Impact of spatial resolution and spatial difference accuracy on the performance of Arakawa A-D grids

This paper alms at illustrating the impact of spatial difference scheme and spatial resolution on the performance of Arakawa A-D grids in physical space. Linear shallow water equations are discretized and forecasted on Arakawa A-D grids for 120-minute using the ordinary second-order (M and fourth-order (C4) finite difference schemes with the grid spacing being 100 km, 10 km and I km, respectively. Then the forecasted results are compared with the exact solution, the result indicates that when the grid spacing is I kin, the inertial gravity wave can be simulated on any grid with the same results from C2 scheme or C4 scheme, namely the impact of variable configuration is neglectable; while the inertial gravity wave is simulated with lengthened grid spacing, the effects of different variable configurations are different. However, whether for C2 scheme or for C4 scheme, the RMS is minimal (maximal) on C (D) grid. At the same time it is also shown that when the difference accuracy increases from C2 scheme to C4 scheme, the resulted forecasts do not uniformly decrease, which is validated by the change of the group A velocity relative error from C2 scheme to C4 scheme. Therefore, the impact of the grid spacing is more important than that of the difference accuracy on the performance of Arakawa A-D grid.

Fourier有限差分法深度偏移与正演模拟

With the development of seismic exploration, the target becomes more and more complex, which leads to a higher demand for the accuracy and efficiency in 3D exploration. Fourier finite-difference (FFD) method is one of the most valuable methods in complex structure exploration, which keeps the ability of finite-differenc method in dealing with laterally varing media and inherits the predominance of the phase-screen method in stablility and efficiency. In this thesis, the accuracy of the FFD operator is highly improved by using simulated annealing algorithm. This method takes the extrapolation step and band width into account, which is more suitable to various band width and discrete scale than the commonely-used optimized method based on velocity contrast alone. In this thesis, the FFD method is extended to viscoacoustic modeling. Based on one-way wave equation, the presented method is implemented in frequency domain; thus, it is more efficient than two-way methods, and is more convenient than time domain methods in handling attenuation and dispersion effects. The proposed method can handle large velocity contrast and has a high efficiency, which is helpful to further research on earth absorption and seismic resolution. Starting from the frequency dispersion of the acoustic VTI wave equation, this thesis extends the FFD migration method to the acoustic VTI media. Compared with the convetional FFD method, the presented method has a similar computational efficiency, and keeps the abilities of dealing with large velocity contrasts and steep dips. The numerical experiments based on the SEG salt model show that the presented method is a practical migration method for complex acoustical VTI media, because it can handle both large velocity contrasts and large anisotropy variations, and its accuracy is relatively high even in strong anisotropic media. In 3D case, the two-way splitting technique of FFD operator causes artificial azimuthal anisotropy. These artifacts become apparent with increasing dip angles and velocity contrasts, which prevent the application of the FFD method in 3D complex media. The current methods proposed to reduce the azimuthal anisotropy significantly increase the computational cost. In this thesis, the alternating-direction-implicit plus interpolation scheme is incorporated into the 3D FFD method to reduce the azimuthal anisotropy. By subtly utilizing the Fourier based scheme of the FFD method, the improved fast algorithm takes approximately no extra computation time. The resulting operator keeps both the accuracy and the efficiency of the FFD method, which is helpful to the inhancements of both the accuracy and the efficiency for prestack depth migration. The general comparison is presented between the FFD operator and the generalized-screen operator, which is valuable to choose the suitable method in practice. The percentage relative error curves and migration impulse responses show that the generalized-screen operator is much sensiutive to the velocity contrasts than the FFD operator. The FFD operator can handle various velocity contrasts, while the generalized-screen operator can only handle some range of the velocity contrasts. Both in large and weak velocity contrasts, the higher order term of the generalized-screen operator has little effect on improving accuracy. The FFD operator is more suitable to large velocity contrasts, while the generalized-screen operator is more suitable to middle velocity contrasts. Both the one-way implicit finite-difference migration and the two-way explicit finite-differenc modeling have been implemented, and then they are compared with the corresponding FFD methods respectively. This work gives a reference to the choosen of proper method. The FFD migration is illustrated to be more attractive in accuracy, efficiency and frequency dispertion than the widely-used implicit finite-difference migration. The FFD modeling can handle relatively coarse grids than the commonly-used explicit finite-differenc modeling, thus it is much faster in 3D modeling, especially for large-scale complex media.

