Elastic Strain Field Distribution of a Self-Organized Growth Lensed-Shaped Quantum Dot by Finite Element Method

The stress and strain fields in self-organized growth coherent quantum dots (QD) structures are investigated in detail by two-dimension and three-dimension finite element analyses for lensed-shaped QDs. The nonobjective isolate quantum dot system is used. The calculated results can be directly used to evaluate the conductive band and valence band confinement potential and strain introduced by the effective mass of the charge carriers in strain QD.

Heterogeneous enantioselective epoxidation catalyzed by Mn(salen) complexes grafted onto mesoporous materials by phenoxy group

Three chiral Mn(salen) complexes were immobilized into different mesoporous material via phenoxy group by a simplified method and they show high activity and enantioselectivity for asymmetric epoxidation of various substituted unfunctional olefins. The heterogeneous Mn(salen) catalysts show comparable ee values for asymmetric epoxidation of styrene and 6-cyano-2,2-dimethylchromene and much higher ee values for epoxidation of a-methylstyrene (heterogeneous 79.7% ee versus homogeneous 26.4% ee) and cis-beta-methylstyrene (heterogeneous 94.9% ee versus homogeneous 25.3% ee for cis-epoxide) than the homogeneous catalysts. These heterogeneous catalysts also remarkably alter the cis/trans ratio of epoxides for asymmetric epoxidation of cis-beta-methylstyrene (heterogeneous 21 versus homogeneous 0.38). The axial tether group does not make a big effect on ee values and the increase in ee value and change in cis/trans ratio are mainly attributed to the axial immobilization mode and the support effect of heterogeneous catalysts. The catalysts keep constant ee values for the recycle tests of eight times for asymmetric epoxidation of a-methylstyrene. And several possibilities were proposed to elucidate the difference in ee values of heterogeneous catalysts from homogeneous catalysts. (c) 2005 Elsevier B.V. All rights reserved.

Finite element analysis on stresses field of normalized layer thickness within ceramic coating on aluminized steel

Multilayer ceramic coatings were fabricated on steel substrate using a combined technique of hot dipping aluminum(HDA) and plasma electrolytic oxidation(PEO). A triangle of normalized layer thickness was created for describing thickness ratios of HDA/PEO coatings. Then, the effect of thickness ratio on stresses field of HDA/PEO coatings subjected to uniform normal contact load was investigated by finite element method. Results show that the surface tensile stress is mainly affected by the thickness ratio of Al layer when the total thickness of coating is unchanged. With the increase of A] layer thickness, the surface tensile stress rises quickly. When Al2O3 layer thickness increases, surface tensile stress is diminished. 'Meanwhile, the maximum shear stress moves rapidly towards internal part of HDA/PEO coatings. Shear stress at the Al2O3/Al interface is minimal when Al2O3 layer and Al layer have the same thickness.

Calculation of propagation loss in photonic crystal waveguides by FDTD technique and Pade approximation

The propagation losses in single-line defect waveguides in a two-dimensional (2D) square-lattice photonic crystal (PC) consisted of infinite dielectric rods and a triangular-lattice photonic crystal slab with air holes are studied by finite-difference time-domain (FDTD) technique and a Pade approximation. The decaying constant beta of the fundamental guided mode is calculated from the mode frequency, the quality factor (Q-factor) and the group velocity v(g) as beta = omega/(2Qv(g)). In the 2D square-lattice photonic crystal waveguide (PCW), the decaying rate ranged from 10(3) to 10(-4) cm(-1) can be reliably obtained from 8 x 10(3)-item FDTD output with the FDTD computing time of 0.386 ps. And at most 1 ps is required for the mode with the Q-factor of 4 x 10(11) and the decaying rate of 10(-7) cm(-1). In the triangular-lattice photonic crystal slab, a 10(4)-item FDTD output is required to obtain a reliable spectrum with the Q-factor of 2.5 x 10(8) and the decaying rate of 0.05 cm(-1). (c) 2004 Elsevier B.V. All rights reserved.

Finite-difference time-domain analysis of deformed square cavity filters with a traveling-wave-like filtering response by mode coupling

An add-drop filter based on a perfect square resonator can realize a maximum of only 25% power dropping because the confined modes are standing-wave modes. By means of mode coupling between two modes with inverse symmetry properties, a traveling-wave-like filtering response is obtained in a two-dimensional single square cavity filter with cut or circular corners by finite-difference time-domain simulation. The optimized deformation parameters for an add-drop filter can be accurately predicted as the overlapping point of the two coupling modes in an isolated deformed square cavity. More than 80% power dropping can be obtained in a deformed square cavity filter with a side length of 3.01 mu m. The free spectral region is decided by the mode spacing between modes, with the sum of the mode indices differing by 1. (c) 2007 Optical Society of America.

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.

