Formação de nanopadrões em superfícies por sputtering iônico: Estudo numérico da equação anisotrópica amortecida de Kuramoto-Sivashinsky.

Apresenta-se uma abordagemnumérica para ummodelo que descreve a formação de padrões por sputtering iônico na superfície de ummaterial. Esse processo é responsável pela formação de padrões inesperadamente organizados, como ondulações, nanopontos e filas hexagonais de nanoburacos. Uma análise numérica de padrões preexistentes é proposta para investigar a dinâmica na superfície, baseada em ummodelo resumido em uma equação anisotrópica amortecida de Kuramoto-Sivashinsky, em uma superfície bidimensional com condições de contorno periódicas. Apesar de determinística, seu caráter altamente não-linear fornece uma rica gama de resultados, sendo possível descrever acuradamente diferentes padrões. Umesquema semi implícito de diferenças finitas com fatoração no tempo é aplicado na discretização da equação governante. Simulações foram realizadas com coeficientes realísticos relacionados aos parâmetros físicos (anisotropias, orientação do feixe, difusão). A estabilidade do esquema numérico foi analisada por testes de passo de tempo e espaçamento de malha, enquanto a verificação do mesmo foi realizada pelo Método das Soluções Manufaturadas. Ondulações e padrões hexagonais foram obtidos a partir de condições iniciais monomodais para determinados valores do coeficiente de amortecimento, enquanto caos espaço-temporal apareceu para valores inferiores. Os efeitos anisotrópicos na formação de padrões foramestudados, variando o ângulo de incidência.

Implementação paralelizada de métodos de resolução de sistemas algébricos na simulação de reservatórios de gás

Desde a década de 1960, devido à pertinência para a indústria petrolífera, a simulação numérica de reservatórios de petróleo tornou-se uma ferramenta usual e uma intensa área de pesquisa. O principal objetivo da modelagem computacional e do uso de métodos numéricos, para a simulação de reservatórios de petróleo, é o de possibilitar um melhor gerenciamento do campo produtor, de maneira que haja uma maximização na recuperação de hidrocarbonetos. Este trabalho tem como objetivo principal paralelizar, empregando a interface de programação de aplicativo OpenMP (Open Multi-Processing), o método numérico utilizado na resolução do sistema algébrico resultante da discretização da equação que descreve o escoamento monofásico em um reservatório de gás, em termos da variável pressão. O conjunto de equações governantes é formado pela equação da continuidade, por uma expressão para o balanço da quantidade de movimento e por uma equação de estado. A Equação da Difusividade Hidráulica (EDH), para a variável pressão, é obtida a partir deste conjunto de equações fundamentais, sendo então discretizada pela utilização do Método de Diferenças Finitas, com a escolha por uma formulação implícita. Diferentes testes numéricos são realizados a fim de estudar a eficiência computacional das versões paralelizadas dos métodos iterativos de Jacobi, Gauss-Seidel, Sobre-relaxação Sucessiva, Gradientes Conjugados (CG), Gradiente Biconjugado (BiCG) e Gradiente Biconjugado Estabilizado (BiCGStab), visando a uma futura aplicação dos mesmos na simulação de reservatórios de gás. Ressalta-se que a presença de heterogeneidades na rocha reservatório e/ou às não-linearidades presentes na EDH para o escoamento de gás aumentam a necessidade de métodos eficientes do ponto de vista de custo computacional, como é o caso de estratégias usando OpenMP.

Modelling of long-term ground response to tunnelling under St James's Park, London

Following a tunnel excavation in low-permeability soil, it is commonly observed that the ground surface continues to settle and ground loading on the tunnel lining changes, as the pore pressures in the ground approach a new equilibrium condition. The monitored ground response following the tunnelling under St James's Park, London, shows that the mechanism of subsurface deformation is composed of three different zones: swelling, consolidation and rigid body movement. The swelling took place in a confined zone above the tunnel crown, extending vertically to approximately 5 m above it. On the sides of the tunnel, the consolidation of the soil occurred in the zone primarily within the tunnel horizon, from the shoulder to just beneath the invert, and extending laterally to a large offset from the tunnel centreline. Above these swelling and consolidation zones the soil moved downward as a rigid body. In this study, soil-fluid coupled three-dimensional finite element analyses were performed to simulate the mechanism of long-term ground response monitored at St James's Park. An advanced critical state soil model, which can simulate the behaviour of London Clay in both drained and undrained conditions, was adopted for the analyses. The analysis results are discussed and compared with the field monitoring data. It is found that the observed mechanism of long-term subsurface ground and tunnel lining response at St James's Park can be simulated accurately only when stiffness anisotropy, the variation of permeability between different units within the London Clay and non-uniform drainage conditions for the tunnel lining are considered. This has important implications for future prediction of the long-term behaviour of tunnels in clays.