基于广义Lippmann-Schwinger方程的地震波场模拟算法与应用

In the last several decades, due to the fast development of computer, numerical simulation has been an indispensable tool in scientific research. Numerical simulation methods which based on partial difference operators such as Finite Difference Method (FDM) and Finite Element Method (FEM) have been widely used. However, in the realm of seismology and seismic prospecting, one usually meets with geological models which have piece-wise heterogeneous structures as well as volume heterogeneities between layers, the continuity of displacement and stress across the irregular layers and seismic wave scattering induced by the perturbation of the volume usually bring in error when using conventional methods based on difference operators. The method discussed in this paper is based on elastic theory and integral theory. Seismic wave equation in the frequency domain is transformed into a generalized Lippmann-Schwinger equation, in which the seismic wavefield contributed by the background is expressed by the boundary integral equation and the scattering by the volume heterogeneities is considered. Boundary element-volume integral method based on this equation has advantages of Boundary Element Method (BEM), such as reducing one dimension of the model, explicit use the displacement and stress continuity across irregular interfaces, high precision, satisfying the boundary at infinite, etc. Also, this method could accurately simulate the seismic scattering by the volume heterogeneities. In this paper, the concrete Lippmann-Schwinger equation is specifically given according to the real geological models. Also, the complete coefficients of the non-smooth point for the integral equation are introduced. Because Boundary Element-Volume integral equation method uses fundamental solutions which are singular when the source point and the field are very close，both in the two dimensional and the three dimensional case, the treatment of the singular kernel affects the precision of this method. The method based on integral transform and integration by parts could treat the points on the boundary and inside the domain. It could transform the singular integral into an analytical one both in two dimensional and in three dimensional cases and thus it could eliminate the singularity. In order to analyze the elastic seismic wave scattering due to regional irregular topographies, the analytical solution for problems of this type is discussed and the analytical solution of P waves by multiple canyons is given. For the boundary reflection, the method used here is infinite boundary element absorbing boundary developed by a pervious researcher. The comparison between the analytical solutions and concrete numerical examples validate the efficiency of this method. We thoroughly discussed the sampling frequency in elastic wave simulation and find that, for a general case, three elements per wavelength is sufficient, however, when the problem is too complex, more elements per wavelength are necessary. Also, the seismic response in the frequency domain of the canyons with different types of random heterogeneities is illustrated. We analyzed the model of the random media, the horizontal and vertical correlation length, the standard deviation, and the dimensionless frequency how to affect the seismic wave amplification on the ground, and thus provide a basis for the choice of the parameter of random media during numerical simulation.

南海张裂大陆边缘数值模拟研究

The South China Sea (SCS) is one of the largest marginal seas in the western Pacific, which is located at the junction of Eurasian plate, Pacific plate and Indian-Australian plate. It was formed by continent breakup and sea-floor spreading in Cenozoic. The complicated interaction among the three major plates made tectonic movement complex and geological phenomena very rich in this area. The SCS is an ideal place to study the formation and evolution of rifted continental margin and sea-floor spreading since it is old enough to have experienced the major stages of the basin evolution but still young enough to have preserved its original nature. As the demand for energy grows day by day in our country, the deep water region of the northern continental margin in the SCS has become a focus of oil and gas exploration because of its huge hydrocarbon potential. Therefore, to study the rifted continental margin of the SCS not only can improve our understanding of the formation and evolution processes of rifted continental margin, but also can provide theoretical support for hydrocarbon exploration in rifted continental margin. This dissertation mainly includes five topics as follows: (1) Various classic lithosphere stretching models are reviewed, and the continuous non-uniform stretching model is modified to make it suitable for the case where the extension of lithopheric mantle exceeds that of the crust. Then simple/pure shear flexural cantilever model is applied to model the basement geometries of SO49-18 profile in the northern continental margin of the SCS. By fitting the basements obtained by using 2DMove software with modeling results, it is found that the reasonable effective elastic thickness is less than 5km in this region. According to this result, it is assumed that there is weak lower crust in the northern continental margin in the SCS. (2) We research on the methods for stretching factor estimation based on various lithosphere stretching models, and apply the method based on multiple finite rifting model to estimate the stretching factors of several wells and profiles in the northern continental margin of the SCS. (3) We improve one-dimension strain rate inversion method with conjugate gradient method, and apply it to invert the strain rate of several wells in the northern continental margin of the SCS. Two-dimension strain rate forward modeling is carried out, and the modeling results show that effective elastic thickness is a key parameter to control basin’s geometry. (4) We simulate divergent upwelling mantle flow model using finite difference method, and apply this newly developed model to examine the formation mechanism of the northwest and central sub-basin in the SCS. (5) We inverse plate thickness and basal temperature of oceanic lithosphere using sea-floor ages and bathymetries of the North Pacific and the North Atlantic based on varied-parameters plate model, in which the heat conductivity, heat capacity and coefficient of thermal expansion depend on temperature or depth. A new empirical formula is put forward based the inversed parameters, which depicts the relation among sea-floor age, bathymetry and heat flow. Then various similar empirical formulae, including the newly developed one, are applied to examine the sea-floor spread issue in the SCS based on the heat flow and bathymetry data of the abyssal sub-basin.