Evaluation of the Effectiveness of Representative Methods for Determining Young's Modulus and Hardness from Instrumented Indentation Data

The effectiveness of Oliver & Pharr's (O&P's) method, Cheng & Cheng's (C&C's) method, and a new method developed by our group for estimating Young's modulus and hardness based on instrumented indentation was evaluated for the case of yield stress to reduced Young's modulus ratio (sigma(y)/E-r) >= 4.55 x 10(-4) and hardening coefficient (n) <= 0.45. Dimensional theorem and finite element simulations were applied to produce reference results for this purpose. Both O&P's and C&C's methods overestimated the Young's modulus under some conditions, whereas the error can be controlled within +/- 16% if the formulation was modified with appropriate correction functions. Similar modification was not introduced to our method for determining Young's modulus, while the maximum error of results was around +/- 13%. The errors of hardness values obtained from all the three methods could be even larger and were irreducible with any correction scheme. It is therefore suggested that when hardness values of different materials are concerned, relative comparison of the data obtained from a single standard measurement technique would be more practically useful. It is noted that the ranges of error derived from the analysis could be different if different ranges of material parameters sigma(y)/E-r and n are considered.

Dynamic Characteristics of Spherically Converging Detonation Waves

The spherically converging detonation wave was numerically investigated by solving the one-dimensional multi-component Euler equations in spherical coordinates with a dispersion-controlled dissipative scheme. Finite rate and detailed chemical reaction models were used and numerical solutions were obtained for both a spherical by converging detonation in a stoichiometric hydrogen-oxygen mixture and a spherically focusing shock in air. The results showed that the post-shock pressure approximately arises to the same amplitude in vicinity of the focal point for the two cases, but the post-shock temperature level mainly depends on chemical reactions and molecular dissociations of a gas mixture. While the chemical reaction heat plays an important role in the early stage of detonation wave propagation, gas dissociations dramatically affect the post-shock flow states near the focal point. The maximum pressure and temperature, non-dimensionalized by their initial value, are approximately scaled to the propagation radius over the initial detonation diameter. The post-shock pressure is proportional to the initial pressure of the detonable mixture, and the post-shock temperature is also increased with the initial pressure, but in a much lower rate than that of the post-shock pressure.

Triple-region structure for turbulent-flow in a square duct - a finite-element approach

The Reynolds-averaged Navier-Stokes equations for describing the turbulent flow in a straight square duct are formulated with two different turbulence models. The governing equations are then expanded as a multi-deck structure in a plane perpendicular to the streamwise direction, with each deck characterized by its dominant physical forces as commonly carried out in analytical work using triple-deck expansion. The resulting equations are numerically integrated using higher polynomial (H-P) finite element technique for each cross-sectional plane to be followed by finite difference representation in the streamwise direction until a fully developed state is reached. The computed results using the two different turbulence models show fair agreement with each other, and concur with the vast body of available experimental data. There is also general agreement between our results and the recent numerical works anisotropic k-epsilon turbulence model.

Anisotropic Bragg diffraction of finite-sized volume holographic grating in photorefractive crystals

Anisotropic diffraction of uniform plane wave by finite-sized volume holographic grating in photorefractive crystals is considered. It is found that the anisotropic diffraction can take place when some special conditions are satisfied. The diffracted image is obtained in experiment for the anisotropic Bragg diffraction in Fe:LiNbO3 crystals. A coupled wave analysis is presented to study the properties of anisotropic diffraction. An analytical integral solution for the amplitudes of the diffracted beams is submitted. A trade off between high diffraction efficiency and the deterioration of reconstruction fidelity is analyzed. Numerical evaluations also show that the finite-sized anisotropic volume grating exhibits strong angular and wavelength selectivity. All the results are useful for the optimizing design of VHOE based on finite-sized volume grating structures. (c) 2006 Elsevier GmbH. All rights reserved.

Detection of hepatotoxic Microcystis strains by PCR with intact cells from both culture and environmental samples

Microcystins are small hepatotoxic peptides produced by a number of cyanobacteria. They are synthesized non-ribosomally by multifunctional enzyme complex synthetases encoded by the mcy genes. Primers deduced from mcy genes were designed to discriminate between toxic microcystin-producing strains and non-toxic strains. Thus, PCR-mediated detection of mcy genes could be a simple and efficient means to identify potentially harmful genotypes among cyanobacterial populations in bodies of water. We surveyed the distribution of the mcyB gene in different Microcystis strains isolated from Chinese bodies of water and confirmed that PCR can be reliably used to identify toxic strains. By omitting any DNA purification steps, the modified PCR protocol can greatly simplify the process. Cyanobacterial cells enriched from cultures, field samples, or even sediment samples could be used in the PCR assay. This method proved sensitive enough to detect mcyB genes in samples with less than 2,000 Microcystis cells per ml. Its accuracy, specificity and applicability were confirmed by sequencing selected DNA amplicons, as well as by HPLC, ELISA and mouse bioassay as controls for toxin production of every strain used.