Vortex deformation and breaking in superconductors: a microscopic description

Vortex breaking has traditionally been studied for non-uniform critical current densities, although it may also appear due to non-uniform pinning force distributions. In this article we study the case of a high-pinning/low-pinning/high-pinning layered structure. We have developed an elastic model for describing the deformation of a vortex in these systems in the presence of a uniform transport current density J for any arbitrary orientation of the transport current and the magnetic field. If J is above a certain critical value, J(c), the vortex breaks and a finite effective resistance appears. Our model can be applied to some experimental configurations where vortex breaking naturally exists. This is the case for YBa2Cu3O7-delta (YBCO) low-angle grain boundaries and films on vicinal substrates, where the breaking is experienced by Abrikosov-Josephson vortices (AJV) and Josephson string vortices (SV), respectively. With our model, we have experimentally extracted some intrinsic parameters of the AJV and SV, such as the line tension is an element of(l) and compared it to existing predictions based on the vortex structure.

Magnetically-actuated artificial cilia for microfluidic propulsion.

In this paper we quantitatively analyse the performance of magnetically-driven artificial cilia for lab-on-a-chip applications. The artificial cilia are fabricated using thin polymer films with embedded magnetic nano-particles and their deformation is studied under different external magnetic fields and flows. A coupled magneto-mechanical solid-fluid model that accurately captures the interaction between the magnetic field, cilia and fluid is used to simulate the cilia motion. The elastic and magnetic properties of the cilia are obtained by fitting the results of the computational model to the experimental data. The performance of the artificial cilia with a non-uniform cross-section is characterised using the numerical model for two channel configurations that are of practical importance: an open-loop and a closed-loop channel. We predict that the flow and pressure head generated by the artificial cilia can be as high as 18 microlitres per minute and 3 mm of water, respectively. We also study the effect of metachronal waves on the flow generated and show that the fluid propelled increases drastically compared to synchronously beating cilia, and is unidirectional. This increase is significant even when the phase difference between adjacent cilia is small. The obtained results provide guidelines for the optimal design of magnetically-driven artificial cilia for microfluidic propulsion.

CdS/CdSe lateral heterostructure nanobelts by a two-step physical vapor transport method.

The two-dimensional heterostructure nanobelts with a central CdSe region and lateral CdS structures are synthesized by a two-step physical vapor transport method. The large growth rate difference between lateral CdS structures on both +/- (0001) sides of the CdSe region is found. The growth anisotropy is discussed in terms of the polar nature of the side +/- (0001) surfaces of CdSe. High-resolution transmission electron microscopy reveals the CdSe central region covered with non-uniform CdS layer/islands. From micro-photoluminescence measurements, a systematic blueshift of emission energy from the central CdSe region in accordance with the increase of lateral CdS growth temperature is observed. This result indicates that the intermixing rate in the CdSe region with CdS increases with the increase of lateral CdS growth temperature. In conventional CdSSe ternary nanostructures, morphology and emission wavelength were correlated parameters. However, the morphology and emission wavelength are independently controllable in the CdS/CdSe lateral heterostructure nanobelts. This structure is attractive for applications in visible optoelectronic devices.

Numerical study of sub-wavelength plasmonic waveguide

The authors present an analysis of a plasmonic waveguide, simulated using a two-dimensional finite-difference time-domain technique. With the surface structures located on the surface of the metal, the device is able to confine and guide light waves in a sub-wavelength scale. And two waveguides can be placed within 150 nm (similar to 6% of the incident wavelength) that will helpful for the optoelectronic integration. Within the 20 mu m simulation region, it is found that the intensity of the guided light at the interface is roughly two to four times the peak intensity of the incident light, and the propagation length can reach approximately 40 Pm at the wavelength of 2.44 mu m. (c) 2007 Elsevier B.V. All rights reserved.