Computing a Uniform Scaling Parameter for 3D Registration of Lung Surfaces

A difficulty in lung image registration is accounting for changes in the size of the lungs due to inspiration. We propose two methods for computing a uniform scale parameter for use in lung image registration that account for size change. A scaled rigid-body transformation allows analysis of corresponding lung CT scans taken at different times and can serve as a good low-order transformation to initialize non-rigid registration approaches. Two different features are used to compute the scale parameter. The first method uses lung surfaces. The second uses lung volumes. Both approaches are computationally inexpensive and improve the alignment of lung images over rigid registration. The two methods produce different scale parameters and may highlight different functional information about the lungs.

Viscoelastic flow through a planar contraction using a semi-Lagrangian finite volume method

A semi-Lagrangian finite volume scheme for solving viscoelastic flow problems is presented. A staggered grid arrangement is used in which the dependent variables are located at different mesh points in the computational domain. The convection terms in the momentum and constitutive equations are treated using a semi-Lagrangian approach in which particles on a regular grid are traced backwards over a single time-step. The method is applied to the 4 : 1 planar contraction problem for an Oldroyd B fluid for both creeping and inertial flow conditions. The development of vortex behaviour with increasing values of We is analyzed.

Open ended microwave oven for packaging

A novel open waveguide cavity resonator is presented for the combined variable frequency microwave curing of bumps, underfills and encapsulants, as well as the alignment of devices for fast flip-chip assembly, direct chip attach (DCA) or wafer-scale level packaging (WSLP). This technology achieves radio frequency (RF) curing of adhesives used in microelectronics, optoelectronics and medical devices with potential simultaneous micron-scale alignment accuracy and bonding of devices. In principle, the open oven cavity can be fitted directly onto a flip-chip or wafer scale bonder and, as such, will allow for the bonding of devices through localised heating thus reducing the risk to thermally sensitive devices. Variable frequency microwave (VFM) heating and curing of an idealised polymer load is numerically simulated using a multi-physics approach. Electro-magnetic fields within a novel open ended microwave oven developed for use in micro-electronics manufacturing applications are solved using a dedicated Yee scheme finite-difference time-domain (FDTD) solver. Temperature distribution, degree of cure and thermal stresses are analysed using an Unstructured Finite Volume method (UFVM) multi-physics package. The polymer load was meshed for thermophysical analysis, whilst the microwave cavity - encompassing the polymer load - was meshed for microwave irradiation. The two solution domains are linked using a cross mapping routine. The principle of heating using the evanescent fringing fields within the open-end of the cavity is demonstrated. A closed loop feedback routine is established allowing the temperature within a lossy sample to be controlled. A distribution of the temperature within the lossy sample is obtained by using a thermal imaging camera.

Modelling the mechanical response of the Reed-mouthpiece-lip system of a clarinet. Part I. A one-dimensional distributed model

The motion of a clarinet reed that is clamped to a mouthpiece and supported by a lip is simulated in the time-domain using finite difference methods. The reed is modelled as a bar with non-uniform cross section, and is described using a one-dimensional, fourth-order partial differential equation. The interactions with the mouthpiece Jay and the player's lip are taken into account by incorporating conditional contact forces in the bar equation. The model is completed by clamped-free boundary conditions for the reed. An implicit finite difference method is used for discretising the system, and values for the physical parameters are chosen both from laboratory measurements and by accurate tuning of the numerical simulations. The accuracy of the numerical system is assessed through analysis of frequency warping effects and of resonance estimation. Finally, the mechanical properties of the system are studied by analysing its response to external driving forces. In particular, the effects of reed curling are investigated.