Comparison of Q-factors between TE and TM modes in 3-D microsquares by FDTD simulation

Mode characteristics of three-dimensional (3-D) microsquare resonators are investigated by finite-difference time-domain (FDTD) simulation for the transverse electric (TE)-like and the transverse magnetic (TM)-like modes. For a pillar microsquare with a side length of 2 pin in air, we have Q-factors about 5 X. 103 for TM-like modes at the wavelength of 1550 run, which are one order larger than those of TE-like modes, as vertical refractive index distribution is 3.17/3.4/3.17 and the cororresponding center layer thickness is 0.2 mu m. The mode field patterns show that TM-like modes have much weaker vertical radiation coupling loss than TE-like modes. TM-like modes can have high Q-factors in a microsquare with weak vertical field confinement.

PASSIVATION OF COPPER BY LITHIUM IN P-TYPE GAAS

We report the passivation of two deep copper-related acceptor levels in Cu-diffused p-type GaAs by the group-I element lithium. The deep-level-transient-spectroscopy (DLTS) signals of the well-known Cu-related levels with apparent activation energies 0.15 eV and 0.40 eV disappear in Cu-diffused samples when they are diffused with Li, but can be reactivated by annealing. Photoluminescence measurements show a corresponding disappearance and reappearance of the copper-related luminescence at 1.36 eV. Also we observe with DLT'S an energy level at E(V) + 0.32 eV in the Cu-Li-diff-used samples. The level is neither present in the Cu-diffused samples before Li diffusion nor in Cu-Li-diffused samples after annealing. As the level is not observed in starting materials or solely Li-diffused samples we suggest that it is related to a Cu-Li complex.

Modulation of Photonic Bandgap and Localized States by Dielectric Constant Contrast and Filling Factor in Photonic Crystals

The band structure of 2D photonic crystals (PCs) and localized states resulting from defects are analyzed by finite-difference time-domain (FDTD) technique and Pade approximation. The effect of dielectric constant contrast and filling factor on photonic bandgap (PBG) for perfect PCs and localized states in PCs with point defects are investigated. The resonant frequencies and quality factors are calculated for PCs with different defects. The numerical results show that it is possible to modulate the location, width and number of PBGs and frequencies of the localized states only by changing the dielectric constant contrast and filling factor.

地震数据波动方程反演方法研究

Geophysical inversion is a theory that transforms the observation data into corresponding geophysical models. The goal of seismic inversion is not only wave velocity models, but also the fine structures and dynamic process of interior of the earth, expanding to more parameters such as density, aeolotropism, viscosity and so on. As is known to all, Inversion theory is divided to linear and non-linear inversion theories. In rencent 40 years linear inversion theory has formed into a complete and systematic theory and found extensive applications in practice. While there are still many urgent problems to be solved in non-linear inversion theory and practice. Based on wave equation, this dissertation has been mainly involved in the theoretical research of several non-linear inversion methods: waveform inversion, traveltime inversion and the joint inversion about two methods. The objective of gradient waveform inversion is to find a geologic model, thus synthetic seismograms generated by this geologic model are best fitted to observed seismograms. Contrasting with other inverse methods, waveform inversion uses all characteristics of waveform and has high resolution capacity. But waveform inversion is an interface by interface method. An artificial parameter limit should be provided in each inversion iteration. In addition, waveform information will tend to get stuck in local minima if the starting model is too far from the actual model. Based on velocity scanning in traditional seismic data processing, a layer-by-layer waveform inversion method is developed in this dissertation to deal with weaknesses of waveform inversion. Wave equation is used to calculate the traveltime and derivative (perturbation of traveltime with respect to velocity) in wave-equation traveltime inversion (WT). Unlike traditional ray-based travetime inversion, WT has many advantages. No ray tracing or traveltime picking and no high frequency assumption is necessary and good result can be got while starting model is far from real model. But, comparing with waveform inversion, WT has low resolution. Waveform inversion and WT have complementary advantages and similar algorithm, which proves that the joint inversion is a better inversion method. And another key point which this dissertation emphasizes is how to give fullest play to their complementary advantages on the premise of no increase of storage spaces and amount of calculation. Numerical tests are implemented to prove the feasibility of inversion methods mentioned above in this dissertation. Especially for gradient waveform inversion, field data are inversed. This field data are acquired by our group in Wali park and Shunyi district. Real data processing shows there are many problems for waveform inversion to deal with real data. The matching of synthetic seismograms with observed seismograms and noise cancellation are two primary problems. In conclusion, on the foundation of the former experiences, this dissertation has implemented waveform inversions on the basis of acoustic wave equation and elastic wave equation, traveltime inversion on the basis of acoustic wave equation and traditional combined waveform traveltime inversion. Besides the traditional analysis of inversion theory, there are two innovations: layer by layer inversion of seimic reflection data inversion and rapid method for acoustic wave-equation joint inversion.