990 resultados para Numerical calculation


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A lower-upper symmetric Gauss-Seidel (LU-SGS) subiteration scheme is constructed for time-marching of the fluid equations. The Harten-Lax-van Leer-Einfeldt-Wada (HLLEW) scheme is used for the spatial discretization. The same subiteration formulation is applied directly to the structural equations of motion in generalized coordinates. Through subiteration between the fluid and structural equations, a fully implicit aeroelastic solver is obtained for the numerical simulation of fluid/structure interaction. To improve the ability for application to complex configurations, a multiblock grid is used for the flow field calculation and transfinite interpolation (TFI) is employed for the adaptive moving grid deformation. The infinite plate spline (IPS) and the principal of virtual work are utilized for the data transformation between the fluid and structure. The developed code was first validated through the comparison of experimental and computational results for the AGARD 445.6 standard aeroelastic wing. Then, the flutter character of a tail wing with control surface was analyzed. Finally, flutter boundaries of a complex aircraft configuration were predicted.

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An approach which combines direct numerical simulation (DNS) with the Lighthill acoustic analogy theory is used to study the potential noise sources during the transition process of a Mach 2.25 flat plate boundary layer. The quadrupole sound sources due to the flow fluctuations and the dipole sound sources due to the fluctuating surface stress are obtained. Numerical results suggest that formation of the high shear layers leads to a dramatic amplification of amplitude of the fluctuating quadrupole sound sources. Compared with the quadrupole sound source, the energy of dipole sound source is concentrated in the relatively low frequency range.

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The calculation of settling speed of coarse particles is firstly addressed, with accelerated Stokesian dynamics without adjustable parameters, in which far field force acting on the particle instead of particle velocity is chosen as dependent variables to consider inter-particle hydrodynamic interactions. The sedimentation of a simple cubic array of spherical particles is simulated and compared to the results available to verify and validate the numerical code and computational scheme. The improvedmethod keeps the same computational cost of the order O(N log N) as usual accelerated Stokesian dynamics does. Then, more realistic random suspension sedimentation is investigated with the help ofMont Carlo method. The computational results agree well with experimental fitting. Finally, the sedimentation of finer cohesive particle, which is often observed in estuary environment, is presented as a further application in coastal engineering.

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Photoelectron angular distributions produced in above-threshold ionization (ATI) are analysed using a nonperturbative scattering theory. The numerical results are in good qualitative agreement with recent measurements. Our study shows that the origin of the jet-like structure arises from the inherent properties of the ATI process and not from the angular momentum of either the initial or the excited states of the atom.

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Part I

Several approximate Hartree-Fock SCF wavefunctions for the ground electronic state of the water molecule have been obtained using an increasing number of multicenter s, p, and d Slater-type atomic orbitals as basis sets. The predicted charge distribution has been extensively tested at each stage by calculating the electric dipole moment, molecular quadrupole moment, diamagnetic shielding, Hellmann-Feynman forces, and electric field gradients at both the hydrogen and the oxygen nuclei. It was found that a carefully optimized minimal basis set suffices to describe the electronic charge distribution adequately except in the vicinity of the oxygen nucleus. Our calculations indicate, for example, that the correct prediction of the field gradient at this nucleus requires a more flexible linear combination of p-orbitals centered on this nucleus than that in the minimal basis set. Theoretical values for the molecular octopole moment components are also reported.

Part II

The perturbation-variational theory of R. M. Pitzer for nuclear spin-spin coupling constants is applied to the HD molecule. The zero-order molecular orbital is described in terms of a single 1s Slater-type basis function centered on each nucleus. The first-order molecular orbital is expressed in terms of these two functions plus one singular basis function each of the types e-r/r and e-r ln r centered on one of the nuclei. The new kinds of molecular integrals were evaluated to high accuracy using numerical and analytical means. The value of the HD spin-spin coupling constant calculated with this near-minimal set of basis functions is JHD = +96.6 cps. This represents an improvement over the previous calculated value of +120 cps obtained without using the logarithmic basis function but is still considerably off in magnitude compared with the experimental measurement of JHD = +43 0 ± 0.5 cps.

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Part 1. Many interesting visual and mechanical phenomena occur in the critical region of fluids, both for the gas-liquid and liquid-liquid transitions. The precise thermodynamic and transport behavior here has some broad consequences for the molecular theory of liquids. Previous studies in this laboratory on a liquid-liquid critical mixture via ultrasonics supported a basically classical analysis of fluid behavior by M. Fixman (e. g., the free energy is assumed analytic in intensive variables in the thermodynamics)--at least when the fluid is not too close to critical. A breakdown in classical concepts is evidenced close to critical, in some well-defined ways. We have studied herein a liquid-liquid critical system of complementary nature (possessing a lower critical mixing or consolute temperature) to all previous mixtures, to look for new qualitative critical behavior. We did not find such new behavior in the ultrasonic absorption ascribable to the critical fluctuations, but we did find extra absorption due to chemical processes (yet these are related to the mixing behavior generating the lower consolute point). We rederived, corrected, and extended Fixman's analysis to interpret our experimental results in these more complex circumstances. The entire account of theory and experiment is prefaced by an extensive introduction recounting the general status of liquid state theory. The introduction provides a context for our present work, and also points out problems deserving attention. Interest in these problems was stimulated by this work but also by work in Part 3.