Resonant Enhanced Wave Filter and Waveguide via Surface Plasmons

The authors present an analysis of plasmonic wave filter and curved waveguide, simulated using a 2-D finite-difference time-domain technique. With different dielectric materials or surface structures located on the interface of the metal/dielectric, the resonant enhanced wave filter can divide light waves of different wavelengths and guide them with low losses. And the straight or curved waveguide can confine and guide light waves in a subwavelength scale. Within the 20 mu m simulation region, it is found that the intensity of the guided light at the interface is roughly four times the peak intensity of the incident light.

Analysis of mode characteristics for deformed square resonators by FDTD technique

The mode frequencies and quality factors (Q-factors) in two-dimensional (2-D) deformed square resonators are analyzed by finite-difference time-domain (FDTD) technique. The results show that the deformed square cavities with circular and cut corners have larger Q-factors than the perfect ones at certain conditions. For a square cavity with side length of 2 mu m and refractive index of 3.2, the mode Q-factor can increase 13 times as the perfect corners are replaced by a quarter of circle with radius of 0.3 pm. Furthermore the blue shift with the increasing deformations is found as a result of the reduction in effective resonator area. In square cavities with periodic roughness at sidewalls which maintains the symmetry of the square, the Q-factors of the whisperin gallery (WG)-like modes are still one order of magnitude larger that those of non-WG-like modes. However, the Q-tactors of these two types of modes are of the same order in the square cavity with random roughness. We also find that the rectangular and rhombic deformation largely reduce the Q-factors with the increasing offset and cause the splitting of the doubly degenerate modes due to the breaking of certain symmetry properties.

Effect of dopant concentration on photocatalytic activity of TiO2 film doped by Mn non-uniformly

The thin films of TiO2 doped by Mn non-uniformly were prepared by sol-gel method under process control. In our preceding study, we investigated in detail, the effect of doping mode on the photocatalytic activity of TiO2 films showing that Mn non-uniform doping can greatly enhance the activity. In this study we looked at the effect of doping concentration on the photocatalytic activity of the TiO2 films. In this paper, the thin films were characterized by UV-vis spectrophotometer and electrochemical workstation. The activity of the photocatalyst was also evaluated by photocatalytic degradation rate of aqueous methyl orange under UV radiation. The results illustrate that the TiO2 thin film doped by Mn non-uniformly at the optimal dopant concentration (0.7 at %) is of the highest activity, and on the contrary, the activity of those doped uniformly is decreased. As a comparison, in 80 min, the degradation rate of methyl orange is 62 %, 12 % and 34 % for Mn non-uniform doping film (0.7 at %), the uniform doping film (0.7 at %) and pure titanium dioxide film, respectively. We have seen that, for the doping and the pure TiO2 films, the stronger signals of open circuit potential and transient photocurrent, the better photocatalytic activity. We also discusse the effect of dopant concentration on the photocatalytic activity of the TiO2 films in terms of effective separation of the photon-generated carriers in the semiconductor. (C) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.

森林流域单元水文模型的构建与应用

目前全球缺水、水污染、洪涝灾害以及水土流失仍然非常严重，尤其在我国北方地区。流域水文模型可用来进行不同需水管理的情景分析，为解决我国水问题提供科学依据。分布式水文模型是流域水文模型的发展方向，具有显著特点：1）应用前景广泛，不仅可以模拟流域水文过程，还可以协助模拟泥沙或污染物的运移过程，为水利工程设计、水土保持、环境保护等领域提供技术支持；2）能够预测流域土地利用或气候变化下的流域水文响应过程变化，为管理部门提供决策支持；3）模型所需要的参数全部具有物理意义，可通过实际测量确定，适合模拟实测系列较短或是无观测流域的水文过程；4）对于目前国际水文界的前沿问题—水文尺度转换提供了一种有效的解决途径。 然而分布式水文模型还不完善，如1)真实性问题。对一些水文过程和边界条件还不确定。2)尺度转换问题。目前很少考虑尺度对参数有效性的影响。3)检验问题。还无法判断对有些难以测量的水文状态变量的模拟正确与否。4)计算时间和数据存储的问题。有些分布式水文模型虽然具有很强的水文物理基础和完善的模型结构，但是计算时间过长和(或)数据存储过大，难以应用。上述问题的核心就是对分布式水文模型的核心—单元水文模型的研究不够，需要为进一步完善单元水文模型进行研究。 本文采用饱和入渗理论、Saint-Venant方程、Richards方程、Penman-Monteith方程等等构建了以有限差分法求解的适用于森林流域的单元水文模型，并通过实验室模拟试验和坡地径流场资料进行了验证，主要结论为： 通过不同坡度和不同雨强下的室内坡面产汇流实验模拟，表明：该模型模拟的坡面流和壤中流过程与实测过程基本一致，峰现时间、径流历时、峰值流量、出流总量模拟值与实测值的相对误差均较小，基本小于10%。模型的模拟精度较高，实用性较强，为深入研究壤中流机制和改进流域降雨-径流模型提供了理论依据。 通过坡地径流观测场实测资料的验证，表明：该模型模拟的坡面流过程精度较高，累计流量的精度更高于小时过程的精度，离差系数、效率系数、确定系数均较理想，具有应用价值，有助于改善分布式水文模型在森林流域的模拟效果。

