cross- and angle-ply laminates. For further validation of the theory, laminated plates under a transverse pressure are investigated for technically relevant lamination schemes and the associated deformation and stress results are compared with those obtained through FE calculations.

关键词： layer material Mechanical properties computational scheme COMPOSITION BOARD Coordinates multilayers theories higher-order Composites Power series Converge

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Quantum-chemical calculations of the variance of phonons in crystals: Convergence of results depending on cyclic cluster growth

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RUSSIAN JOURNAL OF GENERAL CHEMISTRY 2009年第3期79卷 509-510页

作者： Evarestov, R. A. Losev, M. V. St Petersburg State Univ St Petersburg 198504 Russia

At present ab initio quantum-chemical calculations of phonon spectra of crystals are carried out using cyclic cluster models with imposition of cyclic boundary conditions on a crystal fragment in the form of an extended unit cell [1]. In such model vibrational frequencies are calculated precisely (within the limits of the accepted calculation scheme) for those points of the initial Brillouin zone which have a wave vector comparable with the selected unit cell [2].

关键词： Limit Converge Phonon keylines Brillouin zone cyclic crystals computational scheme phonon spectra unit cell Variance

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MATHEMATICAL STUDIES OF NANOCRYOGENIC REFRIGERATING SYSTEM REALIZING INVERSE STIRLING CYCLE

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CHEMICAL AND PETROLEUM ENGINEERING 2009年第5-6期45卷 290-292页

作者： Tyatyushkin, N. V. Karagusov, V. I. Karagusova, E. E. Karagusova, N. V. Sci & Tech Complex Cryogen Engn NTK Kriogennaya T Omsk Russia Omsk State Tech Univ Omsk Russia

A three-dimensional mathematical model of a nanocryogenic refrigerating system (NCRS) realizing inverse Stirling cycle has been developed. A calculation scheme of NCRS for several modifications differing in characteristic sizes is proposed. A relationship of the refrigeration output of the NCRS with the characteristic size at various cryostatting (refrigerating) temperatures has been derived.

关键词： Thermodynamic cycle Refrigeration systems computational scheme Stirling cycle refrigeration Surgery

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Self-consistent calculation of nuclear photoabsorption cross sections: Finite amplitude method with Skyrme functionals in the three-dimensional real space

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Physical Review C 2009年第4期80卷 044301-044301页

作者： Tsunenori Inakura Takashi Nakatsukasa Kazuhiro Yabana Theoretical Nuclear Physics Laboratory RIKEN Nishina Center Wako 351-0198 Japan

The finite amplitude method (FAM), which we have recently proposed [T. Nakatsukasa, T. Inakura, and K. Yabana, Phys. Rev. C 76, 024318 (2007)], significantly simplifies the fully self-consistent calculation of the random-phase approximation (RPA). This article presents a computational scheme of FAM suitable for systematic investigation and shows its performance for realistic Skyrme energy functionals. We adopt the mixed representation in which the forward and backward RPA amplitudes are represented by index of hole orbitals and of the spatial grid points for the three-dimensional real space. We solve a linear algebraic problem with a sparse non-Hermitian matrix, using an iterative method. We show results of the dipole response for selected spherical and deformed nuclei. The calculated peak energies of the giant dipole resonance well agree with experiments for heavy nuclei. However, they are systematically underestimated for light nuclei. We also discuss the width of the giant dipole resonance in the fully self-consistent RPA calculation.

关键词： Self-consistent calculation nuclear photoabsorption cross sections three-dimensional real space grid point computational scheme FUNCTIONALS RPA calculations iterative methods Real number Giant dipole resonance Amplitude three-dimensional space Finite photoabsorption Cross section

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ANALYSIS OF THE SPECIFIC FEATURES OF LOADING OF THE ELEMENTS OF LANDING GEARS OF AIRCRAFTS AIMED AT THE EVALUATION OF THE LOAD-BEARING CAPACITY OF THE STRUCTURE

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STRENGTH OF MATERIALS 2008年第4期40卷 458-462页

作者： Tsybanev, G. V. Ageev, M. A. Titarenko, R. V. Natl Acad Sci Ukraine Pisarenko Inst Problems Strength Kiev Ukraine Ind Assoc Makarov Yuzhnyi Engn Plant State Enterp Dnepropetrovsk Ukraine

We propose a computational scheme of the aircraft nose landing gear and perform the analysis of weak sections in the landing-gear lever by the finite-element method. We determine the loading modes in which the landing-gear lever is subjected to disproportional cyclic loads, which should be taken into account in the evaluation of the service life and determination of the properties of applied materials.

关键词： landing gear lever computational scheme stressed state limiting state of the material

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Phase-field simulation of mechanical behavior and microstructure evolution during dynamic recrystallization

Phase-field simulation of mechanical behavior and microstruc...

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International Conference on Heterogeneous Material Mechanics (ICHMM)

作者： Takaki, T. Tomita, Y. Kyoto Inst Technol Grad Sch Sci & Technol Sakyo Ku Kyoto 6068585 Japan

ISBN: (纸本)9781932078800

We improved computational efficiency of multi-phase-field (MPF) simulation for dynamic recrystallization (DRX) which occur mechanical and microstructural evolutions simultaneously. It enables us to simulate the DRX process in realistic space size and with high accuracy. The effects of initial grain size on stress-strain relationship and microstructure evolution during DRX are investigated using the developed method.

关键词： dynamic recrystallization phase-field method computational scheme grain size effect

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Solving wave equations by the finite-difference time-domain method: Basic relationships for a two-dimensional problem

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RUSSIAN JOURNAL OF NONDESTRUCTIVE TESTING 2007年第9期43卷 605-618页

作者： Barkhatov, V. A. Russian Acad Sci Ural Div Inst Met Phys Ekaterinburg Russia

The main theoretical relations obtained via application of the finite-difference time-domain (FDTD) method to a 2D acoustic problem are considered within the framework of a model taking into account the anisotropy of elastic properties and the internal friction. A computational algorithm is proposed that realizes a two-fold FDTD calculation scheme and allows the calculation of wave processes in problems with arbitrary complex boundary conditions.

关键词： Wave equation Elastic properties TimeDif Anisotropy computational scheme internal friction Finite difference time domain method FINITE DIFFERENCE TIME DOMAIN

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