Etudes ab initio des effets de la température sur le spectre optique des semi-conducteurs

Thèse réalisée en cotutelle avec l'Université Catholique de Louvain (Belgique)

Time Discretization of the SST-generalized Navier-Stokes Equations: Positive and Negative Results

In the theory of the Navier-Stokes equations, the proofs of some basic known results, like for example the uniqueness of solutions to the stationary Navier-Stokes equations under smallness assumptions on the data or the stability of certain time discretization schemes, actually only use a small range of properties and are therefore valid in a more general context. This observation leads us to introduce the concept of SST spaces, a generalization of the functional setting for the Navier-Stokes equations. It allows us to prove (by means of counterexamples) that several uniqueness and stability conjectures that are still open in the case of the Navier-Stokes equations have a negative answer in the larger class of SST spaces, thereby showing that proof strategies used for a number of classical results are not sufficient to affirmatively answer these open questions. More precisely, in the larger class of SST spaces, non-uniqueness phenomena can be observed for the implicit Euler scheme, for two nonlinear versions of the Crank-Nicolson scheme, for the fractional step theta scheme, and for the SST-generalized stationary Navier-Stokes equations. As far as stability is concerned, a linear version of the Euler scheme, a nonlinear version of the Crank-Nicolson scheme, and the fractional step theta scheme turn out to be non-stable in the class of SST spaces. The positive results established in this thesis include the generalization of classical uniqueness and stability results to SST spaces, the uniqueness of solutions (under smallness assumptions) to two nonlinear versions of the Euler scheme, two nonlinear versions of the Crank-Nicolson scheme, and the fractional step theta scheme for general SST spaces, the second order convergence of a version of the Crank-Nicolson scheme, and a new proof of the first order convergence of the implicit Euler scheme for the Navier-Stokes equations. For each convergence result, we provide conditions on the data that guarantee the existence of nonstationary solutions satisfying the regularity assumptions needed for the corresponding convergence theorem. In the case of the Crank-Nicolson scheme, this involves a compatibility condition at the corner of the space-time cylinder, which can be satisfied via a suitable prescription of the initial acceleration.

Atomistic-continuum modeling of ultrafast laser-induced melting of silicon targets

In this work, we present an atomistic-continuum model for simulations of ultrafast laser-induced melting processes in semiconductors on the example of silicon. The kinetics of transient non-equilibrium phase transition mechanisms is addressed with MD method on the atomic level, whereas the laser light absorption, strong generated electron-phonon nonequilibrium, fast heat conduction, and photo-excited free carrier diffusion are accounted for with a continuum TTM-like model (called nTTM). First, we independently consider the applications of nTTM and MD for the description of silicon, and then construct the combined MD-nTTM model. Its development and thorough testing is followed by a comprehensive computational study of fast nonequilibrium processes induced in silicon by an ultrashort laser irradiation. The new model allowed to investigate the effect of laser-induced pressure and temperature of the lattice on the melting kinetics. Two competing melting mechanisms, heterogeneous and homogeneous, were identified in our big-scale simulations. Apart from the classical heterogeneous melting mechanism, the nucleation of the liquid phase homogeneously inside the material significantly contributes to the melting process. The simulations showed, that due to the open diamond structure of the crystal, the laser-generated internal compressive stresses reduce the crystal stability against the homogeneous melting. Consequently, the latter can take a massive character within several picoseconds upon the laser heating. Due to the large negative volume of melting of silicon, the material contracts upon the phase transition, relaxes the compressive stresses, and the subsequent melting proceeds heterogeneously until the excess of thermal energy is consumed. A series of simulations for a range of absorbed fluences allowed us to find the threshold fluence value at which homogeneous liquid nucleation starts contributing to the classical heterogeneous propagation of the solid-liquid interface. A series of simulations for a range of the material thicknesses showed that the sample width we chosen in our simulations (800 nm) corresponds to a thick sample. Additionally, in order to support the main conclusions, the results were verified for a different interatomic potential. Possible improvements of the model to account for nonthermal effects are discussed and certain restrictions on the suitable interatomic potentials are found. As a first step towards the inclusion of these effects into MD-nTTM, we performed nanometer-scale MD simulations with a new interatomic potential, designed to reproduce ab initio calculations at the laser-induced electronic temperature of 18946 K. The simulations demonstrated that, similarly to thermal melting, nonthermal phase transition occurs through nucleation. A series of simulations showed that higher (lower) initial pressure reinforces (hinders) the creation and the growth of nonthermal liquid nuclei. For the example of Si, the laser melting kinetics of semiconductors was found to be noticeably different from that of metals with a face-centered cubic crystal structure. The results of this study, therefore, have important implications for interpretation of experimental data on the kinetics of melting process of semiconductors.