Effects of Magnetohydrodynamic Interaction-Zone Position on Shock-Wave/Boundary-Layer Interaction

A third-order weighted essentially nonoscillatory and non-free-parameter difference scheme magnetohydrodynamic solver has been established to investigate the mechanisms of magnetohydrodynamics controlling separation induced by an oblique shock wave impinging on a flat plate. The effects of magnetohydrodynamic interaction-zone location on the separation point, reattachment point, separation-bubble size, and boundary-layer velocity profiles are analyzed. The results show that there exists a best location for the magnetohydrodynamic zone to be applied, where the separation point is delayed the farthest, and the separation bubble is decreased up to about 50% in size compared to the case without magnetohydrodynamic control, which demonstrated the promising of magnetohydrodynamics suppressing the separation induced by shock-wave/boundary-layer interactions.

Spatial resolved temperature measurement based on absorption spectroscopy using a single tunable diode laser

A novel method based on wavelength-multiplexed line-of-sight absorption and profile fitting for non-uniform flow field measurement is reported. A wavelength scanning combing laser temperature and current modulation WMS scheme is used to implement the wavelength-multiplexed-profile fitting method. Second harmonic (2f) signal of eight H2O transitions features near 7,170 cm(-1) are measured in one period using a single tunable diode laser. Spatial resolved temperature distribution upon a CH4/air premixed flat flame burner is obtained. The result validates the feasibility of strategy for non-uniform flow field diagnostics by means of WMS-2f TDLAS.

A finite-element algorithm for modeling variably saturated flows

A general numerical algorithm in the context of finite element scheme is developed to solve Richards’ equation, in which a mass-conservative, modified head based scheme (MHB) is proposed to approximate the governing equation, and mass-lumping techniques are used to keep the numerical simulation stable. The MHB scheme is compared with the modified Picard iteration scheme (MPI) in a ponding infiltration example. Although the MHB scheme is a little inferior to the MPI scheme in respect of mass balance, it is superior in convergence character and simplicity. Fully implicit, explicit and geometric average conductivity methods are performed and compared, the first one is superior in simulation accuracy and can use large time-step size, but the others are superior in iteration efficiency. The algorithm works well over a wide variety of problems, such as infiltration fronts, steady-state and transient water tables, and transient seepage faces, as demonstrated by its performance against published experimental data. The algorithm is presented in sufficient detail to facilitate its implementation.

Mesoscopic simulation of the impregnating process of unidirectional fibrous preform in resin transfer molding

The resin transfer molding has gained popularity in the preparation of fiber-reinforced polymer-matrix composites because of its high efficiency and low pollution. The non-uniform inter-tow and intra-tow flows are regarded as the reason of void formation in RTM. According to the process characteristics, the axisymmetric model was developed to study the interaction between the flow in the inter-tow space and that in the intra-tow space. The flow behavior inside the fiber tows was formulated using Brinkman's equation, while that in the open space around the fiber tows was formulated by Stokes' equation. The volume of fluid (VOF) method was applied to track the flow front, and the effects of filling velocity, resin viscosity, inter-tow dimension and intra-tow permeability on fluid pressure and flow front were analyzed. The results show that the flow front difference between the inter-tow and intra-tow becomes larger with the decrease of intra-tow permeability, as well as the increase of filling velocity and inter-tow dimension.