Part 2. Among variational theories of electronic structure, the Hartree-Fock theory has proved particularly valuable for a practical understanding of such properties as chemical binding, electric multipole moments, and X-ray scattering intensity. It also provides the most tractable method of calculating first-order properties under external or internal one-electron perturbations, either developed explicitly in orders of perturbation theory or in the fully self-consistent method. The accuracy and consistency of first-order properties are poorer than those of zero-order properties, but this is most often due to the use of explicit approximations in solving the perturbed equations, or to inadequacy of the variational basis in size or composition. We have calculated the electric polarizabilities of H2, He, Li, Be, LiH, and N2 by Hartree-Fock theory, using exact perturbation theory or the fully self-consistent method, as dictated by convenience. By careful studies on total basis set composition, we obtained good approximations to limiting Hartree-Fock values of polarizabilities with bases of reasonable size. The values for all species, and for each direction in the molecular cases, are within 8% of experiment, or of best theoretical values in the absence of the former. Our results support the use of unadorned Hartree-Pock theory for static polarizabilities needed in interpreting electron-molecule scattering data, collision-induced light scattering experiments, and other phenomena involving experimentally inaccessible polarizabilities.

Part 3. Numerical integration of the close-coupled scattering equations has been carried out to obtain vibrational transition probabilities for some models of the electronically adiabatic H2-H2 collision. All the models use a Lennard-Jones interaction potential between nearest atoms in the collision partners. We have analyzed the results for some insight into the vibrational excitation process in its dependence on the energy of collision, the nature of the vibrational binding potential, and other factors. We conclude also that replacement of earlier, simpler models of the interaction potential by the Lennard-Jones form adds very little realism for all the complication it introduces. A brief introduction precedes the presentation of our work and places it in the context of attempts to understand the collisional activation process in chemical reactions as well as some other chemical dynamics.

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This paper presents a time-stepping shaker modeling scheme. The new method improves the accuracy of analysis of armature-position-dependent inductances and force factors, analysis of axial variation of current density in copper plates (short-circuited turns), and analysis of cooling holes in the magnetic circuit. Linear movement modeling allows armature position to be precisely included in the shaker analysis. A more accurate calculation of eddy currents in the coupled circuit is in particular crucial for the shaker analysis in a mid-or high-frequency operation range. Large currents in a shaker, including eddy currents, incur large Joule losses, which in turn require the use of a cooling system to keep temperature at bay. Sizable cooling holes have influence on the saturation state of iron poles, and hence have to be properly taken into account.

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The frequency range of interest for ground vibration from underground urban railways is approximately 20 to 100 Hz. For typical soils, the wavelengths of ground vibration in this frequency range are of the order of the spacing of train axles, the tunnel diameter and the distance from the tunnel to nearby building foundations. For accurate modelling, the interactions between these entities therefore have to be taken into account. This paper describes an analytical three-dimensional model for the dynamics of a deep underground railway tunnel of circular cross-section. The tunnel is conceptualised as an infinitely long, thin cylindrical shell surrounded by soil of infinite radial extent. The soil is modelled by means of the wave equations for an elastic continuum. The coupled problem is solved in the frequency domain by Fourier decomposition into ring modes circumferentially and a Fourier transform into the wavenumber domain longitudinally. Numerical results for the tunnel and soil responses due to a normal point load applied to the tunnel invert are presented. The tunnel model is suitable for use in combination with track models to calculate the ground vibration due to excitation by running trains and to evaluate different track configurations. © 2006 Elsevier Ltd. All rights reserved.

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The physical meaning and methods of determining loudness were reviewed Loudness is a psychoacoustic metric which closely corresponds to the perceived intensity of a sound stimulus. It can be determined by graphical procedures, numerical methods, or by commercial software. These methods typically require the consideration of the 1/3 octave band spectrum of the sound of interest. The sounds considered in this paper are a 1 kHz tone and pink noise. The loudness of these sounds was calculated in eight ways using different combinations of input data and calculation methods. All the methods considered are based on Zwicker loudness. It was determined that, of the combinations considered, only the commercial software dBSonic and the loudness calculation procedure detailed in DIN 45631 using 1/3 octave band levels filtered using ANSI S1.11-1986 gave the correct values of loudness for a 1 kHz tone. Comparing the results between the sources also demonstrated the difference between sound pressure level and loudness. It was apparent that the calculation and filtering methods must be considered together, as a given calculation will produce different results for different 1/3 octave band input. In the literature reviewed, no reference provided a guide to the selection of the type of filtering that should be used in conjunction with the loudness computation method.