An adaptive finite element water column model using the Mellor-Yamada level 2.5 turbulence closure scheme

A one-dimensional water column model using the Mellor and Yamada level 2.5 parameterization of vertical turbulent fluxes is presented. The model equations are discretized with a mixed finite element scheme. Details of the finite element discrete equations are given and adaptive mesh refinement strategies are presented. The refinement criterion is an "a posteriori" error estimator based on stratification, shear and distance to surface. The model performances are assessed by studying the stress driven penetration of a turbulent layer into a stratified fluid. This example illustrates the ability of the presented model to follow some internal structures of the flow and paves the way for truly generalized vertical coordinates. (c) 2005 Elsevier Ltd. All rights reserved.

A hybrid data assimilation scheme for model parameter estimation: application to morphodynamic modelling

We present a novel algorithm for joint state-parameter estimation using sequential three dimensional variational data assimilation (3D Var) and demonstrate its application in the context of morphodynamic modelling using an idealised two parameter 1D sediment transport model. The new scheme combines a static representation of the state background error covariances with a flow dependent approximation of the state-parameter cross-covariances. For the case presented here, this involves calculating a local finite difference approximation of the gradient of the model with respect to the parameters. The new method is easy to implement and computationally inexpensive to run. Experimental results are positive with the scheme able to recover the model parameters to a high level of accuracy. We expect that there is potential for successful application of this new methodology to larger, more realistic models with more complex parameterisations.

Introductory remarks

The very first numerical models which were developed more than 20 years ago were drastic simplifications of the real atmosphere and they were mostly restricted to describe adiabatic processes. For prediction of a day or two of the mid tropospheric flow these models often gave reasonable results but the result deteriorated quickly when the prediction was extended further in time. The prediction of the surface flow was unsatisfactory even for short predictions. It was evident that both the energy generating processes as well as the dissipative processes have to be included in numerical models in order to predict the weather patterns in the lower part of the atmosphere and to predict the atmosphere in general beyond a day or two. Present-day computers make it possible to attack the weather forecasting problem in a more comprehensive and complete way and substantial efforts have been made during the last decade in particular to incorporate the non-adiabatic processes in numerical prediction models. The physics of radiational transfer, condensation of moisture, turbulent transfer of heat, momentum and moisture and the dissipation of kinetic energy are the most important processes associated with the formation of energy sources and sinks in the atmosphere and these have to be incorporated in numerical prediction models extended over more than a few days. The mechanisms of these processes are mainly related to small scale disturbances in space and time or even molecular processes. It is therefore one of the basic characteristics of numerical models that these small scale disturbances cannot be included in an explicit way. The reason for this is the discretization of the model's atmosphere by a finite difference grid or the use of a Galerkin or spectral function representation. The second reason why we cannot explicitly introduce these processes into a numerical model is due to the fact that some physical processes necessary to describe them (such as the local buoyance) are a priori eliminated by the constraints of hydrostatic adjustment. Even if this physical constraint can be relaxed by making the models non-hydrostatic the scale problem is virtually impossible to solve and for the foreseeable future we have to try to incorporate the ensemble or gross effect of these physical processes on the large scale synoptic flow. The formulation of the ensemble effect in terms of grid-scale variables (the parameters of the large-scale flow) is called 'parameterization'. For short range prediction of the synoptic flow at middle and high latitudes, very simple parameterization has proven to be rather successful.

Non-orthogonal version of the arbitrary polygonal C-grid and a new diamond grid

Quasi-uniform grids of the sphere have become popular recently since they avoid parallel scaling bottle- necks associated with the poles of latitude–longitude grids. However quasi-uniform grids of the sphere are often non- orthogonal. A version of the C-grid for arbitrary non- orthogonal grids is presented which gives some of the mimetic properties of the orthogonal C-grid. Exact energy conservation is sacrificed for improved accuracy and the re- sulting scheme numerically conserves energy and potential enstrophy well. The non-orthogonal nature means that the scheme can be used on a cubed sphere. The advantage of the cubed sphere is that it does not admit the computa- tional modes of the hexagonal or triangular C-grids. On var- ious shallow-water test cases, the non-orthogonal scheme on a cubed sphere has accuracy less than or equal to the orthog- onal scheme on an orthogonal hexagonal icosahedron. A new diamond grid is presented consisting of quasi- uniform quadrilaterals which is more nearly orthogonal than the equal-angle cubed sphere but with otherwise similar properties. It performs better than the cubed sphere in ev- ery way and should be used instead in codes which allow a flexible grid structure.