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The finite element method (FEM) is growing in popularity over the pressure diagram/hand calculation method for analysis of excavation systems in general and deep soil mixing excavations in particular. In this paper, a finite element analysis is used to study the behavior of a deep mixed excavation. Through the use of Plaxis (a FEM software program), the construction sequence is simulated by following the various construction phases allowing for deflections due to strut or anchor installation to be predicted. The numerical model used in this study simulates the soil cement columns as a continuous wall matching the bending stiffness of the actual wall. Input parameters based on laboratory tests and modeling assumptions are discussed. An example of the approach is illustrated using the Islais Creek Transport/Storage Project in San Francisco, California. Copyright ASCE 2006.

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Previous studies have reported that different schemes for coupling Monte Carlo (MC) neutron transport with burnup and thermal hydraulic feedbacks may potentially be numerically unstable. This issue can be resolved by application of implicit methods, such as the stochastic implicit mid-point (SIMP) methods. In order to assure numerical stability, the new methods do require additional computational effort. The instability issue however, is problem-dependent and does not necessarily occur in all cases. Therefore, blind application of the unconditionally stable coupling schemes, and thus incurring extra computational costs, may not always be necessary. In this paper, we attempt to develop an intelligent diagnostic mechanism, which will monitor numerical stability of the calculations and, if necessary, switch from simple and fast coupling scheme to more computationally expensive but unconditionally stable one. To illustrate this diagnostic mechanism, we performed a coupled burnup and TH analysis of a single BWR fuel assembly. The results indicate that the developed algorithm can be easily implemented in any MC based code for monitoring of numerical instabilities. The proposed monitoring method has negligible impact on the calculation time even for realistic 3D multi-region full core calculations. © 2014 Elsevier Ltd. All rights reserved.

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One of the main causes of failure of historic buildings is represented by the differential settlements of foundations. Finite element analysis provides a useful tool for predicting the consequences of given ground displacements in terms of structural damage and also assesses the need of strengthening techniques. The actual damage classification for buildings subject to settlement bases the assessment of the potential damage on the expected crack pattern of the structure. In this paper, the correlation between the physical description of the damage in terms of crack width and the interpretation of the finite element analysis output is analyzed. Different discrete and continuum crack models are applied to simulate an experiment carried on a scale model of a masonry historical building, the Loggia Palace in Brescia (Italy). Results are discussed and a modified version of the fixed total strain smeared crack model is evaluated, in order to solve the problem related to the calculation of the exact crack width.

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The effects of gravity and crystal orientation on the dissolution of GaSb into InSb melt and the recrystallization of InGaSb were investigated under microgravity condition using a Chinese recoverable satellite and under normal gravity condition on earth. To investigate the effect of gravity on the solid/liquid interface and compositional profiles. a numerical simulation was carried out. The InSb crystal melted at 525 degrees C and then a part of GaSb dissolved into the InSb melt during heating to 706 degrees C and this process led to the formation of InGaSb solution. InGaSb solidified during the cooling process. The experimental and calculation results clearly show that the shape of the solid/liquid interface and compositional profiles in the solution were significantly affected by gravity. Under microgravity, as the Ga compositional profiles were uniform in the radial direction. the interfaces were almost parallel. On the contrary, for normal gravity condition, as large amounts of Ga moved up in the upper region due to buoyancy, the dissolved zone broadened towards gravitational direction. Also. during the cooling process, needle crystals of InGaSb started appearing and the value of x of InxGa1-xSb crystals increased with the decrease of temperature. The GaSb with the (111)B plane dissolved into the InSb melt much more than that of the (111)A plane. (C) 2000 Elsevier Science B.V. All rights reserved.

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The ground state of a double quantum-dot structure is studied by a simplified Anderson-type model. Numerical calculations reveal that the ground-state level of this artificial molecule increases with the increasing single particle level of the dot, and also increases with the decreasing transfer integrals. We show the staircase feature of the electron occupation and the properties of the ground-state eigenvector by varying the;single particle level of the dot.

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Usually in the calculation of valence subband structure for III-V direct bandgap material, axial approximation had been used in the Luttinger-Kohn model to simplify the computational efforts. In this letter, the valence subband structure for the GaInP/AlGaInP strained and lattice-matched quantum wells was calculated without axial approximation, on the basis of 6x6 Luttinger-Kohn Hamiltonian including strain and spin-orbit splitting effects. The numerical simulation results were presented with help of the finite-difference methods. The calculation results with/without axial approximation were compared and the effect of axial approximation on the valence subband structure was discussed in detail. The results indicated that there was a strong warping in the GaInP valence band, and axial approximation can lead to an error when k was not equal to zero, especially for compressively strained and lattice-matched GaInP/AlGaInP quantum wells.